#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:42:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180351 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/20/7202091.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_7202091
loop_
_publ_author_name
'Carlucci, Lucia'
'Ciani, Gianfranco'
'Maggini, Simona'
'Proserpio, Davide M.'
_publ_section_title
;
 Metal--organic coordination frameworks assembled with the long
 flexible ligand 4,4′-bis(imidazol-1-ylmethyl)biphenyl
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1191
_journal_paper_doi               10.1039/b803815e
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C58 H70 Cd N8 O12 S2'
_chemical_formula_weight         1247.74
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                91.871(3)
_cell_angle_beta                 93.356(3)
_cell_angle_gamma                108.918(2)
_cell_formula_units_Z            1
_cell_length_a                   9.0753(19)
_cell_length_b                   9.997(2)
_cell_length_c                   17.486(4)
_cell_measurement_reflns_used    4837
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     1495.9(6)
_computing_molecular_graphics    TOPOS
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      150(2)
_diffrn_detector_type            CCD_plate
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device       SMART
_diffrn_measurement_method       omega-scan
_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  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0605
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21364
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         2.16
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.501
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.840
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6960
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_obs          0.0431
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0476P)²+0.4219P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1044
_refine_ls_wR_factor_obs         0.0961
_reflns_number_observed          5461
_reflns_number_total             6960
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b803815e.txt
_cod_data_source_block           4_Lu731_[Cd(bimb)2(H2O)2](OTs)2(MeOH)4
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1495.9(5)
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7202091
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.0338(3) 0.2157(3) -0.13752(15) 0.0294(6) Uani 1 1 d . . .
H1 H 0.0704 0.2393 -0.1483 0.035 Uiso 1 1 calc R . .
C1S C 0.6781(7) 0.4478(5) -0.0071(3) 0.0949(17) Uani 1 1 d . . .
H1S1 H 0.7521 0.3977 -0.0068 0.142 Uiso 1 1 calc R . .
H1S2 H 0.6610 0.4747 -0.0582 0.142 Uiso 1 1 calc R . .
H1S3 H 0.5812 0.3878 0.0099 0.142 Uiso 1 1 calc R . .
C2 C -0.2524(3) 0.1173(3) -0.09150(16) 0.0316(6) Uani 1 1 d . . .
H2 H -0.3293 0.0581 -0.0636 0.038 Uiso 1 1 calc R . .
C2S C 0.2201(4) 0.1853(4) 0.22933(19) 0.0528(9) Uani 1 1 d . . .
H2S1 H 0.2845 0.1844 0.2747 0.079 Uiso 1 1 calc R . .
H2S2 H 0.1615 0.0897 0.2118 0.079 Uiso 1 1 calc R . .
H2S3 H 0.1496 0.2357 0.2408 0.079 Uiso 1 1 calc R . .
C3 C -0.2737(3) 0.2143(3) -0.13878(16) 0.0323(6) Uani 1 1 d . . .
H3 H -0.3657 0.2344 -0.1492 0.039 Uiso 1 1 calc R . .
C4 C -0.0982(4) 0.3898(3) -0.22135(16) 0.0330(7) Uani 1 1 d . . .
H4A H 0.0139 0.4366 -0.2181 0.040 Uiso 1 1 calc R . .
H4B H -0.1457 0.4591 -0.2051 0.040 Uiso 1 1 calc R . .
C5 C -0.1530(3) 0.3433(3) -0.30422(15) 0.0270(6) Uani 1 1 d . . .
C6 C -0.2403(3) 0.2057(3) 0.67187(16) 0.0299(6) Uani 1 1 d . . .
H6 H -0.2708 0.1374 0.7079 0.036 Uiso 1 1 calc R . .
C7 C -0.1118(3) 0.4427(3) 0.64116(16) 0.0290(6) Uani 1 1 d . . .
H7 H -0.0544 0.5359 0.6565 0.035 Uiso 1 1 calc R . .
C8 C -0.2827(3) 0.1687(3) 0.59490(16) 0.0290(6) Uani 1 1 d . . .
H8 H -0.3419 0.0757 0.5800 0.035 Uiso 1 1 calc R . .
C9 C -0.1536(3) 0.4069(3) 0.56472(16) 0.0282(6) Uani 1 1 d . . .
H9 H -0.1250 0.4764 0.5292 0.034 Uiso 1 1 calc R . .
C10 C -0.2387(3) 0.2676(3) 0.53937(15) 0.0250(6) Uani 1 1 d . . .
C11 C -0.2196(3) 0.0443(3) 0.13091(15) 0.0282(6) Uani 1 1 d . . .
H11 H -0.2587 -0.0534 0.1342 0.034 Uiso 1 1 calc R . .
C12 C -0.0856(4) 0.2499(3) 0.09987(18) 0.0371(7) Uani 1 1 d . . .
H12 H -0.0124 0.3229 0.0773 0.045 Uiso 1 1 calc R . .
C13 C -0.1891(4) 0.2668(3) 0.14792(18) 0.0380(7) Uani 1 1 d . . .
H13 H -0.2006 0.3521 0.1643 0.046 Uiso 1 1 calc R . .
C14 C -0.4051(3) 0.0984(3) 0.21699(15) 0.0316(6) Uani 1 1 d . . .
H14A H -0.4559 -0.0034 0.2126 0.038 Uiso 1 1 calc R . .
H14B H -0.4805 0.1421 0.1986 0.038 Uiso 1 1 calc R . .
C15 C -0.3579(3) 0.1439(3) 0.30012(15) 0.0262(6) Uani 1 1 d . . .
C16 C -0.3309(3) 0.0509(3) 0.35121(16) 0.0328(7) Uani 1 1 d . . .
H16 H -0.3389 -0.0402 0.3337 0.039 Uiso 1 1 calc R . .
C17 C -0.3429(3) 0.2802(3) 0.32783(16) 0.0322(7) Uani 1 1 d . . .
H17 H -0.3597 0.3448 0.2942 0.039 Uiso 1 1 calc R . .
C18 C -0.2925(4) 0.0905(3) 0.42751(17) 0.0329(7) Uani 1 1 d . . .
H18 H -0.2757 0.0254 0.4608 0.040 Uiso 1 1 calc R . .
C19 C -0.3033(3) 0.3206(3) 0.40465(15) 0.0293(6) Uani 1 1 d . . .
H19 H -0.2934 0.4123 0.4219 0.035 Uiso 1 1 calc R . .
C20 C -0.2780(3) 0.2269(3) 0.45644(15) 0.0247(6) Uani 1 1 d . . .
C21 C 0.6555(3) 0.6602(3) 0.32356(15) 0.0261(6) Uani 1 1 d . . .
C22 C 0.5516(4) 0.6272(3) 0.37971(17) 0.0332(7) Uani 1 1 d . . .
H22 H 0.4465 0.5779 0.3668 0.040 Uiso 1 1 calc R . .
C23 C 0.8109(3) 0.7341(3) 0.34368(17) 0.0337(7) Uani 1 1 d . . .
H23 H 0.8817 0.7571 0.3060 0.040 Uiso 1 1 calc R . .
C24 C 0.6040(4) 0.6676(3) 0.45513(17) 0.0405(8) Uani 1 1 d . . .
H24 H 0.5330 0.6454 0.4928 0.049 Uiso 1 1 calc R . .
C25 C 0.8612(4) 0.7735(3) 0.41919(18) 0.0402(8) Uani 1 1 d . . .
H25 H 0.9661 0.8236 0.4320 0.048 Uiso 1 1 calc R . .
C26 C 0.7591(4) 0.7403(3) 0.47631(18) 0.0402(8) Uani 1 1 d . . .
C27 C 0.8147(5) 0.7839(4) 0.55925(19) 0.0588(10) Uani 1 1 d . . .
H27A H 0.9248 0.8347 0.5629 0.088 Uiso 1 1 calc R . .
H27B H 0.7946 0.7011 0.5885 0.088 Uiso 1 1 calc R . .
H27C H 0.7601 0.8437 0.5790 0.088 Uiso 1 1 calc R . .
N1 N -0.1011(3) 0.1190(2) -0.09061(12) 0.0288(5) Uani 1 1 d . . .
N2 N -0.1335(3) 0.2770(2) -0.16827(12) 0.0277(5) Uani 1 1 d . . .
N3 N -0.1040(3) 0.1093(2) 0.08917(12) 0.0279(5) Uani 1 1 d . . .
N4 N -0.2740(3) 0.1356(2) 0.16795(12) 0.0264(5) Uani 1 1 d . . .
O1 O 0.6914(2) 0.5420(2) 0.19551(11) 0.0344(5) Uani 1 1 d . . .
O1S O 0.7334(5) 0.5632(3) 0.03979(16) 0.0924(12) Uani 1 1 d . . .
H7S H 0.700(6) 0.548(5) 0.094(3) 0.111 Uiso 1 1 d . . .
O2 O 0.6131(3) 0.7498(2) 0.19071(12) 0.0410(5) Uani 1 1 d . . .
O2S O 0.3147(3) 0.2523(3) 0.17198(12) 0.0464(6) Uani 1 1 d . . .
H6S H 0.364(4) 0.350(4) 0.186(2) 0.056 Uiso 1 1 d . . .
O3 O 0.4291(2) 0.5280(2) 0.22334(12) 0.0400(5) Uani 1 1 d . . .
O4 O -0.2405(2) -0.1829(2) -0.01887(13) 0.0367(5) Uani 1 1 d . . .
H4S H -0.264(4) -0.273(3) -0.0001(16) 0.044 Uiso 1 1 d D . .
H5S H -0.260(4) -0.202(3) -0.0677(17) 0.044 Uiso 1 1 d D . .
S1 S 0.59163(8) 0.61659(7) 0.22550(4) 0.02822(16) Uani 1 1 d . . .
Cd Cd 0.0000 0.0000 0.0000 0.02436(10) Uani 1 2 d S . .
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 N2 111.8(3) . . ?
N1 C1 H1 124.1 . . ?
N2 C1 H1 124.1 . . ?
O1S C1S H1S1 109.5 . . ?
O1S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
O1S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
C3 C2 N1 109.8(3) . . ?
C3 C2 H2 125.1 . . ?
N1 C2 H2 125.1 . . ?
O2S C2S H2S1 109.5 . . ?
O2S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
O2S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
C2 C3 N2 106.4(2) . . ?
C2 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
N2 C4 C5 115.1(2) . . ?
N2 C4 H4A 108.5 . . ?
C5 C4 H4A 108.5 . . ?
N2 C4 H4B 108.5 . . ?
C5 C4 H4B 108.5 . . ?
H4A C4 H4B 107.5 . . ?
C7 C5 C6 118.4(3) 1_554 1_554 ?
C7 C5 C4 118.3(2) 1_554 . ?
C6 C5 C4 123.3(2) 1_554 . ?
C8 C6 C5 120.6(3) . 1_556 ?
C8 C6 H6 119.7 . . ?
C5 C6 H6 119.7 1_556 . ?
C9 C7 C5 121.4(3) . 1_556 ?
C9 C7 H7 119.3 . . ?
C5 C7 H7 119.3 1_556 . ?
C6 C8 C10 121.4(3) . . ?
C6 C8 H8 119.3 . . ?
C10 C8 H8 119.3 . . ?
C7 C9 C10 121.0(3) . . ?
C7 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C8 C10 C9 117.3(2) . . ?
C8 C10 C20 121.5(2) . . ?
C9 C10 C20 121.2(2) . . ?
N3 C11 N4 111.9(2) . . ?
N3 C11 H11 124.0 . . ?
N4 C11 H11 124.0 . . ?
C13 C12 N3 109.8(3) . . ?
C13 C12 H12 125.1 . . ?
N3 C12 H12 125.1 . . ?
C12 C13 N4 106.9(3) . . ?
C12 C13 H13 126.6 . . ?
N4 C13 H13 126.6 . . ?
N4 C14 C15 113.6(2) . . ?
N4 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
N4 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 C17 118.2(2) . . ?
C16 C15 C14 120.8(2) . . ?
C17 C15 C14 121.0(3) . . ?
C18 C16 C15 121.0(2) . . ?
C18 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C19 C17 C15 120.9(3) . . ?
C19 C17 H17 119.6 . . ?
C15 C17 H17 119.6 . . ?
C16 C18 C20 121.5(3) . . ?
C16 C18 H18 119.3 . . ?
C20 C18 H18 119.3 . . ?
C17 C19 C20 121.1(2) . . ?
C17 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C18 117.3(2) . . ?
C19 C20 C10 121.9(2) . . ?
C18 C20 C10 120.9(2) . . ?
C22 C21 C23 119.4(3) . . ?
C22 C21 S1 121.0(2) . . ?
C23 C21 S1 119.5(2) . . ?
C21 C22 C24 119.6(3) . . ?
C21 C22 H22 120.2 . . ?
C24 C22 H22 120.2 . . ?
C25 C23 C21 120.3(3) . . ?
C25 C23 H23 119.9 . . ?
C21 C23 H23 119.9 . . ?
C22 C24 C26 121.8(3) . . ?
C22 C24 H24 119.1 . . ?
C26 C24 H24 119.1 . . ?
C23 C25 C26 121.1(3) . . ?
C23 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C25 C26 C24 117.9(3) . . ?
C25 C26 C27 121.0(3) . . ?
C24 C26 C27 121.1(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C1 N1 C2 105.4(2) . . ?
C1 N1 Cd 131.96(19) . . ?
C2 N1 Cd 121.42(18) . . ?
C1 N2 C3 106.6(2) . . ?
C1 N2 C4 126.7(2) . . ?
C3 N2 C4 126.6(2) . . ?
C11 N3 C12 104.9(2) . . ?
C11 N3 Cd 125.09(18) . . ?
C12 N3 Cd 128.76(19) . . ?
C11 N4 C13 106.5(2) . . ?
C11 N4 C14 125.9(2) . . ?
C13 N4 C14 127.5(2) . . ?
C1S O1S H7S 114(3) . . ?
C2S O2S H6S 111(2) . . ?
Cd O4 H4S 126.2(19) . . ?
Cd O4 H5S 108(2) . . ?
H4S O4 H5S 101(2) . . ?
O2 S1 O3 113.02(13) . . ?
O2 S1 O1 112.27(13) . . ?
O3 S1 O1 112.59(13) . . ?
O2 S1 C21 105.72(12) . . ?
O3 S1 C21 106.54(13) . . ?
O1 S1 C21 106.01(12) . . ?
N3 Cd N3 180.00(12) . 2 ?
N3 Cd N1 94.04(8) . 2 ?
N3 Cd N1 85.96(8) 2 2 ?
N3 Cd N1 85.96(8) . . ?
N3 Cd N1 94.04(8) 2 . ?
N1 Cd N1 180.00(13) 2 . ?
N3 Cd O4 90.51(8) . 2 ?
N3 Cd O4 89.49(8) 2 2 ?
N1 Cd O4 86.36(8) 2 2 ?
N1 Cd O4 93.64(8) . 2 ?
N3 Cd O4 89.49(8) . . ?
N3 Cd O4 90.51(8) 2 . ?
N1 Cd O4 93.64(8) 2 . ?
N1 Cd O4 86.36(8) . . ?
O4 Cd O4 180.00(9) 2 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.307(4) . ?
C1 N2 1.345(3) . ?
C1 H1 0.9300 . ?
C1S O1S 1.330(5) . ?
C1S H1S1 0.9600 . ?
C1S H1S2 0.9600 . ?
C1S H1S3 0.9600 . ?
C2 C3 1.347(4) . ?
C2 N1 1.368(4) . ?
C2 H2 0.9300 . ?
C2S O2S 1.401(4) . ?
C2S H2S1 0.9600 . ?
C2S H2S2 0.9600 . ?
C2S H2S3 0.9600 . ?
C3 N2 1.363(4) . ?
C3 H3 0.9300 . ?
C4 N2 1.451(3) . ?
C4 C5 1.512(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C7 1.379(4) 1_554 ?
C5 C6 1.383(4) 1_554 ?
C6 C8 1.382(4) . ?
C6 C5 1.383(4) 1_556 ?
C6 H6 0.9300 . ?
C7 C9 1.371(4) . ?
C7 C5 1.379(4) 1_556 ?
C7 H7 0.9300 . ?
C8 C10 1.390(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.399(4) . ?
C9 H9 0.9300 . ?
C10 C20 1.484(4) . ?
C11 N3 1.317(3) . ?
C11 N4 1.337(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.343(4) . ?
C12 N3 1.366(3) . ?
C12 H12 0.9300 . ?
C13 N4 1.358(4) . ?
C13 H13 0.9300 . ?
C14 N4 1.464(3) . ?
C14 C15 1.504(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.378(4) . ?
C15 C17 1.392(4) . ?
C16 C18 1.371(4) . ?
C16 H16 0.9300 . ?
C17 C19 1.382(4) . ?
C17 H17 0.9300 . ?
C18 C20 1.401(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.386(4) . ?
C19 H19 0.9300 . ?
C21 C22 1.375(4) . ?
C21 C23 1.381(4) . ?
C21 S1 1.771(3) . ?
C22 C24 1.377(4) . ?
C22 H22 0.9300 . ?
C23 C25 1.374(4) . ?
C23 H23 0.9300 . ?
C24 C26 1.380(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.509(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
N1 Cd 2.330(2) . ?
N3 Cd 2.290(2) . ?
O1 S1 1.4556(19) . ?
O1S H7S 1.02(5) . ?
O2 S1 1.442(2) . ?
O2S H6S 0.95(4) . ?
O3 S1 1.451(2) . ?
O4 Cd 2.346(2) . ?
O4 H4S 0.94(3) . ?
O4 H5S 0.86(3) . ?
Cd N3 2.290(2) 2 ?
Cd N1 2.330(2) 2 ?
Cd O4 2.346(2) 2 ?
