#------------------------------------------------------------------------------
#$Date: 2016-02-16 16:55:33 +0000 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/00/01/8000135.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_8000135
loop_
_publ_author_name
'Fukuda, Yutaka'
'Sakumoto, Maiko'
'Tanabe, Yoshiaki'
'Ishii, Youichi'
'Suzuki, Wakako'
'Nakao, Akiko'
_publ_section_title
;
 Observation of the New \k2C,O:\k2C′,O′ Coordination Mode of
 1,1,2,2-Tetraacetylethanato Ligand in a Dinuclear
 1,1,1,5,5,5-Hexafluoroacetylacetonato Palladium(II) Complex
;
_journal_issue                   8
_journal_name_full               'Chemistry Letters'
_journal_page_first              936
_journal_paper_doi               10.1246/cl.2006.936
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         'C20 H14 F12 O8 Pd2 '
_chemical_formula_sum            'C20 H14 F12 O8 Pd2'
_chemical_formula_weight         823.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 101.98(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.88(2)
_cell_length_b                   11.03(3)
_cell_length_c                   21.97(7)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      32.0
_cell_measurement_theta_min      1.8
_cell_volume                     2579(12)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.7689
_diffrn_measured_fraction_theta_max 0.7689
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            17650
_diffrn_reflns_theta_full        31.82
_diffrn_reflns_theta_max         31.82
_exptl_absorpt_coefficient_mu    1.526
_exptl_absorpt_correction_T_max  0.466
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.120
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.85
_refine_ls_extinction_coef       275.3(12)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     394
_refine_ls_number_reflns         6124
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[12.3500\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0720
_reflns_number_gt                5760
_reflns_number_total             6124
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            35-936sup1.cif
_cod_data_source_block           '_[{Pd(hfac)}2(taet)]'
_cod_original_cell_volume        2579.1(12)
_cod_original_formula_sum        'C20 H14 F12 O8 Pd2 '
_cod_database_code               8000135
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd(1) Pd 0.42346(2) 0.52368(3) 0.219750(10) 0.01881(7) Uani 1.00 1 d .
Pd(2) Pd 0.39897(2) 0.73114(3) 0.091090(10) 0.01960(7) Uani 1.00 1 d .
F(1) F 0.5859(2) 0.1349(2) 0.20983(13) 0.0429(8) Uani 1.00 1 d .
F(2) F 0.6369(2) 0.1293(2) 0.3099(1) 0.0493(8) Uani 1.00 1 d .
F(3) F 0.7686(3) 0.1989(3) 0.2588(2) 0.0680(11) Uani 1.00 1 d .
F(4) F 0.6381(3) 0.5627(3) 0.43056(13) 0.0714(11) Uani 1.00 1 d .
F(5) F 0.7188(3) 0.6888(3) 0.3752(2) 0.0775(11) Uani 1.00 1 d .
F(6) F 0.8163(3) 0.5251(2) 0.40607(11) 0.0479(8) Uani 1.00 1 d .
F(7) F 0.6588(3) 0.9159(3) -0.04203(13) 0.0506(9) Uani 1.00 1 d .
F(8) F 0.7722(2) 0.8145(3) 0.03274(12) 0.0437(8) Uani 1.00 1 d .
F(9) F 0.7202(2) 0.7330(3) -0.05722(12) 0.0497(9) Uani 1.00 1 d .
F(10) F 0.1700(2) 0.5767(3) -0.09226(11) 0.0420(7) Uani 1.00 1 d .
F(11) F 0.3114(3) 0.4410(3) -0.0701(1) 0.0792(11) Uani 1.00 1 d .
F(12) F 0.3176(3) 0.5741(3) -0.14008(12) 0.0532(9) Uani 1.00 1 d .
O(1) O 0.2896(2) 0.4774(2) 0.14615(12) 0.0250(7) Uani 1.00 1 d .
O(2) O 0.4703(2) 0.8140(2) 0.17126(11) 0.0219(7) Uani 1.00 1 d .
O(3) O 0.1816(3) 0.8744(3) 0.16358(13) 0.0330(8) Uani 1.00 1 d .
O(4) O 0.1321(3) 0.6258(2) 0.22107(13) 0.0296(8) Uani 1.00 1 d .
O(5) O 0.5033(2) 0.3522(2) 0.22231(12) 0.0232(7) Uani 1.00 1 d .
O(6) O 0.5424(2) 0.5761(2) 0.29693(11) 0.0246(7) Uani 1.00 1 d .
O(7) O 0.5475(2) 0.7881(2) 0.05368(12) 0.0245(7) Uani 1.00 1 d .
O(8) O 0.3194(2) 0.6434(2) 0.01295(12) 0.0266(7) Uani 1.00 1 d .
C(1) C 0.1098(4) 0.5288(4) 0.0708(2) 0.0349(11) Uani 1.00 1 d .
C(2) C 0.2217(3) 0.5622(4) 0.1187(2) 0.0226(9) Uani 1.00 1 d .
C(3) C 0.2613(3) 0.6862(3) 0.1385(2) 0.0206(9) Uani 1.00 1 d .
C(4) C 0.1742(4) 0.7963(4) 0.1244(2) 0.0291(11) Uani 1.00 1 d .
C(5) C 0.0867(4) 0.8106(4) 0.0626(2) 0.0406(13) Uani 1.00 1 d .
C(6) C 0.3299(3) 0.6872(3) 0.2075(2) 0.0202(9) Uani 1.00 1 d .
C(7) C 0.2356(4) 0.6636(4) 0.2473(2) 0.0236(10) Uani 1.00 1 d .
C(8) C 0.2666(4) 0.6793(4) 0.3159(2) 0.0308(11) Uani 1.00 1 d .
C(9) C 0.4244(3) 0.7833(3) 0.2174(2) 0.0205(9) Uani 1.00 1 d .
C(10) C 0.4733(4) 0.8469(4) 0.2766(2) 0.0282(10) Uani 1.00 1 d .
C(11) C 0.6453(4) 0.1945(4) 0.2585(2) 0.0342(12) Uani 1.00 1 d .
C(12) C 0.5969(4) 0.3231(3) 0.2652(2) 0.0241(10) Uani 1.00 1 d .
C(13) C 0.6623(4) 0.3913(4) 0.3134(2) 0.0286(10) Uani 1.00 1 d .
C(14) C 0.6294(4) 0.5091(3) 0.3266(2) 0.0260(10) Uani 1.00 1 d .
C(15) C 0.7016(5) 0.5694(4) 0.3851(2) 0.0436(13) Uani 1.00 1 d .
C(16) C 0.6781(4) 0.8070(4) -0.0180(2) 0.0317(11) Uani 1.00 1 d .
C(17) C 0.5595(4) 0.7575(3) 0.0008(2) 0.0240(10) Uani 1.00 1 d .
C(18) C 0.4804(4) 0.6859(4) -0.0440(2) 0.0267(10) Uani 1.00 1 d .
C(19) C 0.3697(3) 0.6357(3) -0.0333(2) 0.0222(9) Uani 1.00 1 d .
C(20) C 0.2918(4) 0.5569(4) -0.0855(2) 0.0296(11) Uani 1.00 1 d .
H(1) H 0.1325 0.5250 0.0314 0.041 Uiso 1.00 1 c R
H(2) H 0.0452 0.5872 0.0695 0.041 Uiso 1.00 1 c R
H(3) H 0.0804 0.4516 0.0807 0.041 Uiso 1.00 1 c R
H(4) H 0.0073 0.7768 0.0644 0.047 Uiso 1.00 1 c R
H(5) H 0.1200 0.7702 0.0314 0.047 Uiso 1.00 1 c R
H(6) H 0.0771 0.8944 0.0528 0.047 Uiso 1.00 1 c R
H(7) H 0.2430 0.7580 0.3267 0.038 Uiso 1.00 1 c R
H(8) H 0.3544 0.6685 0.3306 0.038 Uiso 1.00 1 c R
H(9) H 0.2223 0.6202 0.3343 0.038 Uiso 1.00 1 c R
H(10) H 0.5451 0.8062 0.2996 0.033 Uiso 1.00 1 c R
H(11) H 0.4099 0.8496 0.3004 0.033 Uiso 1.00 1 c R
H(12) H 0.4957 0.9271 0.2675 0.033 Uiso 1.00 1 c R
H(13) H 0.7333 0.3563 0.3400 0.034 Uiso 1.00 1 c R
H(14) H 0.5034 0.6723 -0.0828 0.031 Uiso 1.00 1 c R
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
Pd(1) 0.0190(1) 0.0173(2) 0.0196(1) -0.00027(10) 0.00290(10) -0.00133(10)
Pd(2) 0.0157(1) 0.0229(2) 0.0196(1) -0.00236(10) 0.00223(10) 0.00013(11)
F(1) 0.031(1) 0.032(1) 0.064(2) 0.0034(11) 0.0058(13) -0.0165(13)
F(2) 0.041(2) 0.030(1) 0.069(2) 0.0009(12) -0.009(1) 0.0127(13)
F(3) 0.021(1) 0.059(2) 0.127(3) -0.0001(13) 0.020(2) -0.044(2)
F(4) 0.070(2) 0.104(3) 0.033(2) 0.033(2) -0.005(2) -0.020(2)
F(5) 0.090(3) 0.033(2) 0.078(2) 0.005(2) -0.057(2) -0.014(2)
F(6) 0.044(2) 0.049(2) 0.038(1) 0.0081(13) -0.0198(12) 0.0038(13)
F(7) 0.049(2) 0.050(2) 0.056(2) -0.0127(13) 0.017(1) 0.013(2)
F(8) 0.0234(13) 0.073(2) 0.0350(13) -0.0112(13) 0.0065(10) -0.0104(13)
F(9) 0.038(2) 0.071(2) 0.047(2) -0.013(1) 0.0253(13) -0.022(2)
F(10) 0.0256(13) 0.058(2) 0.039(1) -0.0075(12) -0.0017(11) -0.0116(13)
F(11) 0.104(3) 0.031(2) 0.070(2) 0.003(2) -0.058(2) -0.005(2)
F(12) 0.047(2) 0.086(2) 0.0295(13) -0.027(2) 0.0125(12) -0.022(2)
O(1) 0.025(1) 0.023(1) 0.0249(13) -0.0053(11) 0.0020(11) 0.0007(12)
O(2) 0.0210(13) 0.0184(13) 0.0251(13) -0.0060(10) 0.0018(10) -0.0015(11)
O(3) 0.033(2) 0.027(2) 0.037(2) 0.0065(12) 0.0048(13) -0.0032(13)
O(4) 0.025(2) 0.033(2) 0.034(2) -0.0060(12) 0.0124(12) -0.0048(13)
O(5) 0.022(1) 0.0185(13) 0.031(1) 0.0005(10) 0.0096(11) 0.0006(11)
O(6) 0.027(1) 0.023(1) 0.0217(13) -0.0042(11) -0.0004(11) -0.0043(11)
O(7) 0.0199(13) 0.031(2) 0.0228(13) -0.0081(11) 0.0052(10) -0.0031(12)
O(8) 0.023(1) 0.032(2) 0.0232(13) -0.0050(11) 0.0011(10) -0.0008(12)
C(1) 0.024(2) 0.046(3) 0.032(2) -0.008(2) -0.001(2) 0.002(2)
C(2) 0.017(2) 0.029(2) 0.021(2) -0.006(2) 0.003(1) 0.002(2)
C(3) 0.011(2) 0.026(2) 0.023(2) -0.0035(13) 0.0008(13) 0.001(2)
C(4) 0.017(2) 0.037(2) 0.033(2) 0.002(2) 0.006(2) 0.008(2)
C(5) 0.028(2) 0.049(3) 0.040(3) 0.008(2) -0.003(2) 0.010(2)
C(6) 0.021(2) 0.018(2) 0.020(2) 0.003(1) 0.001(1) -0.002(1)
C(7) 0.023(2) 0.027(2) 0.023(2) 0.003(2) 0.008(1) 0.003(2)
C(8) 0.037(3) 0.030(2) 0.027(2) 0.002(2) 0.012(2) -0.003(2)
C(9) 0.023(2) 0.016(2) 0.021(2) 0.0024(13) 0.002(1) 0.003(1)
C(10) 0.030(2) 0.027(2) 0.025(2) -0.001(2) 0.001(2) -0.006(2)
C(11) 0.026(2) 0.019(2) 0.057(3) 0.002(2) 0.008(2) -0.011(2)
C(12) 0.025(2) 0.019(2) 0.032(2) 0.002(2) 0.013(2) 0.002(2)
C(13) 0.027(2) 0.028(2) 0.028(2) 0.008(2) 0.001(2) 0.007(2)
C(14) 0.029(2) 0.025(2) 0.022(2) -0.002(2) 0.001(2) 0.003(2)
C(15) 0.047(3) 0.035(3) 0.037(3) 0.013(2) -0.020(2) -0.006(2)
C(16) 0.026(2) 0.039(3) 0.031(2) -0.006(2) 0.007(2) -0.005(2)
C(17) 0.024(2) 0.023(2) 0.024(2) 0.004(2) 0.006(2) 0.001(2)
C(18) 0.024(2) 0.034(2) 0.020(2) 0.002(2) -0.000(2) -0.002(2)
C(19) 0.020(2) 0.020(2) 0.022(2) -0.000(1) -0.006(1) 0.000(2)
C(20) 0.024(2) 0.033(2) 0.029(2) -0.001(2) -0.000(2) -0.005(2)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pd Pd -0.999 1.007
;
International Tables for Crystallography
(1992, 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
O(5) Pd(1) O(1) 91.1(1)
O(6) Pd(1) O(1) 174.1(1)
Pd(1) O(1) C(2) 116.8(2)
C(6) Pd(1) O(1) 82.0(1)
O(6) Pd(1) O(5) 92.7(1)
C(6) Pd(1) O(5) 173.1(1)
Pd(1) O(5) C(12) 121.0(2)
C(6) Pd(1) O(6) 94.2(1)
Pd(1) O(6) C(14) 123.4(2)
Pd(1) C(6) C(3) 104.3(2)
Pd(1) C(6) C(7) 98.7(2)
Pd(1) C(6) C(9) 107.6(2)
C(3) Pd(2) O(2) 81.6(1)
Pd(2) O(2) C(9) 116.0(2)
O(7) Pd(2) O(2) 91.1(1)
O(8) Pd(2) O(2) 176.5(1)
C(3) Pd(2) O(7) 172.7(1)
O(8) Pd(2) O(7) 92.3(1)
Pd(2) O(7) C(17) 122.3(2)
C(3) Pd(2) O(8) 95.0(1)
Pd(2) O(8) C(19) 122.9(2)
Pd(2) C(3) C(2) 105.9(2)
Pd(2) C(3) C(6) 104.0(2)
Pd(2) C(3) C(4) 101.0(2)
F(1) C(11) C(12) 115.0(3)
F(1) C(11) F(2) 107.9(3)
F(1) C(11) F(3) 110.4(4)
F(2) C(11) C(12) 109.0(4)
F(2) C(11) F(3) 104.8(3)
F(3) C(11) C(12) 109.2(3)
F(4) C(15) C(14) 110.8(4)
F(4) C(15) F(5) 106.6(4)
F(4) C(15) F(6) 108.4(4)
F(5) C(15) C(14) 110.8(4)
F(5) C(15) F(6) 105.2(4)
F(6) C(15) C(14) 114.6(4)
F(7) C(16) C(17) 111.2(3)
F(7) C(16) F(8) 107.8(3)
F(7) C(16) F(9) 110.3(4)
F(8) C(16) C(17) 109.7(3)
F(8) C(16) F(9) 105.5(3)
F(9) C(16) C(17) 112.1(3)
F(10) C(20) C(19) 111.9(3)
F(10) C(20) F(11) 107.0(4)
F(10) C(20) F(12) 106.0(3)
F(11) C(20) C(19) 108.6(3)
F(11) C(20) F(12) 108.7(4)
F(12) C(20) C(19) 114.4(3)
O(1) C(2) C(3) 116.1(3)
O(1) C(2) C(1) 117.9(3)
O(2) C(9) C(6) 117.2(3)
O(2) C(9) C(10) 116.6(3)
O(3) C(4) C(3) 118.3(3)
O(3) C(4) C(5) 120.5(4)
O(4) C(7) C(6) 117.1(3)
O(4) C(7) C(8) 120.7(4)
O(5) C(12) C(13) 129.6(4)
O(5) C(12) C(11) 113.6(3)
O(6) C(14) C(13) 129.2(3)
O(6) C(14) C(15) 112.3(3)
O(7) C(17) C(18) 129.6(4)
O(7) C(17) C(16) 114.3(3)
O(8) C(19) C(18) 130.6(3)
O(8) C(19) C(20) 112.0(3)
C(1) C(2) C(3) 126.0(3)
C(2) C(3) C(6) 110.4(3)
C(2) C(3) C(4) 123.1(3)
C(6) C(3) C(4) 110.2(3)
C(3) C(4) C(5) 121.2(4)
C(3) C(6) C(7) 108.7(3)
C(3) C(6) C(9) 109.5(3)
C(6) C(7) C(8) 122.1(3)
C(9) C(6) C(7) 125.7(3)
C(6) C(9) C(10) 126.2(3)
C(11) C(12) C(13) 116.7(3)
C(12) C(13) C(14) 123.9(3)
C(13) C(14) C(15) 118.5(3)
C(16) C(17) C(18) 116.0(3)
C(17) C(18) C(19) 122.1(4)
C(18) C(19) C(20) 117.4(3)
H(1) C(1) C(2) 109.1289
H(2) C(1) C(2) 110.2437
H(3) C(1) C(2) 109.0242
H(2) C(1) H(1) 109.4847
H(3) C(1) H(1) 109.4827
H(3) C(1) H(2) 109.4603
C(4) C(5) H(5) 109.8910
C(4) C(5) H(4) 109.4312
C(4) C(5) H(6) 109.0772
H(5) C(5) H(4) 109.4787
H(6) C(5) H(4) 109.4793
H(6) C(5) H(5) 109.4689
C(7) C(8) H(8) 109.3800
C(7) C(8) H(7) 110.1244
C(7) C(8) H(9) 108.8989
H(8) C(8) H(7) 109.4803
H(9) C(8) H(7) 109.4582
H(9) C(8) H(8) 109.4832
C(9) C(10) H(10) 110.5320
C(9) C(10) H(11) 109.2389
C(9) C(10) H(12) 108.6230
H(11) C(10) H(10) 109.4818
H(12) C(10) H(10) 109.4658
H(12) C(10) H(11) 109.4800
C(12) C(13) H(13) 118.5199
H(13) C(13) C(14) 117.5277
C(17) C(18) H(14) 118.6181
H(14) C(18) C(19) 119.2762
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pd(1) O(1) 2.004(2)
Pd(1) O(5) 2.077(2)
Pd(1) O(6) 1.994(2)
Pd(1) C(6) 2.061(3)
Pd(2) O(2) 1.993(2)
Pd(2) O(7) 2.057(3)
Pd(2) O(8) 2.004(2)
Pd(2) C(3) 2.055(4)
F(1) C(11) 1.306(5)
F(2) C(11) 1.359(6)
F(3) C(11) 1.340(5)
F(4) C(15) 1.328(6)
F(5) C(15) 1.353(6)
F(6) C(15) 1.330(5)
F(7) C(16) 1.312(5)
F(8) C(16) 1.350(4)
F(9) C(16) 1.336(5)
F(10) C(20) 1.320(5)
F(11) C(20) 1.328(5)
F(12) C(20) 1.301(5)
O(1) C(2) 1.264(4)
O(2) C(9) 1.267(5)
O(3) C(4) 1.209(5)
O(4) C(7) 1.226(4)
O(5) C(12) 1.277(4)
O(6) C(14) 1.269(4)
O(7) C(17) 1.243(5)
O(8) C(19) 1.252(5)
C(1) C(2) 1.482(5)
C(2) C(3) 1.473(5)
C(3) C(4) 1.532(5)
C(3) C(6) 1.544(5)
C(4) C(5) 1.497(5)
C(6) C(7) 1.503(6)
C(6) C(9) 1.461(5)
C(7) C(8) 1.484(5)
C(9) C(10) 1.475(5)
C(11) C(12) 1.531(6)
C(12) C(13) 1.371(5)
C(13) C(14) 1.393(5)
C(14) C(15) 1.515(6)
C(16) C(17) 1.533(6)
C(17) C(18) 1.407(5)
C(18) C(17) 1.407(5)
C(18) C(19) 1.389(5)
C(19) C(18) 1.389(5)
C(19) C(20) 1.545(5)
C(1) H(1) 0.9499
C(1) H(2) 0.9498
C(1) H(3) 0.9498
C(5) H(4) 0.9499
C(5) H(5) 0.9499
C(5) H(6) 0.9496
C(8) H(7) 0.9497
C(8) H(8) 0.9498
C(8) H(9) 0.9498
C(10) H(10) 0.9497
C(10) H(11) 0.9499
C(10) H(12) 0.9498
C(13) H(13) 0.9497
C(18) H(14) 0.9498
H(14) C(18) 0.9498
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
O(5) Pd(1) O(1) C(2) -169.4(3)
C(6) Pd(1) O(1) C(2) 9.9(3)
O(1) Pd(1) O(5) C(12) -176.4(3)
O(6) Pd(1) O(5) C(12) -0.8(3)
O(5) Pd(1) O(6) C(14) 1.4(3)
C(6) Pd(1) O(6) C(14) -178.4(3)
O(1) Pd(1) C(6) C(3) -23.3(2)
O(1) Pd(1) C(6) C(7) 88.7(2)
O(1) Pd(1) C(6) C(9) -139.5(2)
O(6) Pd(1) C(6) C(3) 161.2(2)
O(6) Pd(1) C(6) C(7) -86.8(2)
O(6) Pd(1) C(6) C(9) 45.0(2)
O(7) Pd(2) O(2) C(9) -164.8(2)
C(3) Pd(2) O(2) C(9) 15.4(2)
O(2) Pd(2) O(7) C(17) 176.5(3)
O(8) Pd(2) O(7) C(17) -3.0(3)
O(7) Pd(2) O(8) C(19) 3.7(3)
C(3) Pd(2) O(8) C(19) -176.4(3)
O(2) Pd(2) C(3) C(2) -143.4(2)
O(2) Pd(2) C(3) C(4) 87.3(2)
O(2) Pd(2) C(3) C(6) -27.0(2)
O(8) Pd(2) C(3) C(2) 36.2(2)
O(8) Pd(2) C(3) C(4) -93.1(2)
O(8) Pd(2) C(3) C(6) 152.6(2)
Pd(1) O(1) C(2) C(1) -170.5(3)
Pd(1) O(1) C(2) C(3) 8.7(4)
Pd(2) O(2) C(9) C(6) 3.1(4)
Pd(2) O(2) C(9) C(10) -178.0(3)
Pd(1) O(5) C(12) C(11) -178.4(3)
Pd(1) O(5) C(12) C(13) -2.0(6)
Pd(1) O(6) C(14) C(13) 0.7(6)
Pd(1) O(6) C(14) C(15) -177.2(3)
Pd(2) O(7) C(17) C(16) -178.6(2)
Pd(2) O(7) C(17) C(18) 2.0(5)
Pd(2) O(8) C(19) C(18) -3.6(5)
Pd(2) O(8) C(19) C(20) 176.7(2)
O(1) C(2) C(3) Pd(2) 82.3(4)
O(1) C(2) C(3) C(4) -162.7(4)
O(1) C(2) C(3) C(6) -29.6(5)
C(1) C(2) C(3) Pd(2) -98.6(4)
C(1) C(2) C(3) C(4) 16.4(6)
C(1) C(2) C(3) C(6) 149.5(4)
Pd(2) C(3) C(4) O(3) -100.1(4)
Pd(2) C(3) C(4) C(5) 76.8(4)
C(2) C(3) C(4) O(3) 142.6(4)
C(2) C(3) C(4) C(5) -40.5(6)
C(6) C(3) C(4) O(3) 9.4(5)
C(6) C(3) C(4) C(5) -173.7(4)
Pd(2) C(3) C(6) Pd(1) -79.3(2)
Pd(2) C(3) C(6) C(7) 176.2(3)
Pd(2) C(3) C(6) C(9) 35.6(3)
C(2) C(3) C(6) Pd(1) 33.9(3)
C(2) C(3) C(6) C(7) -70.7(4)
C(2) C(3) C(6) C(9) 148.8(3)
C(4) C(3) C(6) Pd(1) 173.1(2)
C(4) C(3) C(6) C(7) 68.6(4)
C(4) C(3) C(6) C(9) -71.9(4)
Pd(1) C(6) C(7) O(4) -94.9(3)
Pd(1) C(6) C(7) C(8) 82.2(4)
C(3) C(6) C(7) O(4) 13.5(4)
C(3) C(6) C(7) C(8) -169.4(3)
C(9) C(6) C(7) O(4) 146.0(3)
C(9) C(6) C(7) C(8) -36.8(5)
Pd(1) C(6) C(9) O(2) 85.5(3)
Pd(1) C(6) C(9) C(10) -93.3(4)
C(3) C(6) C(9) O(2) -27.3(4)
C(3) C(6) C(9) C(10) 153.9(3)
C(7) C(6) C(9) O(2) -159.5(3)
C(7) C(6) C(9) C(10) 21.7(5)
F(1) C(11) C(12) O(5) 1.1(6)
F(1) C(11) C(12) C(13) -175.8(4)
F(2) C(11) C(12) O(5) -120.2(4)
F(2) C(11) C(12) C(13) 63.0(5)
F(3) C(11) C(12) O(5) 125.9(4)
F(3) C(11) C(12) C(13) -51.0(6)
O(5) C(12) C(13) C(14) 4.8(8)
C(11) C(12) C(13) C(14) -178.9(4)
C(12) C(13) C(14) O(6) -4.1(7)
C(12) C(13) C(14) C(15) 173.7(4)
O(6) C(14) C(15) F(4) 79.0(5)
O(6) C(14) C(15) F(5) -39.2(6)
O(6) C(14) C(15) F(6) -158.0(4)
C(13) C(14) C(15) F(4) -99.2(5)
C(13) C(14) C(15) F(5) 142.7(4)
C(13) C(14) C(15) F(6) 23.9(6)
F(7) C(16) C(17) O(7) -86.0(4)
F(7) C(16) C(17) C(18) 93.4(4)
F(8) C(16) C(17) O(7) 33.2(5)
F(8) C(16) C(17) C(18) -147.4(4)
F(9) C(16) C(17) O(7) 150.0(3)
F(9) C(16) C(17) C(18) -30.5(5)
O(7) C(17) C(18) C(19) -0.5(7)
C(16) C(17) C(18) C(19) -179.8(3)
C(17) C(18) C(19) O(8) 1.4(6)
C(17) C(18) C(19) C(20) -178.9(3)
O(8) C(19) C(20) F(10) 40.1(5)
O(8) C(19) C(20) F(11) -77.8(4)
O(8) C(19) C(20) F(12) 160.6(3)
C(18) C(19) C(20) F(10) -139.6(4)
C(18) C(19) C(20) F(11) 102.4(4)
C(18) C(19) C(20) F(12) -19.1(5)