#------------------------------------------------------------------------------
#$Date: 2013-12-29 11:49:26 +0000 (Sun, 29 Dec 2013) $
#$Revision: 91935 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/16/4001687.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_4001687
loop_
_publ_author_name
'Allenbaugh, Rachel J.'
'Schauer, Cynthia K.'
'Josey, Amanda'
'Martin, James D.'
'Anokhin, Denis V.'
'Ivanov, Dimitri A.'
_publ_section_title
;
 Effect of Axial Interactions on the Formation of Mesophases: Comparison
 of the Phase Behavior of Dialkyl
 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II),
 Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys
;
_journal_issue                   23
_journal_name_full               'Chemistry of Materials'
_journal_page_first              4517
_journal_volume                  24
_journal_year                    2012
_chemical_formula_moiety         'C16 H16 Cl2 N2 O4 Pt '
_chemical_formula_sum            'C16 H16 Cl2 N2 O4 Pt'
_chemical_formula_weight         566.30
_chemical_name_systematic
;
 ?  #Insert the chemical name here.
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                61.445(3)
_cell_angle_beta                 82.988(3)
_cell_angle_gamma                84.057(3)
_cell_formula_units_Z            4
_cell_length_a                   9.1145(4)
_cell_length_b                   14.6632(7)
_cell_length_c                   15.2749(7)
_cell_measurement_reflns_used    943
_cell_measurement_temperature    173
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_cell_volume                     1777.33(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      173
_diffrn_measurement_device       'Bruker SMART 1K'
_diffrn_measurement_method       'Omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12756
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    8.19
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.569
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.116
_exptl_crystal_description       needle
_exptl_crystal_F_000             1076.65
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.36
_refine_diff_density_min         -0.98
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     451
_refine_ls_number_reflns         4759
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.048
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.037
_refine_ls_wR_factor_obs         0.034
_reflns_number_observed          4760
_reflns_number_total             6186
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_[local]_cod_data_source_file    cm3018105_si_003.cif
_[local]_cod_data_source_block   c04233
_[local]_cod_chemical_formula_sum_orig 'C16 H16 Cl2 N2 O4 Pt '
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1777.33(14)
_cod_database_code               4001687
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
_atom_site_aniso_type_symbol
Pt1 0.02512(17) 0.04427(21) 0.02703(18) -0.00028(14) -0.00227(13) -0.01974(15)
Pt
Cl1 0.0412(11) 0.0417(12) 0.0361(11) 0.0025(9) -0.0063(9) -0.0165(9) Cl
Cl2 0.0320(11) 0.0656(16) 0.0511(13) 0.0064(10) -0.0152(10) -0.0280(12) Cl
N1 0.028(3) 0.035(4) 0.018(3) -0.006(3) -0.0024(25) -0.013(3) N
C2 0.034(4) 0.030(4) 0.032(4) -0.008(3) 0.004(3) -0.015(3) C
C3 0.035(4) 0.040(5) 0.031(4) -0.011(4) -0.003(3) -0.018(4) C
C4 0.025(4) 0.029(4) 0.030(4) -0.002(3) -0.001(3) -0.019(3) C
C5 0.025(4) 0.030(4) 0.027(4) -0.001(3) 0.003(3) -0.019(3) C
C6 0.024(4) 0.034(5) 0.025(4) 0.000(3) -0.003(3) -0.022(3) C
C7 0.022(4) 0.040(5) 0.034(4) -0.010(3) 0.005(3) -0.022(4) C
C8 0.027(4) 0.048(6) 0.041(5) -0.004(4) 0.001(4) -0.028(4) C
C9 0.029(4) 0.043(5) 0.041(5) -0.006(4) 0.003(4) -0.029(4) C
C10 0.034(5) 0.056(6) 0.039(5) -0.016(4) 0.001(4) -0.027(4) C
C11 0.022(4) 0.062(6) 0.036(4) -0.003(4) -0.006(3) -0.030(4) C
N12 0.020(3) 0.045(4) 0.023(3) -0.005(3) -0.001(3) -0.020(3) N
C13 0.027(4) 0.045(5) 0.030(4) -0.012(4) 0.010(3) -0.023(4) C
O14 0.031(3) 0.040(4) 0.064(4) -0.011(3) -0.017(3) -0.026(3) O
O15 0.025(3) 0.039(3) 0.037(3) -0.0006(23) -0.0083(23) -0.021(3) O
C16 0.032(4) 0.053(6) 0.033(5) 0.000(4) -0.008(4) -0.019(4) C
C17 0.045(5) 0.057(7) 0.055(6) 0.007(5) -0.009(5) -0.023(5) C
C18 0.034(5) 0.060(6) 0.061(6) -0.017(4) 0.003(4) -0.039(5) C
O19 0.068(5) 0.062(5) 0.124(7) -0.021(4) -0.031(4) -0.049(5) O
O20 0.041(3) 0.043(4) 0.068(4) -0.006(3) -0.008(3) -0.029(3) O
C21 0.064(6) 0.036(6) 0.095(8) 0.005(5) -0.009(6) -0.038(6) C
C22 0.098(9) 0.037(6) 0.117(10) -0.012(6) 0.032(8) -0.020(6) C
Pt2 0.01834(14) 0.02053(16) 0.02032(15) 0.00021(11) -0.00398(11) -0.00941(12)
Pt
Cl3 0.0248(9) 0.0246(10) 0.0321(10) 0.0050(7) -0.0084(8) -0.0106(8) Cl
Cl4 0.0302(9) 0.0240(10) 0.0341(10) -0.0027(7) -0.0071(8) -0.0117(8) Cl
N31 0.018(3) 0.030(4) 0.021(3) -0.0018(25) -0.0016(23) -0.014(3) N
C32 0.022(4) 0.028(4) 0.027(4) 0.005(3) -0.011(3) -0.013(3) C
C33 0.020(4) 0.033(4) 0.029(4) 0.007(3) -0.014(3) -0.018(3) C
C34 0.025(4) 0.029(4) 0.028(4) -0.006(3) -0.007(3) -0.016(3) C
C35 0.025(4) 0.025(4) 0.027(4) 0.003(3) -0.005(3) -0.008(3) C
C36 0.020(3) 0.016(4) 0.022(4) -0.003(3) -0.008(3) -0.007(3) C
C37 0.016(3) 0.024(4) 0.026(4) 0.003(3) -0.008(3) -0.012(3) C
C38 0.023(4) 0.026(4) 0.023(4) -0.004(3) -0.005(3) -0.013(3) C
C39 0.018(3) 0.024(4) 0.023(4) -0.001(3) -0.004(3) -0.009(3) C
C40 0.020(4) 0.035(5) 0.036(4) 0.001(3) -0.009(3) -0.019(4) C
C41 0.024(4) 0.024(4) 0.032(4) -0.003(3) -0.008(3) -0.014(3) C
N42 0.017(3) 0.021(3) 0.016(3) -0.0026(23) -0.0039(22) -0.0084(24) N
C43 0.025(4) 0.031(5) 0.037(4) -0.003(3) -0.004(3) -0.017(4) C
O44 0.032(3) 0.036(3) 0.062(4) -0.0054(25) -0.025(3) -0.014(3) O
O45 0.029(3) 0.024(3) 0.053(3) 0.0012(23) -0.017(3) -0.012(3) O
C46 0.036(4) 0.027(4) 0.052(5) -0.009(3) -0.014(4) -0.007(4) C
C47 0.069(6) 0.041(6) 0.060(6) -0.018(5) -0.002(5) -0.026(5) C
C48 0.021(4) 0.034(5) 0.032(4) 0.000(3) -0.005(3) -0.013(3) C
O49 0.019(3) 0.032(3) 0.047(3) 0.0019(22) -0.0157(23) -0.0076(25) O
O50 0.025(3) 0.021(3) 0.036(3) 0.0007(21) -0.0116(22) -0.0038(23) O
C51 0.041(5) 0.028(4) 0.032(4) 0.002(4) -0.017(4) -0.008(3) C
C52 0.069(6) 0.039(6) 0.056(6) -0.019(5) -0.040(5) 0.007(4) C
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Pt1 0.65149(3) 0.397115(25) 0.455535(21) 0.03103(22) Uani Pt
Cl1 0.61057(22) 0.22306(16) 0.52929(14) 0.0405(12) Uani Cl
Cl2 0.87658(22) 0.35591(19) 0.52252(16) 0.0490(16) Uani Cl
N1 0.4582(6) 0.4451(5) 0.3905(4) 0.026(4) Uani N
C2 0.3539(8) 0.3813(6) 0.3983(5) 0.032(5) Uani C
C3 0.2264(8) 0.4216(6) 0.3484(6) 0.034(5) Uani C
C4 0.2046(8) 0.5277(6) 0.2902(5) 0.026(5) Uani C
C5 0.3113(8) 0.5926(6) 0.2837(5) 0.025(4) Uani C
C6 0.4378(8) 0.5490(6) 0.3333(5) 0.024(5) Uani C
C7 0.5567(8) 0.6117(6) 0.3326(5) 0.030(5) Uani C
C8 0.5561(8) 0.7167(7) 0.2854(6) 0.036(5) Uani C
C9 0.6692(8) 0.7673(6) 0.2945(6) 0.034(5) Uani C
C10 0.7828(9) 0.7075(7) 0.3508(6) 0.040(6) Uani C
C11 0.7832(8) 0.6015(7) 0.3956(6) 0.037(6) Uani C
N12 0.6712(6) 0.5511(5) 0.3885(4) 0.028(4) Uani N
C13 0.0706(8) 0.5684(7) 0.2320(5) 0.032(5) Uani C
O14 -0.0074(6) 0.5117(4) 0.2236(4) 0.042(4) Uani O
O15 0.0503(5) 0.6708(4) 0.1886(4) 0.032(3) Uani O
C16 -0.0713(8) 0.7128(7) 0.1227(6) 0.039(6) Uani C
C17 -0.0719(10) 0.8282(8) 0.0733(7) 0.054(7) Uani C
C18 0.6688(9) 0.8831(8) 0.2475(7) 0.047(6) Uani C
O19 0.7558(8) 0.9260(6) 0.2667(6) 0.079(6) Uani O
O20 0.5666(6) 0.9321(4) 0.1825(5) 0.049(4) Uani O
C21 0.5678(11) 1.0474(7) 0.1262(8) 0.062(8) Uani C
C22 0.6580(13) 1.0785(8) 0.0293(10) 0.094(9) Uani C
Pt2 0.42432(3) 0.538744(21) 0.086530(19) 0.01969(18) Uani Pt
Cl3 0.25496(19) 0.66235(14) -0.00939(13) 0.0282(10) Uani Cl
Cl4 0.56995(19) 0.66910(14) 0.06285(13) 0.0297(11) Uani Cl
N31 0.3056(6) 0.4161(4) 0.1171(4) 0.022(4) Uani N
C32 0.1708(7) 0.4202(5) 0.0859(5) 0.025(4) Uani C
C33 0.1007(7) 0.3316(6) 0.1102(5) 0.026(5) Uani C
C34 0.1649(7) 0.2349(5) 0.1717(5) 0.025(4) Uani C
C35 0.3029(7) 0.2318(6) 0.2033(5) 0.027(4) Uani C
C36 0.3706(7) 0.3220(5) 0.1763(5) 0.020(4) Uani C
C37 0.5165(7) 0.3256(5) 0.2075(5) 0.021(4) Uani C
C38 0.5960(7) 0.2372(5) 0.2686(5) 0.023(4) Uani C
C39 0.7313(7) 0.2486(5) 0.2957(5) 0.023(4) Uani C
C40 0.7817(7) 0.3465(6) 0.2571(6) 0.029(5) Uani C
C41 0.6949(7) 0.4322(5) 0.1966(5) 0.025(4) Uani C
N42 0.5631(6) 0.4225(4) 0.1721(4) 0.018(3) Uani N
C43 0.0894(8) 0.1382(6) 0.1986(6) 0.030(5) Uani C
O44 -0.0288(6) 0.1393(4) 0.1711(4) 0.045(4) Uani O
O45 0.1675(5) 0.0526(4) 0.2570(4) 0.037(3) Uani O
C46 0.1073(9) -0.0466(6) 0.2882(6) 0.041(5) Uani C
C47 0.1621(11) -0.0899(7) 0.2187(7) 0.055(7) Uani C
C48 0.8194(7) 0.1557(6) 0.3667(5) 0.030(5) Uani C
O49 0.9450(5) 0.1616(4) 0.3819(4) 0.036(3) Uani O
O50 0.7438(5) 0.0710(4) 0.4077(4) 0.031(3) Uani O
C51 0.8119(9) -0.0220(6) 0.4847(6) 0.035(5) Uani C
C52 0.7134(11) -0.1077(7) 0.5170(7) 0.062(6) Uani C
H2 0.369 0.308 0.439 0.0420 Uiso H
H3 0.153 0.376 0.354 0.0453 Uiso H
H5 0.298 0.667 0.244 0.0371 Uiso H
H8 0.477 0.757 0.245 0.0487 Uiso H
H10 0.861 0.741 0.359 0.0530 Uiso H
H11 0.865 0.561 0.433 0.0500 Uiso H
H16a -0.057 0.689 0.073 0.0494 Uiso H
H16b -0.164 0.690 0.162 0.0494 Uiso H
H17a -0.150 0.858 0.030 0.0622 Uiso H
H17b -0.085 0.851 0.123 0.0622 Uiso H
H17c 0.021 0.850 0.035 0.0622 Uiso H
H21a 0.468 1.076 0.114 0.0746 Uiso H
H21b 0.609 1.073 0.164 0.0746 Uiso H
H22a 0.659 1.153 -0.008 0.0941 Uiso H
H22b 0.757 1.050 0.042 0.0941 Uiso H
H22c 0.616 1.052 -0.009 0.0941 Uiso H
H32 0.124 0.487 0.046 0.0353 Uiso H
H33 0.007 0.336 0.086 0.0374 Uiso H
H35 0.351 0.166 0.245 0.0356 Uiso H
H38 0.560 0.169 0.292 0.0339 Uiso H
H40 0.876 0.356 0.273 0.0404 Uiso H
H41 0.731 0.501 0.170 0.0364 Uiso H
H46a 0.135 -0.095 0.354 0.0480 Uiso H
H46b 0.001 -0.038 0.290 0.0480 Uiso H
H47a 0.121 -0.156 0.240 0.0669 Uiso H
H47b 0.134 -0.042 0.153 0.0669 Uiso H
H47c 0.268 -0.099 0.217 0.0669 Uiso H
H51a 0.906 -0.039 0.459 0.0438 Uiso H
H51b 0.826 -0.011 0.540 0.0438 Uiso H
H52a 0.755 -0.171 0.568 0.0646 Uiso H
H52b 0.620 -0.090 0.543 0.0646 Uiso H
H52c 0.700 -0.118 0.461 0.0646 Uiso H
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0.003 0.002 'International Tables Vol. IV Table 2.2B'
H 0.000 0.000 'International Tables Vol. IV Table 2.2B'
Cl 0.148 0.159 'International Tables Vol. IV Table 2.2B'
N 0.006 0.003 'International Tables Vol. IV Table 2.2B'
O 0.011 0.006 'International Tables Vol. IV Table 2.2B'
Pt -1.703 8.391 'International Tables Vol. IV Table 2.2B'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
Cl(1) Pt(1) Cl(2) 89.21(8)
Cl(1) Pt(1) N(1) 95.25(18)
Cl(1) Pt(1) N(12) 175.65(17)
Cl(2) Pt(1) N(1) 175.50(19)
Cl(2) Pt(1) N(12) 95.09(17)
N(1) Pt(1) N(12) 80.46(24)
Pt(1) N(1) C(2) 125.0(5)
Pt(1) N(1) C(6) 115.3(5)
C(2) N(1) C(6) 119.7(6)
N(1) C(2) C(3) 120.7(7)
C(2) C(3) C(4) 119.9(7)
C(3) C(4) C(5) 119.0(7)
C(3) C(4) C(13) 118.6(7)
C(5) C(4) C(13) 122.3(7)
C(4) C(5) C(6) 119.1(7)
N(1) C(6) C(5) 121.5(6)
N(1) C(6) C(7) 115.2(6)
C(5) C(6) C(7) 123.2(7)
C(6) C(7) C(8) 125.6(7)
C(6) C(7) N(12) 112.7(7)
C(8) C(7) N(12) 121.7(7)
C(7) C(8) C(9) 120.6(7)
C(8) C(9) C(10) 118.0(8)
C(8) C(9) C(18) 122.2(7)
C(10) C(9) C(18) 119.7(7)
C(9) C(10) C(11) 120.3(7)
C(10) C(11) N(12) 122.1(7)
Pt(1) N(12) C(7) 116.2(5)
Pt(1) N(12) C(11) 126.5(5)
C(7) N(12) C(11) 117.2(7)
C(4) C(13) O(14) 122.0(7)
C(4) C(13) O(15) 113.8(6)
O(14) C(13) O(15) 124.1(7)
C(13) O(15) C(16) 114.5(6)
O(15) C(16) C(17) 108.1(7)
C(9) C(18) O(19) 121.8(9)
C(9) C(18) O(20) 113.7(7)
O(19) C(18) O(20) 124.5(9)
C(18) O(20) C(21) 116.8(7)
O(20) C(21) C(22) 109.2(8)
Cl(3) Pt(2) Cl(4) 89.26(6)
Cl(3) Pt(2) N(31) 95.20(16)
Cl(3) Pt(2) N(42) 175.89(16)
Cl(4) Pt(2) N(31) 175.29(16)
Cl(4) Pt(2) N(42) 94.85(16)
N(31) Pt(2) N(42) 80.69(22)
Pt(2) N(31) C(32) 126.6(5)
Pt(2) N(31) C(36) 114.4(4)
C(32) N(31) C(36) 119.0(6)
N(31) C(32) C(33) 121.7(6)
C(32) C(33) C(34) 119.9(6)
C(33) C(34) C(35) 117.8(6)
C(33) C(34) C(43) 120.3(6)
C(35) C(34) C(43) 121.9(6)
C(34) C(35) C(36) 120.6(6)
N(31) C(36) C(35) 120.9(6)
N(31) C(36) C(37) 115.0(6)
C(35) C(36) C(37) 124.1(6)
C(36) C(37) C(38) 122.3(6)
C(36) C(37) N(42) 114.5(5)
C(38) C(37) N(42) 123.3(6)
C(37) C(38) C(39) 118.1(6)
C(38) C(39) C(40) 118.8(6)
C(38) C(39) C(48) 120.8(6)
C(40) C(39) C(48) 120.4(6)
C(39) C(40) C(41) 119.8(6)
C(40) C(41) N(42) 121.9(6)
Pt(2) N(42) C(37) 115.4(4)
Pt(2) N(42) C(41) 126.5(5)
C(37) N(42) C(41) 118.0(6)
C(34) C(43) O(44) 122.9(7)
C(34) C(43) O(45) 112.2(6)
O(44) C(43) O(45) 124.9(7)
C(43) O(45) C(46) 117.9(6)
O(45) C(46) C(47) 111.7(7)
C(39) C(48) O(49) 122.0(7)
C(39) C(48) O(50) 111.6(6)
O(49) C(48) O(50) 126.3(6)
C(48) O(50) C(51) 116.8(5)
O(50) C(51) C(52) 108.2(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Pt(1) Cl(1) 2.2952(21)
Pt(1) Cl(2) 2.2992(20)
Pt(1) N(1) 2.022(6)
Pt(1) N(12) 2.002(6)
N(1) C(2) 1.357(10)
N(1) C(6) 1.352(10)
C(2) C(3) 1.387(11)
C(3) C(4) 1.381(11)
C(4) C(5) 1.391(10)
C(4) C(13) 1.500(11)
C(5) C(6) 1.383(10)
C(6) C(7) 1.488(10)
C(7) C(8) 1.352(12)
C(7) N(12) 1.382(10)
C(8) C(9) 1.387(11)
C(9) C(10) 1.374(12)
C(9) C(18) 1.495(13)
C(10) C(11) 1.366(13)
C(11) N(12) 1.364(10)
C(13) O(14) 1.208(9)
C(13) O(15) 1.322(10)
O(15) C(16) 1.470(9)
C(16) C(17) 1.488(13)
C(18) O(19) 1.203(11)
C(18) O(20) 1.332(11)
O(20) C(21) 1.487(11)
C(21) C(22) 1.486(16)
Pt(2) Cl(3) 2.2911(17)
Pt(2) Cl(4) 2.3008(18)
Pt(2) N(31) 2.025(6)
Pt(2) N(42) 2.011(5)
N(31) C(32) 1.357(8)
N(31) C(36) 1.357(8)
C(32) C(33) 1.373(10)
C(33) C(34) 1.388(10)
C(34) C(35) 1.390(10)
C(34) C(43) 1.493(10)
C(35) C(36) 1.374(10)
C(36) C(37) 1.480(9)
C(37) C(38) 1.376(9)
C(37) N(42) 1.351(9)
C(38) C(39) 1.397(9)
C(39) C(40) 1.372(10)
C(39) C(48) 1.500(10)
C(40) C(41) 1.385(10)
C(41) N(42) 1.341(9)
C(43) O(44) 1.200(9)
C(43) O(45) 1.334(9)
O(45) C(46) 1.442(9)
C(46) C(47) 1.493(13)
C(48) O(49) 1.215(8)
C(48) O(50) 1.318(9)
O(50) C(51) 1.448(8)
C(51) C(52) 1.471(12)
_journal_paper_doi 10.1021/cm3018105