#------------------------------------------------------------------------------
#$Date: 2016-02-21 00:03:34 +0000 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/91/2239108.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2239108
loop_
_publ_author_name
'Choi, Sang Beom'
'Jhon, Young Ho'
'Ko, Nakeun'
'Yang, Jin Kuk'
_publ_section_title
;
Poly[bis(\m~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-\k^4^O^1^:O^1'^:O^4^:O^4'^)bis(tetrahydrofuran-\kO)dizinc]
;
_journal_coeditor_code IS5307
_journal_issue 1
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first m3
_journal_paper_doi 10.1107/S1600536813031887
_journal_volume 70
_journal_year 2014
_chemical_formula_iupac '[Zn2 (C8 F4 O4)2 (C4 H8 O)2]'
_chemical_formula_moiety 'C24 H16 F8 O10 Zn2'
_chemical_formula_sum 'C24 H16 F8 O10 Zn2'
_chemical_formula_weight 747.11
_chemical_name_systematic
Poly[bis(\m~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato-\k^4^O^1^:O^1'^:O^4^:O^4'^)bis(tetrahydrofuran-\kO)dizinc]
_space_group_IT_number 14
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_Hall '-P 2yn'
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_cell_angle_alpha 90
_cell_angle_beta 104.0510(10)
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 11.9339(8)
_cell_length_b 12.4369(9)
_cell_length_c 17.9627(12)
_cell_measurement_reflns_used 2025
_cell_measurement_temperature 173(2)
_cell_measurement_theta_max 26.975
_cell_measurement_theta_min 2.338
_cell_volume 2586.3(3)
_computing_cell_refinement 'SAINT (Bruker, 2007)'
_computing_data_collection 'SMART (Bruker, 2007)'
_computing_data_reduction 'SAINT (Bruker, 2007)'
_computing_molecular_graphics 'SHELXTL (Sheldrick, 2008)'
_computing_publication_material 'publCIF (Westrip, 2010)'
_computing_structure_refinement 'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution 'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature 173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type 'SMART APEX CCD'
_diffrn_measurement_method 'phi and omega scans'
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.1105
_diffrn_reflns_limit_h_max 14
_diffrn_reflns_limit_h_min -15
_diffrn_reflns_limit_k_max 13
_diffrn_reflns_limit_k_min -16
_diffrn_reflns_limit_l_max 23
_diffrn_reflns_limit_l_min -23
_diffrn_reflns_number 16096
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 27.873
_diffrn_reflns_theta_min 1.861
_exptl_absorpt_coefficient_mu 1.971
_exptl_absorpt_correction_T_max 0.908
_exptl_absorpt_correction_T_min 0.827
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour colorless
_exptl_crystal_density_diffrn 1.919
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description needle
_exptl_crystal_F_000 1488
_exptl_crystal_size_max 0.100
_exptl_crystal_size_mid 0.050
_exptl_crystal_size_min 0.050
_refine_diff_density_max 0.657
_refine_diff_density_min -0.781
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_all 0.941
_refine_ls_goodness_of_fit_ref 0.941
_refine_ls_hydrogen_treatment constr
_refine_ls_matrix_type full
_refine_ls_number_parameters 444
_refine_ls_number_reflns 5980
_refine_ls_number_restraints 81
_refine_ls_restrained_S_all 0.936
_refine_ls_R_factor_all 0.1613
_refine_ls_R_factor_gt 0.0527
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0519P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.1030
_refine_ls_wR_factor_ref 0.1394
_reflns_number_gt 2859
_reflns_number_total 5980
_reflns_threshold_expression I>2\s(I)
_iucr_refine_instructions_details
;
TITL ZnF4BDC in P2(1)/n
CELL 0.71073 11.9339 12.4369 17.9627 90.000 104.051 90.000
ZERR 4.00 0.0008 0.0009 0.0012 0.000 0.001 0.000
LATT 1
SYMM 0.5-X, 0.5+Y, 0.5-Z
SFAC C H O F Zn
UNIT 96 64 40 32 8
SIZE 0.05 0.05 0.10
TEMP -100
L.S. 26
ACTA
SHEL 999 0.76
BOND $H
BIND O10 C26
BIND O10 C29
CONF
FMAP 2
PLAN 5
DEFS 0.005
SADI O10 C22 O10 C25 O10 C26 O10 C29
SADI C22 C23 C23 C24 C24 C25 C26 C27 C27 C28 C28 C29
SADI C17 C18 C17 C21 C18 C19 C21 C19
ISOR 0.002 C21 C22 > C25
ISOR 0.002 C26 > C29
WGHT 0.051900
FVAR 0.19671 0.47656 0.53126
ZN1 5 0.953914 0.258345 0.231742 11.00000 0.01885 0.02574 =
0.01074 -0.00334 0.00040 -0.00108
ZN2 5 0.743595 0.062953 0.221257 11.00000 0.01962 0.02550 =
0.01224 0.00047 0.00040 -0.00404
F1 4 0.794631 0.313155 -0.019263 11.00000 0.01721 0.06779 =
0.02166 0.01200 0.00212 0.00818
F2 4 0.646808 0.379666 -0.147473 11.00000 0.03387 0.06717 =
0.01459 0.01502 0.00891 0.00410
F3 4 0.347563 0.389321 -0.017645 11.00000 0.01735 0.05836 =
0.02590 0.00558 0.00275 0.00876
F4 4 0.489020 0.308445 0.106983 11.00000 0.02613 0.06137 =
0.01836 0.01175 0.00713 0.00307
F5 4 0.382878 0.067277 0.103564 11.00000 0.03505 0.04726 =
0.01580 0.00170 0.01088 0.01207
F6 4 0.331847 0.150903 -0.038543 11.00000 0.03754 0.03376 =
0.02108 0.00577 0.00377 0.01447
F7 4 1.159970 -0.028312 0.134338 11.00000 0.03274 0.05925 =
0.01889 -0.00151 0.00046 0.01017
F8 4 1.213723 -0.076963 0.002351 11.00000 0.02242 0.05670 =
0.02922 -0.00532 0.00494 0.00868
O1 3 0.680768 0.177442 0.143626 11.00000 0.02190 0.03630 =
0.02533 0.00703 -0.00303 -0.00597
O2 3 0.823316 0.297215 0.144044 11.00000 0.01884 0.03143 =
0.01343 0.00333 -0.00699 -0.00233
O3 3 0.358398 0.505812 -0.165723 11.00000 0.04130 0.02600 =
0.02338 -0.00099 0.00055 0.00760
O4 3 0.371628 0.340413 -0.206470 11.00000 0.02089 0.03007 =
0.01129 0.00202 0.00173 0.00055
O5 3 0.645393 -0.069000 0.201490 11.00000 0.02527 0.02718 =
0.01320 0.00328 -0.00507 -0.00741
O6 3 0.482947 -0.159455 0.169009 11.00000 0.02276 0.02580 =
0.01554 0.00620 0.00260 -0.00456
O7 3 0.853533 0.010323 0.156891 11.00000 0.03164 0.03937 =
0.02610 -0.00977 0.01624 -0.01173
O8 3 1.004812 0.123722 0.183639 11.00000 0.02547 0.03201 =
0.02248 -0.01352 0.00710 -0.00459
C1 1 0.647347 0.308116 0.048697 11.00000 0.01785 0.02475 =
0.01195 0.00107 0.00023 0.00054
C2 1 0.683846 0.330856 -0.017620 11.00000 0.01840 0.03341 =
0.01321 -0.00154 0.00093 -0.00046
C3 1 0.608082 0.367169 -0.082927 11.00000 0.02647 0.02829 =
0.01147 -0.00226 0.00312 -0.00603
C4 1 0.493268 0.387159 -0.085506 11.00000 0.02465 0.02296 =
0.01588 -0.00414 0.00285 0.00527
C5 1 0.459280 0.369813 -0.019137 11.00000 0.01718 0.02347 =
0.01972 -0.00227 0.00008 0.00415
C6 1 0.530661 0.328189 0.045576 11.00000 0.01794 0.03151 =
0.00956 0.00242 -0.00341 0.00055
C7 1 0.724834 0.257401 0.118113 11.00000 0.01930 0.02876 =
0.01219 -0.00198 0.00268 0.00354
C8 1 0.403277 0.416126 -0.157638 11.00000 0.02978 0.01855 =
0.01736 -0.00468 0.00283 -0.00262
C9 1 0.553592 -0.094102 0.154104 11.00000 0.02527 0.01607 =
0.01304 -0.00022 0.00126 0.00035
C10 1 0.526442 -0.045040 0.074155 11.00000 0.01658 0.02600 =
0.01437 -0.00081 -0.00029 -0.00212
C11 1 0.440858 0.032266 0.052816 11.00000 0.02223 0.02074 =
0.01445 0.00033 0.00264 0.00296
C12 1 0.415728 0.075337 -0.020647 11.00000 0.01335 0.01920 =
0.01603 -0.00248 -0.00175 0.00402
C13 1 0.940616 0.054775 0.144993 11.00000 0.03118 0.02514 =
0.02279 -0.00500 0.01169 0.00131
C14 1 0.970709 0.025370 0.069911 11.00000 0.02833 0.02092 =
0.02049 -0.00298 0.00578 0.00058
C15 1 1.080369 -0.011852 0.067591 11.00000 0.02412 0.02848 =
0.01609 -0.00096 0.00066 0.00203
C16 1 1.107708 -0.037127 0.000600 11.00000 0.02456 0.03085 =
0.02237 -0.00556 0.00731 0.00312
O9 3 0.630481 0.124518 0.286692 11.00000 0.03072 0.02609 =
0.03983 -0.00167 0.01866 -0.00227
O10 3 1.075186 0.338308 0.185866 11.00000 0.02434 0.04542 =
0.02509 -0.01015 0.00660 -0.00903
C17 1 0.573185 0.062611 0.332684 11.00000 0.07763 0.04668 =
0.08374 0.00052 0.06145 -0.00342
AFIX 23
PART 1
H17A 2 0.624051 0.003868 0.358457 21.00000 -1.20000
H17B 2 0.501958 0.030382 0.300401 21.00000 -1.20000
AFIX 23
PART 2
H17C 2 0.629853 0.031597 0.377075 -21.00000 -1.20000
H17D 2 0.529380 0.003131 0.302282 -21.00000 -1.20000
PART 0
AFIX 0
PART 1
C18 1 0.544133 0.135654 0.390605 21.00000 0.06175 0.04792 =
0.03844 0.00344 0.03061 -0.00617
AFIX 23
H18A 2 0.602382 0.129694 0.440140 21.00000 -1.20000
H18B 2 0.467273 0.117791 0.398963 21.00000 -1.20000
AFIX 0
PART 2
C21 1 0.493520 0.136848 0.359291 -21.00000 0.04454 0.04483 =
0.04459 -0.00085 0.01196 -0.00076
AFIX 23
H21A 2 0.487928 0.117512 0.411730 -21.00000 -1.20000
H21B 2 0.415331 0.133785 0.324460 -21.00000 -1.20000
AFIX 0
PART 0
C19 1 0.543989 0.245891 0.358548 11.00000 0.08638 0.05023 =
0.07304 -0.00822 0.04568 -0.00331
AFIX 23
PART 1
H19A 2 0.579634 0.297594 0.399346 21.00000 -1.20000
H19B 2 0.464131 0.269607 0.334761 21.00000 -1.20000
AFIX 23
PART 2
H19C 2 0.593886 0.264306 0.409502 -21.00000 -1.20000
H19D 2 0.482567 0.300871 0.344014 -21.00000 -1.20000
PART 0
AFIX 0
C20 1 0.613941 0.238350 0.299003 11.00000 0.05926 0.02956 =
0.05526 -0.00286 0.02638 0.00762
AFIX 23
H20A 2 0.572217 0.273020 0.250581 11.00000 -1.20000
H20B 2 0.689440 0.274601 0.317496 11.00000 -1.20000
AFIX 0
PART 3
C22 1 1.072147 0.337219 0.104379 31.00000 0.03702 0.03712 =
0.03576 0.00047 0.01071 -0.00064
AFIX 23
H22A 2 1.010990 0.385783 0.075715 31.00000 -1.20000
H22B 2 1.057083 0.263680 0.083219 31.00000 -1.20000
AFIX 0
C23 1 1.188930 0.375389 0.098887 31.00000 0.05946 0.06090 =
0.05947 0.00116 0.01709 -0.00147
AFIX 23
H23A 2 1.217676 0.331329 0.061526 31.00000 -1.20000
H23B 2 1.185354 0.451444 0.082207 31.00000 -1.20000
AFIX 0
C24 1 1.266407 0.363670 0.177613 31.00000 0.05621 0.05860 =
0.05766 0.00185 0.01573 -0.00046
AFIX 23
H24A 2 1.300740 0.434023 0.196388 31.00000 -1.20000
H24B 2 1.329763 0.312693 0.176675 31.00000 -1.20000
AFIX 0
C25 1 1.194257 0.322197 0.229203 31.00000 0.04283 0.04490 =
0.04392 -0.00025 0.01096 -0.00121
AFIX 23
H25A 2 1.209943 0.245047 0.240789 31.00000 -1.20000
H25B 2 1.210206 0.362895 0.278013 31.00000 -1.20000
AFIX 0
PART 4
C26 1 1.192254 0.366797 0.227005 -31.00000 0.02729 0.02847 =
0.02903 -0.00028 0.00687 -0.00095
AFIX 23
H26A 2 1.208186 0.347238 0.282003 -31.00000 -1.20000
H26B 2 1.208497 0.444150 0.221905 -31.00000 -1.20000
AFIX 0
C27 1 1.257799 0.297163 0.183934 -31.00000 0.08367 0.08529 =
0.08529 -0.00054 0.02107 0.00099
AFIX 23
H27A 2 1.334346 0.329528 0.186204 -31.00000 -1.20000
H27B 2 1.270224 0.225266 0.208197 -31.00000 -1.20000
AFIX 0
C28 1 1.192277 0.285906 0.101997 -31.00000 0.04978 0.05094 =
0.04995 -0.00138 0.01434 0.00139
AFIX 23
H28A 2 1.189005 0.210044 0.084907 -31.00000 -1.20000
H28B 2 1.226545 0.330452 0.067542 -31.00000 -1.20000
AFIX 0
C29 1 1.075384 0.326460 0.105265 -31.00000 0.04703 0.04722 =
0.04602 0.00041 0.01278 -0.00065
AFIX 23
H29A 2 1.059734 0.396545 0.078634 -31.00000 -1.20000
H29B 2 1.014904 0.274879 0.079927 -31.00000 -1.20000
PART 0
AFIX 0
HKLF 4
REM ZnF4BDC in P2(1)/n
REM R1 = 0.0527 for 2859 Fo > 4sig(Fo) and 0.1613 for all 5980 data
REM 444 parameters refined using 81 restraints
END
WGHT 0.0513 0.0000
REM Highest difference peak 0.657, deepest hole -0.781, 1-sigma level 0.145
Q1 1 1.2586 0.2390 0.1788 11.00000 0.05 0.66
Q2 1 0.4751 -0.1534 0.2397 11.00000 0.05 0.65
Q3 1 0.8972 0.1592 0.2135 11.00000 0.05 0.64
Q4 1 0.8379 0.0586 0.1894 11.00000 0.05 0.58
Q5 1 1.2658 0.3193 0.1623 11.00000 0.05 0.58
;
_cod_data_source_file is5307sup1.cf
_cod_data_source_block I
_cod_original_sg_symbol_H-M 'P 21/n'
_cod_database_code 2239108
_cod_database_fobs_code 2239108
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.95391(6) 0.25834(6) 0.23174(4) 0.0190(2) Uani d 1 . .
Zn Zn2 0.74360(6) 0.06295(6) 0.22126(4) 0.0197(2) Uani d 1 . .
F F1 0.7946(3) 0.3132(4) -0.0193(2) 0.0360(11) Uani d 1 . .
F F2 0.6468(3) 0.3797(4) -0.14747(19) 0.0380(11) Uani d 1 . .
F F3 0.3476(3) 0.3893(3) -0.0176(2) 0.0343(10) Uani d 1 . .
F F4 0.4890(3) 0.3084(3) 0.1070(2) 0.0350(11) Uani d 1 . .
F F5 0.3829(3) 0.0673(3) 0.10356(19) 0.0319(10) Uani d 1 . .
F F6 0.3318(3) 0.1509(3) -0.0385(2) 0.0314(10) Uani d 1 . .
F F7 1.1600(3) -0.0283(3) 0.1343(2) 0.0380(11) Uani d 1 . .
F F8 1.2137(3) -0.0770(3) 0.0024(2) 0.0363(11) Uani d 1 . .
O O1 0.6808(4) 0.1774(4) 0.1436(2) 0.0294(12) Uani d 1 . .
O O2 0.8233(3) 0.2972(4) 0.1440(2) 0.0231(11) Uani d 1 . .
O O3 0.3584(4) 0.5058(4) -0.1657(2) 0.0315(12) Uani d 1 . .
O O4 0.3716(3) 0.3404(4) -0.2065(2) 0.0211(10) Uani d 1 . .
O O5 0.6454(3) -0.0690(4) 0.2015(2) 0.0236(11) Uani d 1 . .
O O6 0.4829(3) -0.1595(4) 0.1690(2) 0.0217(10) Uani d 1 . .
O O7 0.8535(4) 0.0103(4) 0.1569(2) 0.0308(12) Uani d 1 . .
O O8 1.0048(4) 0.1237(4) 0.1836(2) 0.0264(11) Uani d 1 . .
C C1 0.6473(5) 0.3081(5) 0.0487(3) 0.0188(14) Uani d 1 . .
C C2 0.6838(5) 0.3309(6) -0.0176(3) 0.0222(16) Uani d 1 . .
C C3 0.6081(5) 0.3672(5) -0.0829(3) 0.0223(15) Uani d 1 . .
C C4 0.4933(5) 0.3872(5) -0.0855(3) 0.0215(15) Uani d 1 . .
C C5 0.4593(5) 0.3698(5) -0.0191(4) 0.0209(15) Uani d 1 . .
C C6 0.5307(5) 0.3282(5) 0.0456(3) 0.0208(15) Uani d 1 . .
C C7 0.7248(5) 0.2574(6) 0.1181(3) 0.0203(15) Uani d 1 . .
C C8 0.4033(6) 0.4161(5) -0.1576(4) 0.0224(16) Uani d 1 . .
C C9 0.5536(5) -0.0941(5) 0.1541(3) 0.0187(15) Uani d 1 . .
C C10 0.5264(5) -0.0450(5) 0.0742(3) 0.0197(15) Uani d 1 . .
C C11 0.4409(5) 0.0323(5) 0.0528(3) 0.0195(15) Uani d 1 . .
C C12 0.4157(5) 0.0753(5) -0.0206(3) 0.0171(14) Uani d 1 . .
C C13 0.9406(6) 0.0548(6) 0.1450(4) 0.0255(16) Uani d 1 . .
C C14 0.9707(6) 0.0254(5) 0.0699(4) 0.0233(16) Uani d 1 . .
C C15 1.0804(5) -0.0119(6) 0.0676(3) 0.0236(16) Uani d 1 . .
C C16 1.1077(6) -0.0371(6) 0.0006(4) 0.0256(16) Uani d 1 . .
O O9 0.6305(4) 0.1245(4) 0.2867(3) 0.0305(12) Uani d 1 . .
O O10 1.0752(4) 0.3383(4) 0.1859(2) 0.0315(12) Uani d 1 . .
C C17 0.5732(8) 0.0626(7) 0.3327(5) 0.062(3) Uani d 1 . .
H H17A 0.6241 0.0039 0.3585 0.075 Uiso calc 0.48(4) A 1
H H17B 0.5020 0.0304 0.3004 0.075 Uiso calc 0.48(4) A 1
H H17C 0.6299 0.0316 0.3771 0.075 Uiso calc 0.52(4) A 2
H H17D 0.5294 0.0031 0.3023 0.075 Uiso calc 0.52(4) A 2
C C18 0.544(3) 0.1357(7) 0.3906(13) 0.046(8) Uani d 0.48(4) A 1
H H18A 0.6024 0.1297 0.4401 0.055 Uiso calc 0.48(4) A 1
H H18B 0.4673 0.1178 0.3990 0.055 Uiso calc 0.48(4) A 1
C C21 0.4935(15) 0.1368(7) 0.3593(17) 0.044(6) Uani d 0.52(4) A 2
H H21A 0.4879 0.1175 0.4117 0.053 Uiso calc 0.52(4) A 2
H H21B 0.4153 0.1338 0.3245 0.053 Uiso calc 0.52(4) A 2
C C19 0.5440(8) 0.2459(7) 0.3585(5) 0.065(3) Uani d 1 . .
H H19A 0.5796 0.2976 0.3993 0.078 Uiso calc 0.48(4) A 1
H H19B 0.4641 0.2696 0.3348 0.078 Uiso calc 0.48(4) A 1
H H19C 0.5939 0.2643 0.4095 0.078 Uiso calc 0.52(4) A 2
H H19D 0.4826 0.3009 0.3440 0.078 Uiso calc 0.52(4) A 2
C C20 0.6139(7) 0.2383(6) 0.2990(5) 0.046(2) Uani d 1 . .
H H20A 0.5722 0.2730 0.2506 0.055 Uiso calc 1 . .
H H20B 0.6894 0.2746 0.3175 0.055 Uiso calc 1 . .
C C22 1.0721(13) 0.337(3) 0.1044(4) 0.036(13) Uani d 0.531(17) B 3
H H22A 1.0110 0.3858 0.0757 0.044 Uiso calc 0.531(17) B 3
H H22B 1.0571 0.2637 0.0832 0.044 Uiso calc 0.531(17) B 3
C C23 1.1889(11) 0.3754(18) 0.0989(8) 0.059(6) Uani d 0.531(17) B 3
H H23A 1.2177 0.3313 0.0615 0.071 Uiso calc 0.531(17) B 3
H H23B 1.1854 0.4514 0.0822 0.071 Uiso calc 0.531(17) B 3
C C24 1.2664(13) 0.3637(18) 0.1776(7) 0.057(6) Uani d 0.531(17) B 3
H H24A 1.3007 0.4340 0.1964 0.069 Uiso calc 0.531(17) B 3
H H24B 1.3298 0.3127 0.1767 0.069 Uiso calc 0.531(17) B 3
C C25 1.1943(7) 0.3222(17) 0.2292(8) 0.044(5) Uani d 0.531(17) B 3
H H25A 1.2099 0.2450 0.2408 0.053 Uiso calc 0.531(17) B 3
H H25B 1.2102 0.3629 0.2780 0.053 Uiso calc 0.531(17) B 3
C C26 1.1923(7) 0.3668(15) 0.2270(8) 0.028(5) Uani d 0.469(17) B 4
H H26A 1.2082 0.3472 0.2820 0.034 Uiso calc 0.469(17) B 4
H H26B 1.2085 0.4441 0.2219 0.034 Uiso calc 0.469(17) B 4
C C27 1.2578(19) 0.297(2) 0.1839(9) 0.085(8) Uani d 0.469(17) B 4
H H27A 1.3343 0.3295 0.1862 0.102 Uiso calc 0.469(17) B 4
H H27B 1.2702 0.2253 0.2082 0.102 Uiso calc 0.469(17) B 4
C C28 1.1923(13) 0.2859(18) 0.1020(9) 0.050(6) Uani d 0.469(17) B 4
H H28A 1.1890 0.2100 0.0849 0.060 Uiso calc 0.469(17) B 4
H H28B 1.2265 0.3305 0.0675 0.060 Uiso calc 0.469(17) B 4
C C29 1.0754(15) 0.326(3) 0.1053(5) 0.046(18) Uani d 0.469(17) B 4
H H29A 1.0597 0.3965 0.0786 0.056 Uiso calc 0.469(17) B 4
H H29B 1.0149 0.2749 0.0799 0.056 Uiso calc 0.469(17) B 4
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Zn1 0.0188(4) 0.0257(5) 0.0107(3) -0.0033(3) 0.0004(3) -0.0011(4)
Zn2 0.0196(4) 0.0255(5) 0.0122(4) 0.0005(4) 0.0004(3) -0.0040(4)
F1 0.017(2) 0.068(3) 0.022(2) 0.012(2) 0.0021(17) 0.008(2)
F2 0.034(2) 0.067(3) 0.0146(19) 0.015(2) 0.0089(18) 0.004(2)
F3 0.017(2) 0.058(3) 0.026(2) 0.006(2) 0.0027(17) 0.009(2)
F4 0.026(2) 0.061(3) 0.018(2) 0.012(2) 0.0071(18) 0.003(2)
F5 0.035(2) 0.047(3) 0.0158(18) 0.0017(19) 0.0109(17) 0.012(2)
F6 0.038(2) 0.034(3) 0.021(2) 0.0058(18) 0.0038(18) 0.0145(19)
F7 0.033(2) 0.059(3) 0.019(2) -0.002(2) 0.0005(18) 0.010(2)
F8 0.022(2) 0.057(3) 0.029(2) -0.005(2) 0.0049(18) 0.009(2)
O1 0.022(3) 0.036(3) 0.025(3) 0.007(2) -0.003(2) -0.006(2)
O2 0.019(2) 0.031(3) 0.013(2) 0.003(2) -0.0070(19) -0.002(2)
O3 0.041(3) 0.026(3) 0.023(3) -0.001(2) 0.001(2) 0.008(2)
O4 0.021(2) 0.030(3) 0.011(2) 0.002(2) 0.0017(19) 0.001(2)
O5 0.025(2) 0.027(3) 0.013(2) 0.003(2) -0.0051(19) -0.007(2)
O6 0.023(2) 0.026(3) 0.016(2) 0.006(2) 0.0026(19) -0.005(2)
O7 0.032(3) 0.039(3) 0.026(3) -0.010(2) 0.016(2) -0.012(2)
O8 0.025(3) 0.032(3) 0.022(2) -0.014(2) 0.007(2) -0.005(2)
C1 0.018(3) 0.025(4) 0.012(3) 0.001(3) 0.000(3) 0.001(3)
C2 0.018(3) 0.033(4) 0.013(3) -0.002(3) 0.001(3) 0.000(3)
C3 0.026(4) 0.028(4) 0.011(3) -0.002(3) 0.003(3) -0.006(3)
C4 0.025(4) 0.023(4) 0.016(3) -0.004(3) 0.003(3) 0.005(3)
C5 0.017(3) 0.023(4) 0.020(3) -0.002(3) 0.000(3) 0.004(3)
C6 0.018(3) 0.032(4) 0.010(3) 0.002(3) -0.003(3) 0.001(3)
C7 0.019(3) 0.029(4) 0.012(3) -0.002(3) 0.003(3) 0.004(3)
C8 0.030(4) 0.019(4) 0.017(3) -0.005(3) 0.003(3) -0.003(3)
C9 0.025(4) 0.016(4) 0.013(3) 0.000(3) 0.001(3) 0.000(3)
C10 0.017(3) 0.026(4) 0.014(3) -0.001(3) 0.000(3) -0.002(3)
C11 0.022(3) 0.021(4) 0.014(3) 0.000(3) 0.003(3) 0.003(3)
C12 0.013(3) 0.019(4) 0.016(3) -0.002(3) -0.002(3) 0.004(3)
C13 0.031(4) 0.025(4) 0.023(4) -0.005(3) 0.012(3) 0.001(3)
C14 0.028(4) 0.021(4) 0.020(3) -0.003(3) 0.006(3) 0.001(3)
C15 0.024(4) 0.028(4) 0.016(3) -0.001(3) 0.001(3) 0.002(3)
C16 0.025(4) 0.031(5) 0.022(4) -0.006(3) 0.007(3) 0.003(3)
O9 0.031(3) 0.026(3) 0.040(3) -0.002(2) 0.019(2) -0.002(2)
O10 0.024(3) 0.045(3) 0.025(3) -0.010(2) 0.007(2) -0.009(2)
C17 0.078(7) 0.047(6) 0.084(7) 0.001(5) 0.061(6) -0.003(5)
C18 0.062(18) 0.048(13) 0.038(12) 0.003(9) 0.031(13) -0.006(10)
C21 0.045(6) 0.045(6) 0.045(6) -0.001(2) 0.012(2) -0.001(2)
C19 0.086(7) 0.050(7) 0.073(6) -0.008(6) 0.046(6) -0.003(6)
C20 0.059(5) 0.030(5) 0.055(5) -0.003(4) 0.026(4) 0.008(4)
C22 0.037(13) 0.037(13) 0.036(13) 0.000(2) 0.011(4) -0.001(2)
C23 0.059(6) 0.061(6) 0.059(6) 0.001(2) 0.017(2) -0.001(2)
C24 0.056(6) 0.059(6) 0.058(6) 0.002(2) 0.016(2) 0.000(2)
C25 0.043(5) 0.045(5) 0.044(5) 0.000(2) 0.011(2) -0.001(2)
C26 0.027(5) 0.028(5) 0.029(5) 0.000(2) 0.007(2) -0.001(2)
C27 0.084(9) 0.085(9) 0.085(9) -0.001(2) 0.021(3) 0.001(2)
C28 0.050(6) 0.051(6) 0.050(6) -0.001(2) 0.014(2) 0.001(2)
C29 0.047(18) 0.047(18) 0.046(18) 0.000(2) 0.013(5) -0.001(2)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O2 Zn1 O6 . 2_655 128.65(18)
O2 Zn1 O8 . . 96.92(18)
O6 Zn1 O8 2_655 . 134.23(17)
O2 Zn1 O4 . 4_666 100.81(17)
O6 Zn1 O4 2_655 4_666 87.19(16)
O8 Zn1 O4 . 4_666 88.21(18)
O2 Zn1 O10 . . 93.25(17)
O6 Zn1 O10 2_655 . 87.80(17)
O8 Zn1 O10 . . 85.27(18)
O4 Zn1 O10 4_666 . 165.12(17)
O5 Zn2 O1 . . 110.81(17)
O5 Zn2 O7 . . 93.75(18)
O1 Zn2 O7 . . 90.97(19)
O5 Zn2 O4 . 4_666 151.45(16)
O1 Zn2 O4 . 4_666 96.62(18)
O7 Zn2 O4 . 4_666 93.52(16)
O5 Zn2 O9 . . 88.31(18)
O1 Zn2 O9 . . 87.05(18)
O7 Zn2 O9 . . 177.55(19)
O4 Zn2 O9 4_666 . 85.28(16)
O5 Zn2 O3 . 4_666 92.81(16)
O1 Zn2 O3 . 4_666 155.73(18)
O7 Zn2 O3 . 4_666 93.03(17)
O4 Zn2 O3 4_666 4_666 59.25(17)
O9 Zn2 O3 . 4_666 88.19(17)
C7 O1 Zn2 . . 133.9(4)
C7 O2 Zn1 . . 132.9(4)
C8 O3 Zn2 . 4_565 85.2(4)
C8 O4 Zn1 . 4_565 135.1(4)
C8 O4 Zn2 . 4_565 92.9(4)
Zn1 O4 Zn2 4_565 4_565 112.04(18)
C9 O5 Zn2 . . 134.8(4)
C9 O6 Zn1 . 2_645 113.0(4)
C13 O7 Zn2 . . 129.1(4)
C13 O8 Zn1 . . 126.5(4)
C2 C1 C6 . . 116.3(5)
C2 C1 C7 . . 122.6(5)
C6 C1 C7 . . 120.9(5)
F1 C2 C3 . . 118.8(5)
F1 C2 C1 . . 119.8(5)
C3 C2 C1 . . 121.3(6)
F2 C3 C2 . . 118.5(6)
F2 C3 C4 . . 119.4(5)
C2 C3 C4 . . 122.0(6)
C5 C4 C3 . . 116.4(6)
C5 C4 C8 . . 119.1(5)
C3 C4 C8 . . 124.3(6)
F3 C5 C4 . . 119.2(5)
F3 C5 C6 . . 117.5(6)
C4 C5 C6 . . 123.1(6)
F4 C6 C5 . . 119.4(5)
F4 C6 C1 . . 119.9(5)
C5 C6 C1 . . 120.6(6)
O2 C7 O1 . . 127.7(6)
O2 C7 C1 . . 118.4(6)
O1 C7 C1 . . 114.0(5)
O3 C8 O4 . . 122.6(6)
O3 C8 C4 . . 121.0(6)
O4 C8 C4 . . 116.2(6)
O6 C9 O5 . . 122.8(5)
O6 C9 C10 . . 117.7(5)
O5 C9 C10 . . 119.5(6)
C12 C10 C11 3_655 . 117.4(6)
C12 C10 C9 3_655 . 121.7(6)
C11 C10 C9 . . 120.8(6)
F5 C11 C12 . . 119.5(5)
F5 C11 C10 . . 120.2(5)
C12 C11 C10 . . 120.3(6)
F6 C12 C10 . 3_655 119.7(5)
F6 C12 C11 . . 118.1(5)
C10 C12 C11 3_655 . 122.2(6)
O7 C13 O8 . . 129.8(6)
O7 C13 C14 . . 115.7(6)
O8 C13 C14 . . 114.5(6)
C16 C14 C15 3_755 . 115.9(6)
C16 C14 C13 3_755 . 122.1(6)
C15 C14 C13 . . 122.0(6)
F7 C15 C16 . . 118.8(6)
F7 C15 C14 . . 119.0(6)
C16 C15 C14 . . 122.1(6)
F8 C16 C15 . . 119.3(6)
F8 C16 C14 . 3_755 118.7(6)
C15 C16 C14 . 3_755 122.0(6)
C17 O9 C20 . . 109.7(5)
C17 O9 Zn2 . . 125.7(4)
C20 O9 Zn2 . . 124.1(4)
C29 O10 C26 . . 107.2(11)
C22 O10 C25 . . 108.6(9)
C22 O10 Zn1 . . 122.9(8)
C29 O10 Zn1 . . 120.9(12)
C26 O10 Zn1 . . 126.0(8)
C25 O10 Zn1 . . 113.8(6)
O9 C17 C18 . . 107.7(8)
O9 C17 C21 . . 106.6(9)
O9 C17 H17A . . 110.2
C18 C17 H17A . . 110.2
O9 C17 H17B . . 110.2
C18 C17 H17B . . 110.2
H17A C17 H17B . . 108.5
O9 C17 H17C . . 110.4
C21 C17 H17C . . 110.4
O9 C17 H17D . . 110.4
C21 C17 H17D . . 110.4
H17C C17 H17D . . 108.6
C17 C18 C19 . . 105.7(9)
C17 C18 H18A . . 110.6
C19 C18 H18A . . 110.6
C17 C18 H18B . . 110.6
C19 C18 H18B . . 110.6
H18A C18 H18B . . 108.7
C17 C21 C19 . . 105.8(9)
C17 C21 H21A . . 110.6
C19 C21 H21A . . 110.6
C17 C21 H21B . . 110.6
C19 C21 H21B . . 110.6
H21A C21 H21B . . 108.7
C21 C19 C20 . . 104.2(9)
C18 C19 C20 . . 105.5(8)
C18 C19 H19A . . 110.6
C20 C19 H19A . . 110.6
C18 C19 H19B . . 110.6
C20 C19 H19B . . 110.6
H19A C19 H19B . . 108.8
C21 C19 H19C . . 110.9
C20 C19 H19C . . 110.9
C21 C19 H19D . . 110.9
C20 C19 H19D . . 110.9
H19C C19 H19D . . 108.9
O9 C20 C19 . . 106.7(6)
O9 C20 H20A . . 110.4
C19 C20 H20A . . 110.4
O9 C20 H20B . . 110.4
C19 C20 H20B . . 110.4
H20A C20 H20B . . 108.6
O10 C22 C23 . . 105.5(10)
O10 C22 H22A . . 110.6
C23 C22 H22A . . 110.6
O10 C22 H22B . . 110.6
C23 C22 H22B . . 110.6
H22A C22 H22B . . 108.8
C24 C23 C22 . . 106.1(12)
C24 C23 H23A . . 110.5
C22 C23 H23A . . 110.5
C24 C23 H23B . . 110.5
C22 C23 H23B . . 110.5
H23A C23 H23B . . 108.7
C23 C24 C25 . . 107.5(11)
C23 C24 H24A . . 110.2
C25 C24 H24A . . 110.2
C23 C24 H24B . . 110.2
C25 C24 H24B . . 110.2
H24A C24 H24B . . 108.5
O10 C25 C24 . . 104.7(9)
O10 C25 H25A . . 110.8
C24 C25 H25A . . 110.8
O10 C25 H25B . . 110.8
C24 C25 H25B . . 110.8
H25A C25 H25B . . 108.9
O10 C26 C27 . . 98.8(11)
O10 C26 H26A . . 112.0
C27 C26 H26A . . 112.0
O10 C26 H26B . . 112.0
C27 C26 H26B . . 112.0
H26A C26 H26B . . 109.7
C28 C27 C26 . . 110.3(14)
C28 C27 H27A . . 109.6
C26 C27 H27A . . 109.6
C28 C27 H27B . . 109.6
C26 C27 H27B . . 109.6
H27A C27 H27B . . 108.1
C27 C28 C29 . . 101.5(14)
C27 C28 H28A . . 111.5
C29 C28 H28A . . 111.5
C27 C28 H28B . . 111.5
C29 C28 H28B . . 111.5
H28A C28 H28B . . 109.3
O10 C29 C28 . . 107.4(11)
O10 C29 H29A . . 110.2
C28 C29 H29A . . 110.2
O10 C29 H29B . . 110.2
C28 C29 H29B . . 110.2
H29A C29 H29B . . 108.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Zn1 O2 . 1.988(4)
Zn1 O6 2_655 2.034(4)
Zn1 O8 . 2.043(4)
Zn1 O4 4_666 2.058(4)
Zn1 O10 . 2.084(4)
Zn2 O5 . 1.998(4)
Zn2 O1 . 2.007(5)
Zn2 O7 . 2.055(4)
Zn2 O4 4_666 2.122(4)
Zn2 O9 . 2.136(4)
Zn2 O3 4_666 2.319(4)
F1 C2 . 1.348(7)
F2 C3 . 1.357(7)
F3 C5 . 1.362(7)
F4 C6 . 1.338(7)
F5 C11 . 1.344(7)
F6 C12 . 1.354(7)
F7 C15 . 1.352(6)
F8 C16 . 1.352(7)
O1 C7 . 1.262(7)
O2 C7 . 1.256(7)
O3 C8 . 1.231(7)
O4 C8 . 1.280(7)
O5 C9 . 1.253(7)
O6 C9 . 1.246(7)
O7 C13 . 1.241(7)
O8 C13 . 1.243(7)
C1 C2 . 1.393(8)
C1 C6 . 1.402(8)
C1 C7 . 1.499(8)
C2 C3 . 1.372(8)
C3 C4 . 1.382(8)
C4 C5 . 1.366(8)
C4 C8 . 1.512(8)
C5 C6 . 1.365(8)
C9 C10 . 1.521(8)
C10 C12 3_655 1.365(8)
C10 C11 . 1.387(8)
C11 C12 . 1.388(8)
C12 C10 3_655 1.365(8)
C13 C14 . 1.522(8)
C14 C16 3_755 1.388(8)
C14 C15 . 1.398(8)
C15 C16 . 1.358(8)
C16 C14 3_755 1.388(8)
O9 C17 . 1.420(9)
O9 C20 . 1.454(8)
O10 C22 . 1.455(6)
O10 C29 . 1.456(6)
O10 C26 . 1.457(6)
O10 C25 . 1.459(6)
C17 C18 . 1.484(9)
C17 C21 . 1.485(9)
C17 H17A . 0.9900
C17 H17B . 0.9900
C17 H17C . 0.9900
C17 H17D . 0.9900
C18 C19 . 1.487(9)
C18 H18A . 0.9900
C18 H18B . 0.9900
C21 C19 . 1.485(9)
C21 H21A . 0.9900
C21 H21B . 0.9900
C19 C20 . 1.511(10)
C19 H19A . 0.9900
C19 H19B . 0.9900
C19 H19C . 0.9900
C19 H19D . 0.9900
C20 H20A . 0.9900
C20 H20B . 0.9900
C22 C23 . 1.498(8)
C22 H22A . 0.9900
C22 H22B . 0.9900
C23 C24 . 1.497(8)
C23 H23A . 0.9900
C23 H23B . 0.9900
C24 C25 . 1.501(8)
C24 H24A . 0.9900
C24 H24B . 0.9900
C25 H25A . 0.9900
C25 H25B . 0.9900
C26 C27 . 1.501(8)
C26 H26A . 0.9900
C26 H26B . 0.9900
C27 C28 . 1.496(8)
C27 H27A . 0.9900
C27 H27B . 0.9900
C28 C29 . 1.498(8)
C28 H28A . 0.9900
C28 H28B . 0.9900
C29 H29A . 0.9900
C29 H29B . 0.9900
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C6 C1 C2 F1 . . -179.6(6)
C7 C1 C2 F1 . . -4.0(10)
C6 C1 C2 C3 . . -2.3(10)
C7 C1 C2 C3 . . 173.3(6)
F1 C2 C3 F2 . . 2.6(10)
C1 C2 C3 F2 . . -174.8(6)
F1 C2 C3 C4 . . -180.0(6)
C1 C2 C3 C4 . . 2.7(11)
F2 C3 C4 C5 . . 178.0(6)
C2 C3 C4 C5 . . 0.6(10)
F2 C3 C4 C8 . . 4.0(10)
C2 C3 C4 C8 . . -173.4(6)
C3 C4 C5 F3 . . 179.2(6)
C8 C4 C5 F3 . . -6.4(10)
C3 C4 C5 C6 . . -4.3(10)
C8 C4 C5 C6 . . 170.0(6)
F3 C5 C6 F4 . . 0.0(9)
C4 C5 C6 F4 . . -176.5(6)
F3 C5 C6 C1 . . -178.7(6)
C4 C5 C6 C1 . . 4.8(11)
C2 C1 C6 F4 . . -180.0(6)
C7 C1 C6 F4 . . 4.3(10)
C2 C1 C6 C5 . . -1.3(10)
C7 C1 C6 C5 . . -177.0(6)
Zn1 O2 C7 O1 . . 0.7(10)
Zn1 O2 C7 C1 . . -179.3(4)
Zn2 O1 C7 O2 . . -11.3(11)
Zn2 O1 C7 C1 . . 168.7(4)
C2 C1 C7 O2 . . 49.9(9)
C6 C1 C7 O2 . . -134.7(7)
C2 C1 C7 O1 . . -130.1(7)
C6 C1 C7 O1 . . 45.3(9)
Zn2 O3 C8 O4 4_565 . 0.1(6)
Zn2 O3 C8 C4 4_565 . -175.0(6)
Zn1 O4 C8 O3 4_565 . 125.7(6)
Zn2 O4 C8 O3 4_565 . -0.1(7)
Zn1 O4 C8 C4 4_565 . -59.0(8)
Zn2 O4 C8 C4 4_565 . 175.3(5)
Zn1 O4 C8 Zn2 4_565 4_565 125.8(5)
C5 C4 C8 O3 . . 73.2(9)
C3 C4 C8 O3 . . -113.0(8)
C5 C4 C8 O4 . . -102.3(7)
C3 C4 C8 O4 . . 71.6(9)
Zn1 O6 C9 O5 2_645 . -11.4(8)
Zn1 O6 C9 C10 2_645 . 167.6(4)
Zn2 O5 C9 O6 . . -149.5(5)
Zn2 O5 C9 C10 . . 31.5(9)
O6 C9 C10 C12 . 3_655 -106.3(7)
O5 C9 C10 C12 . 3_655 72.7(8)
O6 C9 C10 C11 . . 73.4(8)
O5 C9 C10 C11 . . -107.6(7)
C12 C10 C11 F5 3_655 . -178.4(6)
C9 C10 C11 F5 . . 2.0(9)
C12 C10 C11 C12 3_655 . 0.6(10)
C9 C10 C11 C12 . . -179.1(6)
F5 C11 C12 F6 . . -0.7(9)
C10 C11 C12 F6 . . -179.7(5)
F5 C11 C12 C10 . 3_655 178.3(6)
C10 C11 C12 C10 . 3_655 -0.6(11)
Zn2 O7 C13 O8 . . 23.7(11)
Zn2 O7 C13 C14 . . -152.8(4)
Zn1 O8 C13 O7 . . -45.1(11)
Zn1 O8 C13 C14 . . 131.4(5)
O7 C13 C14 C16 . 3_755 55.4(9)
O8 C13 C14 C16 . 3_755 -121.6(7)
O7 C13 C14 C15 . . -126.7(7)
O8 C13 C14 C15 . . 56.2(9)
C16 C14 C15 F7 3_755 . -178.0(6)
C13 C14 C15 F7 . . 4.0(10)
C16 C14 C15 C16 3_755 . -1.4(11)
C13 C14 C15 C16 . . -179.3(7)
F7 C15 C16 F8 . . -0.6(10)
C14 C15 C16 F8 . . -177.3(6)
F7 C15 C16 C14 . 3_755 178.1(6)
C14 C15 C16 C14 . 3_755 1.4(12)
C20 O9 C17 C18 . . -14.5(17)
Zn2 O9 C17 C18 . . 157.5(15)
C20 O9 C17 C21 . . 14.8(14)
Zn2 O9 C17 C21 . . -173.2(11)
O9 C17 C18 C19 . . 22(3)
C21 C17 C18 C19 . . -70.7(8)
O9 C17 C21 C19 . . -26(2)
C18 C17 C21 C19 . . 70.9(8)
C17 C21 C19 C18 . . -70.7(8)
C17 C21 C19 C20 . . 26(2)
C17 C18 C19 C21 . . 70.8(8)
C17 C18 C19 C20 . . -20(3)
C17 O9 C20 C19 . . 1.6(9)
Zn2 O9 C20 C19 . . -170.6(5)
C21 C19 C20 O9 . . -17.1(14)
C18 C19 C20 O9 . . 11.8(17)
C29 O10 C22 C23 . . -94(13)
C26 O10 C22 C23 . . -5(2)
C25 O10 C22 C23 . . -28(3)
Zn1 O10 C22 C23 . . -164.3(13)
O10 C22 C23 C24 . . 18(3)
C22 C23 C24 C25 . . -2(2)
C22 O10 C25 C24 . . 27(2)
C29 O10 C25 C24 . . 32(2)
C26 O10 C25 C24 . . -64(2)
Zn1 O10 C25 C24 . . 167.3(13)
C23 C24 C25 O10 . . -15(2)
C22 O10 C26 C27 . . -44(2)
C29 O10 C26 C27 . . -38(2)
C25 O10 C26 C27 . . 53(2)
Zn1 O10 C26 C27 . . 114.9(15)
O10 C26 C27 C28 . . 32(3)
C26 C27 C28 C29 . . -14(3)
C22 O10 C29 C28 . . 124(15)
C26 O10 C29 C28 . . 32(3)
C25 O10 C29 C28 . . 9(3)
Zn1 O10 C29 C28 . . -122.8(17)
C27 C28 C29 O10 . . -10(3)