#------------------------------------------------------------------------------
#$Date: 2018-08-20 16:17:22 +0300 (Mon, 20 Aug 2018) $
#$Revision: 209988 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/23/4302334.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_4302334
loop_
_publ_author_name
'Mishra, Anurag'
'Ali, Afsar'
'Upreti, Shailesh'
'Whittingham, M. Stanley'
'Gupta, Rajeev'
_publ_section_title
;
 Cobalt Complex as Building Blocks: Synthesis, Characterization, and
 Catalytic Applications of {Cd2+--Co3+--Cd2+} and {Hg2+--Co3+--Hg2+}
 Heterobimetallic Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5234
_journal_page_last               5243
_journal_paper_doi               10.1021/ic900223f
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         '3(C40 H36 Cd2 Co N15 O15), 8(O)'
_chemical_formula_sum            'C120 H108 Cd6 Co3 N45 O53'
_chemical_formula_weight         3879.77
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.933(1)
_cell_angle_beta                 110.933(1)
_cell_angle_gamma                110.933(1)
_cell_formula_units_Z            2
_cell_length_a                   22.953(2)
_cell_length_b                   22.953(2)
_cell_length_c                   22.953(2)
_cell_measurement_reflns_used    4377
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.50
_cell_measurement_theta_min      2.48
_cell_volume                     8769.0(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            97426
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    1.070
_exptl_absorpt_correction_T_max  0.821
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3744
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.221
_exptl_crystal_size_min          0.187
_refine_diff_density_max         1.523
_refine_diff_density_min         -1.641
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         10894
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0531
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1116P)²+2.0491P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1956
_reflns_number_gt                8060
_reflns_number_total             10894
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4338650
_cod_data_source_file            ic900223f_si_002_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Rhombohedral' changed to 'rhombohedral'
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_sg_symbol_H-M      'R -3'
_cod_database_code               4302334
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-x, -y, -z'
'-z, -x, -y'
'-y, -z, -x'
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
Co Co 0.13960(3) 0.48419(3) 0.68335(4) 0.03531(18) Uani 1 1 d . . .
Cd1 Cd 0.13457(4) 0.27710(3) 0.56936(3) 0.0763(2) Uani 1 1 d . . .
Cd2 Cd 0.12451(2) 0.67475(2) 0.82476(2) 0.05015(15) Uani 1 1 d . . .
O1 O -0.0114(3) 0.2629(2) 0.5438(3) 0.0816(14) Uani 1 1 d . A .
O2 O 0.1593(2) 0.6038(2) 0.8725(2) 0.0481(8) Uani 1 1 d . A .
O3 O 0.3117(2) 0.4677(3) 0.6987(3) 0.0622(11) Uani 1 1 d . A .
O4 O 0.0860(2) 0.5999(2) 0.6042(3) 0.0641(11) Uani 1 1 d . A .
N1 N 0.1034(3) 0.3293(3) 0.5097(3) 0.0584(12) Uani 1 1 d . A .
N2 N 0.0709(2) 0.3858(2) 0.5892(2) 0.0433(10) Uani 1 1 d . A .
N3 N 0.0839(2) 0.4349(2) 0.7118(2) 0.0386(9) Uani 1 1 d . . .
N4 N 0.1910(2) 0.5682(2) 0.7871(2) 0.0376(9) Uani 1 1 d . A .
N5 N 0.2291(2) 0.6925(2) 0.8248(3) 0.0469(10) Uani 1 1 d . A .
N6 N 0.1891(3) 0.3431(2) 0.6952(3) 0.0504(11) Uani 1 1 d . A .
N7 N 0.2126(2) 0.4566(2) 0.7073(2) 0.0393(9) Uani 1 1 d . A .
N8 N 0.1966(2) 0.5325(2) 0.6549(2) 0.0364(8) Uani 1 1 d . . .
N9 N 0.0852(2) 0.5277(2) 0.6524(2) 0.0394(9) Uani 1 1 d . A .
N10 N 0.0223(3) 0.5579(3) 0.7083(3) 0.0508(11) Uani 1 1 d . A .
C1 C 0.1071(5) 0.3138(5) 0.4483(4) 0.081(2) Uani 1 1 d . . .
H1 H 0.1297 0.2886 0.4380 0.097 Uiso 1 1 calc R A .
C2 C 0.0788(5) 0.3341(5) 0.4017(4) 0.087(2) Uani 1 1 d . A .
H2 H 0.0796 0.3202 0.3588 0.105 Uiso 1 1 calc R . .
C3 C 0.0492(4) 0.3749(4) 0.4186(4) 0.075(2) Uani 1 1 d . . .
H3 H 0.0318 0.3909 0.3885 0.090 Uiso 1 1 calc R A .
C4 C 0.0456(3) 0.3919(4) 0.4800(3) 0.0571(14) Uani 1 1 d . A .
H4 H 0.0254 0.4194 0.4919 0.069 Uiso 1 1 calc R . .
C5 C 0.0724(3) 0.3675(3) 0.5247(3) 0.0451(12) Uani 1 1 d . . .
C6 C 0.0287(3) 0.3302(3) 0.5927(3) 0.0492(13) Uani 1 1 d . . .
C7 C 0.0371(3) 0.3612(3) 0.6672(3) 0.0447(12) Uani 1 1 d . A .
C8 C 0.0040(3) 0.3217(3) 0.6918(4) 0.0576(15) Uani 1 1 d . . .
H8 H -0.0268 0.2695 0.6617 0.069 Uiso 1 1 calc R A .
C9 C 0.0175(3) 0.3607(4) 0.7613(4) 0.0618(16) Uani 1 1 d . A .
H9 H -0.0047 0.3349 0.7785 0.074 Uiso 1 1 calc R . .
C10 C 0.0645(3) 0.4393(4) 0.8067(3) 0.0563(14) Uani 1 1 d . . .
H10 H 0.0725 0.4664 0.8532 0.068 Uiso 1 1 calc R A .
C11 C 0.0983(3) 0.4746(3) 0.7797(3) 0.0413(11) Uani 1 1 d . A .
C12 C 0.1530(3) 0.5560(3) 0.8185(3) 0.0397(11) Uani 1 1 d . . .
C13 C 0.2464(3) 0.6414(3) 0.8153(3) 0.0404(11) Uani 1 1 d . . .
C14 C 0.3171(3) 0.6585(3) 0.8308(3) 0.0494(12) Uani 1 1 d . A .
H14 H 0.3282 0.6225 0.8253 0.059 Uiso 1 1 calc R . .
C15 C 0.3702(3) 0.7289(3) 0.8543(4) 0.0608(15) Uani 1 1 d . . .
H15 H 0.4172 0.7409 0.8639 0.073 Uiso 1 1 calc R A .
C16 C 0.3521(4) 0.7814(4) 0.8634(4) 0.0699(18) Uani 1 1 d . A .
H16 H 0.3872 0.8297 0.8798 0.084 Uiso 1 1 calc R . .
C17 C 0.2819(4) 0.7614(3) 0.8478(4) 0.0594(15) Uani 1 1 d . . .
H17 H 0.2700 0.7969 0.8534 0.071 Uiso 1 1 calc R A .
C18 C 0.1915(4) 0.3035(3) 0.7266(4) 0.0627(16) Uani 1 1 d . . .
H18 H 0.1742 0.2535 0.6962 0.075 Uiso 1 1 calc R A .
C19 C 0.2176(4) 0.3328(4) 0.7998(4) 0.0614(16) Uani 1 1 d . A .
H19 H 0.2195 0.3040 0.8196 0.074 Uiso 1 1 calc R . .
C20 C 0.2411(3) 0.4053(3) 0.8443(3) 0.0583(15) Uani 1 1 d . . .
H20 H 0.2580 0.4263 0.8946 0.070 Uiso 1 1 calc R A .
C21 C 0.2396(3) 0.4471(3) 0.8143(3) 0.0490(12) Uani 1 1 d . A .
H21 H 0.2553 0.4967 0.8439 0.059 Uiso 1 1 calc R . .
C22 C 0.2144(3) 0.4145(3) 0.7390(3) 0.0409(11) Uani 1 1 d . . .
C23 C 0.2625(3) 0.4793(3) 0.6899(3) 0.0404(11) Uani 1 1 d . . .
C24 C 0.2533(3) 0.5256(3) 0.6597(3) 0.0427(11) Uani 1 1 d . A .
C25 C 0.2972(3) 0.5620(3) 0.6398(3) 0.0540(14) Uani 1 1 d . . .
H25 H 0.3368 0.5578 0.6425 0.065 Uiso 1 1 calc R A .
C26 C 0.2806(3) 0.6045(4) 0.6159(4) 0.0602(15) Uani 1 1 d . A .
H26 H 0.3096 0.6297 0.6027 0.072 Uiso 1 1 calc R . .
C27 C 0.2219(3) 0.6100(3) 0.6113(3) 0.0522(13) Uani 1 1 d . . .
H27 H 0.2109 0.6387 0.5951 0.063 Uiso 1 1 calc R A .
C28 C 0.1793(3) 0.5724(3) 0.6309(3) 0.0413(11) Uani 1 1 d . A .
C29 C 0.1114(3) 0.5686(3) 0.6276(3) 0.0440(11) Uani 1 1 d . . .
C30 C 0.0174(3) 0.5131(3) 0.6476(3) 0.0421(11) Uani 1 1 d . . .
C31 C -0.0502(3) 0.4528(3) 0.5823(3) 0.0563(14) Uani 1 1 d . A .
H31 H -0.0519 0.4228 0.5409 0.068 Uiso 1 1 calc R . .
C32 C -0.1160(3) 0.4373(4) 0.5790(4) 0.0619(16) Uani 1 1 d . . .
H32 H -0.1624 0.3972 0.5352 0.074 Uiso 1 1 calc R A .
C33 C -0.1115(3) 0.4814(4) 0.6405(4) 0.0622(16) Uani 1 1 d . A .
H33 H -0.1548 0.4716 0.6400 0.075 Uiso 1 1 calc R . .
C34 C -0.0428(3) 0.5404(4) 0.7033(4) 0.0640(16) Uani 1 1 d . . .
H34 H -0.0406 0.5704 0.7451 0.077 Uiso 1 1 calc R A .
O1S O 0.2091(5) 0.2288(5) 0.5778(5) 0.139(3) Uani 1 1 d . A .
O2S O 0.2269(9) 0.2923(10) 0.5352(10) 0.130(7) Uani 0.82(3) 1 d P A 1
O2T O 0.168(5) 0.221(5) 0.481(3) 0.087(3) Uani 0.18(3) 1 d P A 2
O3S O 0.2733(5) 0.2250(5) 0.5314(4) 0.137(3) Uani 1 1 d . A .
O4S O 0.0583(4) 0.1711(4) 0.5668(4) 0.115(2) Uani 1 1 d . A .
O5S O 0.0323(5) 0.1566(5) 0.4613(4) 0.121(2) Uani 1 1 d . A .
O6S O -0.018(3) 0.063(2) 0.482(5) 0.057(6) Uani 0.2(8) 1 d PD A 1
O6T O -0.047(2) 0.0665(18) 0.465(6) 0.30(3) Uani 0.8(8) 1 d PD A 2
O7S O 0.0553(3) 0.6488(3) 0.8735(3) 0.0763(14) Uani 1 1 d . . .
O8S O 0.2127(3) 0.7812(3) 0.9471(3) 0.0780(13) Uani 1 1 d . . .
O9S O 0.1449(4) 0.7683(5) 0.7895(4) 0.119(2) Uani 1 1 d . . .
O10S O 0.0496(4) 0.7201(4) 0.7889(4) 0.117(2) Uani 1 1 d . . .
O11S O 0.0712(6) 0.8045(6) 0.7669(6) 0.186(4) Uani 1 1 d . . .
N1S N 0.2338(5) 0.2443(5) 0.5443(5) 0.101(2) Uani 1 1 d . . .
N2S N 0.0148(5) 0.1294(6) 0.4972(6) 0.112(3) Uani 1 1 d D . .
N3S N 0.0443(4) 0.6354(4) 0.9616(4) 0.0621(19) Uani 1 1 d . . .
N4S N 0.2626(4) 0.8923(4) 1.0504(4) 0.0883(19) Uani 1 1 d . . .
N5S N 0.0905(5) 0.7667(4) 0.7825(4) 0.094(2) Uani 1 1 d . . .
C1S C -0.0306(8) 0.5775(12) 0.9121(8) 0.087(16) Uani 1 1 d . . .
H1S1 H -0.0594 0.5962 0.8945 0.445 Uiso 1 1 calc R . .
H1S2 H -0.0473 0.5570 0.9371 0.445 Uiso 1 1 calc R . .
H1S3 H -0.0370 0.5391 0.8703 0.445 Uiso 1 1 calc R . .
C2S C 0.0778(8) 0.6557(8) 1.0392(6) 0.072(5) Uani 1 1 d . . .
H2S1 H 0.1315 0.6872 1.0663 0.228 Uiso 1 1 calc R . .
H2S2 H 0.0636 0.6109 1.0392 0.228 Uiso 1 1 calc R . .
H2S3 H 0.0602 0.6821 1.0628 0.228 Uiso 1 1 calc R . .
C3S C 0.0793(5) 0.6610(5) 0.9356(5) 0.065(3) Uani 1 1 d . . .
H3S H 0.1311 0.6941 0.9693 0.113 Uiso 1 1 calc R . .
C4S C 0.3047(6) 0.8787(6) 1.1018(5) 0.071(3) Uani 1 1 d . . .
H4S1 H 0.2927 0.8288 1.0745 0.166 Uiso 1 1 calc R . .
H4S2 H 0.2919 0.8841 1.1381 0.166 Uiso 1 1 calc R . .
H4S3 H 0.3574 0.9143 1.1270 0.166 Uiso 1 1 calc R . .
C5S C 0.2700(8) 0.9625(6) 1.0814(6) 0.068(4) Uani 1 1 d . . .
H5S1 H 0.3216 1.0025 1.1084 0.212 Uiso 1 1 calc R . .
H5S2 H 0.2537 0.9676 1.1150 0.212 Uiso 1 1 calc R . .
H5S3 H 0.2398 0.9648 1.0417 0.212 Uiso 1 1 calc R . .
C6S C 0.2208(5) 0.8418(5) 0.9782(5) 0.058(2) Uani 1 1 d . . .
H6S H 0.1948 0.8532 0.9474 0.104 Uiso 1 1 calc R . .
O1W O 0.7160(6) 0.4871(6) 0.5611(5) 0.048(6) Uani 0.20 1 d P A 1
O2W O 0.9316(17) 0.1801(18) 0.996(3) 0.048(3) Uani 0.30 1 d P A 2
O3W O 0.7514(18) 0.7514(18) 0.7514(18) 0.088(13) Uani 0.50 1 d P A 3
O4W O 0.1162(4) 0.3092(5) 0.1962(4) 0.084(3) Uani 0.50 1 d PH A 1
O5W O 1.0011(9) 0.1371(9) 0.0962(5) 0.070(16) Uani 0.20 1 d PH A 2
O6W O 0.1941(3) 0.3301(2) 0.1631(2) 0.090(16) Uani 0.30 1 d PH A 3
O7W O 0.6861(3) 0.5420(5) 0.5191(4) 0.065(3) Uani 0.20 1 d PK A 1
O8W O 0.5138(5) 0.4773(5) 0.6298(5) 0.0643(15) Uani 0.30 1 d PK A 2
O9W O 0.3539(2) 0.4036(7) 0.3964(3) 0.058(2) Uani 0.50 1 d PK A 3
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'
Co Co 0.3494 0.9721 '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
N3 Co N8 178.66(17) . . ?
N3 Co N2 81.65(18) . . ?
N8 Co N2 97.98(18) . . ?
N3 Co N9 99.52(17) . . ?
N8 Co N9 81.79(16) . . ?
N2 Co N9 95.43(17) . . ?
N3 Co N7 97.08(17) . . ?
N8 Co N7 81.62(16) . . ?
N2 Co N7 87.73(17) . . ?
N9 Co N7 163.39(17) . . ?
N3 Co N4 81.35(17) . . ?
N8 Co N4 99.03(17) . . ?
N2 Co N4 162.99(18) . . ?
N9 Co N4 86.99(17) . . ?
N7 Co N4 94.75(17) . . ?
N1 Cd1 N6 117.66(16) . . ?
N1 Cd1 O1S 133.6(2) . . ?
N6 Cd1 O1S 92.4(2) . . ?
N1 Cd1 O5S 90.2(2) . . ?
N6 Cd1 O5S 139.0(3) . . ?
O1S Cd1 O5S 87.7(3) . . ?
N1 Cd1 O4S 131.0(2) . . ?
N6 Cd1 O4S 86.1(2) . . ?
O1S Cd1 O4S 82.0(3) . . ?
O5S Cd1 O4S 53.3(3) . . ?
N1 Cd1 O2S 84.8(2) . . ?
N6 Cd1 O2S 112.7(4) . . ?
O1S Cd1 O2S 49.9(3) . . ?
O5S Cd1 O2S 98.4(5) . . ?
O4S Cd1 O2S 127.1(4) . . ?
N1 Cd1 O2T 89.1(13) . . ?
N6 Cd1 O2T 136.4(14) . . ?
O1S Cd1 O2T 47.9(11) . . ?
O5S Cd1 O2T 67(2) . . ?
O4S Cd1 O2T 102(2) . . ?
O2S Cd1 O2T 31.4(18) . . ?
O7S Cd2 N5 148.26(16) . . ?
O7S Cd2 O8S 82.52(19) . . ?
N5 Cd2 O8S 83.03(17) . . ?
O7S Cd2 O10S 78.9(2) . . ?
N5 Cd2 O10S 130.6(2) . . ?
O8S Cd2 O10S 95.3(2) . . ?
O7S Cd2 N10 87.51(17) . . ?
N5 Cd2 N10 104.81(16) . . ?
O8S Cd2 N10 169.86(17) . . ?
O10S Cd2 N10 84.6(2) . . ?
O7S Cd2 O2 75.95(15) . . ?
N5 Cd2 O2 75.25(13) . . ?
O8S Cd2 O2 87.21(16) . . ?
O10S Cd2 O2 154.15(19) . . ?
N10 Cd2 O2 88.60(14) . . ?
O7S Cd2 O9S 125.1(2) . . ?
N5 Cd2 O9S 80.97(19) . . ?
O8S Cd2 O9S 83.9(2) . . ?
O10S Cd2 O9S 49.9(2) . . ?
N10 Cd2 O9S 103.5(2) . . ?
O2 Cd2 O9S 155.44(19) . . ?
C12 O2 Cd2 102.5(3) . . ?
C5 N1 C1 117.9(5) . . ?
C5 N1 Cd1 123.5(4) . . ?
C1 N1 Cd1 118.1(4) . . ?
C6 N2 C5 119.2(4) . . ?
C6 N2 Co 115.0(4) . . ?
C5 N2 Co 124.8(3) . . ?
C7 N3 C11 122.7(4) . . ?
C7 N3 Co 118.7(4) . . ?
C11 N3 Co 118.2(3) . . ?
C12 N4 C13 120.8(4) . . ?
C12 N4 Co 113.5(3) . . ?
C13 N4 Co 122.1(3) . . ?
C13 N5 C17 117.8(5) . . ?
C13 N5 Cd2 122.4(3) . . ?
C17 N5 Cd2 118.8(4) . . ?
C22 N6 C18 118.0(5) . . ?
C22 N6 Cd1 126.3(3) . . ?
C18 N6 Cd1 115.6(4) . . ?
C23 N7 C22 119.2(4) . . ?
C23 N7 Co 115.7(3) . . ?
C22 N7 Co 125.0(3) . . ?
C28 N8 C24 123.0(4) . . ?
C28 N8 Co 118.5(3) . . ?
C24 N8 Co 118.5(3) . . ?
C29 N9 C30 118.9(4) . . ?
C29 N9 Co 115.7(3) . . ?
C30 N9 Co 125.1(3) . . ?
C30 N10 C34 116.8(5) . . ?
C30 N10 Cd2 132.9(4) . . ?
C34 N10 Cd2 109.9(4) . . ?
C2 C1 N1 122.3(6) . . ?
C2 C1 H1 118.9 . . ?
N1 C1 H1 118.9 . . ?
C1 C2 C3 119.4(6) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 119.6(6) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 119.3(5) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.4 . . ?
N1 C5 C4 121.4(5) . . ?
N1 C5 N2 118.1(4) . . ?
C4 C5 N2 120.4(5) . . ?
O1 C6 N2 126.7(6) . . ?
O1 C6 C7 122.4(5) . . ?
N2 C6 C7 110.9(4) . . ?
N3 C7 C8 120.1(5) . . ?
N3 C7 C6 112.2(4) . . ?
C8 C7 C6 127.6(5) . . ?
C9 C8 C7 118.6(5) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C10 120.7(5) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 117.3(6) . . ?
C11 C10 H10 121.3 . . ?
C9 C10 H10 121.3 . . ?
N3 C11 C10 120.4(5) . . ?
N3 C11 C12 112.2(4) . . ?
C10 C11 C12 127.4(5) . . ?
O2 C12 N4 127.3(5) . . ?
O2 C12 C11 121.7(5) . . ?
N4 C12 C11 110.9(4) . . ?
N5 C13 C14 121.9(5) . . ?
N5 C13 N4 118.7(4) . . ?
C14 C13 N4 119.4(4) . . ?
C15 C14 C13 119.6(5) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 118.6(5) . . ?
C14 C15 H15 120.7 . . ?
C16 C15 H15 120.7 . . ?
C17 C16 C15 119.1(5) . . ?
C17 C16 H16 120.4 . . ?
C15 C16 H16 120.5 . . ?
N5 C17 C16 123.1(6) . . ?
N5 C17 H17 118.4 . . ?
C16 C17 H17 118.5 . . ?
C19 C18 N6 123.3(6) . . ?
C19 C18 H18 118.4 . . ?
N6 C18 H18 118.3 . . ?
C18 C19 C20 118.7(5) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 H19 120.6 . . ?
C19 C20 C21 119.5(6) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.3 . . ?
C20 C21 C22 119.1(5) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
N6 C22 C21 121.3(4) . . ?
N6 C22 N7 118.8(4) . . ?
C21 C22 N7 119.8(5) . . ?
O3 C23 N7 127.0(4) . . ?
O3 C23 C24 121.8(5) . . ?
N7 C23 C24 111.2(4) . . ?
N8 C24 C25 119.5(4) . . ?
N8 C24 C23 112.8(4) . . ?
C25 C24 C23 127.6(5) . . ?
C26 C25 C24 118.1(5) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C27 C26 C25 120.8(5) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C26 C27 C28 119.2(5) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 H27 120.4 . . ?
N8 C28 C27 119.3(5) . . ?
N8 C28 C29 112.8(4) . . ?
C27 C28 C29 127.9(4) . . ?
O4 C29 N9 127.3(5) . . ?
O4 C29 C28 121.5(5) . . ?
N9 C29 C28 111.2(4) . . ?
N10 C30 C31 122.4(5) . . ?
N10 C30 N9 118.2(4) . . ?
C31 C30 N9 119.4(5) . . ?
C30 C31 C32 119.1(6) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C33 C32 C31 118.9(6) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 119.0(6) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
N10 C34 C33 123.8(6) . . ?
N10 C34 H34 118.1 . . ?
C33 C34 H34 118.1 . . ?
N1S O1S Cd1 101.1(6) . . ?
N1S O2S Cd1 92.8(7) . . ?
N1S O2T Cd1 87(2) . . ?
N2S O4S Cd1 95.2(7) . . ?
N2S O5S Cd1 95.7(6) . . ?
C3S O7S Cd2 125.8(5) . . ?
C6S O8S Cd2 131.5(6) . . ?
N5S O9S Cd2 94.0(5) . . ?
N5S O10S Cd2 99.4(5) . . ?
O1S N1S O3S 122.8(8) . . ?
O1S N1S O2S 113.7(9) . . ?
O3S N1S O2S 122.4(10) . . ?
O1S N1S O2T 100(3) . . ?
O3S N1S O2T 115.3(19) . . ?
O2S N1S O2T 61(3) . . ?
O6T N2S O4S 121(6) . . ?
O4S N2S O6S 105(4) . . ?
O6T N2S O5S 123(6) . . ?
O4S N2S O5S 115.5(10) . . ?
O6S N2S O5S 134(4) . . ?
C3S N3S C1S 118.3(9) . . ?
C3S N3S C2S 125.8(9) . . ?
C1S N3S C2S 115.5(9) . . ?
C6S N4S C5S 122.3(8) . . ?
C6S N4S C4S 120.2(7) . . ?
C5S N4S C4S 117.5(8) . . ?
O9S N5S O11S 124.8(10) . . ?
O9S N5S O10S 116.4(7) . . ?
O11S N5S O10S 118.8(10) . . ?
N3S C1S H1S1 109.5 . . ?
N3S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
N3S C1S H1S3 109.4 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
N3S C2S H2S1 109.5 . . ?
N3S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
N3S C2S H2S3 109.4 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
O7S C3S N3S 129.4(8) . . ?
O7S C3S H3S 115.3 . . ?
N3S C3S H3S 115.3 . . ?
N4S C4S H4S1 109.4 . . ?
N4S C4S H4S2 109.4 . . ?
H4S1 C4S H4S2 109.5 . . ?
N4S C4S H4S3 109.6 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 109.5 . . ?
N4S C5S H5S1 109.3 . . ?
N4S C5S H5S2 109.5 . . ?
H5S1 C5S H5S2 109.5 . . ?
N4S C5S H5S3 109.6 . . ?
H5S1 C5S H5S3 109.5 . . ?
H5S2 C5S H5S3 109.5 . . ?
O8S C6S N4S 126.3(8) . . ?
O8S C6S H6S 116.8 . . ?
N4S C6S H6S 116.8 . . ?
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
Co N3 1.853(4) . ?
Co N8 1.860(4) . ?
Co N2 1.947(4) . ?
Co N9 1.956(4) . ?
Co N7 1.963(4) . ?
Co N4 1.967(4) . ?
Cd1 N1 2.216(5) . ?
Cd1 N6 2.267(5) . ?
Cd1 O1S 2.338(7) . ?
Cd1 O5S 2.368(8) . ?
Cd1 O4S 2.402(7) . ?
Cd1 O2S 2.468(9) . ?
Cd1 O2T 2.52(4) . ?
Cd2 O7S 2.279(4) . ?
Cd2 N5 2.288(4) . ?
Cd2 O8S 2.335(5) . ?
Cd2 O10S 2.366(6) . ?
Cd2 N10 2.396(5) . ?
Cd2 O2 2.463(4) . ?
Cd2 O9S 2.507(7) . ?
O1 C6 1.225(7) . ?
O2 C12 1.245(6) . ?
O3 C23 1.214(6) . ?
O4 C29 1.224(6) . ?
N1 C5 1.340(7) . ?
N1 C1 1.366(9) . ?
N2 C6 1.350(7) . ?
N2 C5 1.404(7) . ?
N3 C7 1.321(6) . ?
N3 C11 1.329(7) . ?
N4 C12 1.333(6) . ?
N4 C13 1.403(6) . ?
N5 C13 1.338(6) . ?
N5 C17 1.350(7) . ?
N6 C22 1.328(7) . ?
N6 C18 1.350(7) . ?
N7 C23 1.340(6) . ?
N7 C22 1.405(6) . ?
N8 C28 1.329(6) . ?
N8 C24 1.337(6) . ?
N9 C29 1.339(6) . ?
N9 C30 1.422(6) . ?
N10 C30 1.339(7) . ?
N10 C34 1.350(7) . ?
C1 C2 1.362(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.367(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(7) . ?
C4 H4 0.9300 . ?
C6 C7 1.503(8) . ?
C7 C8 1.377(8) . ?
C8 C9 1.368(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.401(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.482(7) . ?
C13 C14 1.394(7) . ?
C14 C15 1.373(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.380(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.372(9) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.349(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.363(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.368(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.390(7) . ?
C21 H21 0.9300 . ?
C23 C24 1.497(6) . ?
C24 C25 1.387(7) . ?
C25 C26 1.377(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.368(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.376(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.500(7) . ?
C30 C31 1.376(8) . ?
C31 C32 1.388(8) . ?
C31 H31 0.9300 . ?
C32 C33 1.354(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.361(9) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
O1S N1S 1.183(10) . ?
O2S N1S 1.243(12) . ?
O2T N1S 1.39(6) . ?
O3S N1S 1.223(9) . ?
O4S N2S 1.246(11) . ?
O5S N2S 1.285(12) . ?
O6S N2S 1.28(5) . ?
O6T N2S 1.29(3) . ?
O7S C3S 1.207(9) . ?
O8S C6S 1.221(9) . ?
O9S N5S 1.184(9) . ?
O10S N5S 1.241(9) . ?
O11S N5S 1.210(9) . ?
N3S C3S 1.266(10) . ?
N3S C1S 1.380(15) . ?
N3S C2S 1.468(11) . ?
N4S C6S 1.307(10) . ?
N4S C5S 1.426(11) . ?
N4S C4S 1.444(11) . ?
C1S H1S1 0.9600 . ?
C1S H1S2 0.9600 . ?
C1S H1S3 0.9600 . ?
C2S H2S1 0.9600 . ?
C2S H2S2 0.9600 . ?
C2S H2S3 0.9600 . ?
C3S H3S 0.9300 . ?
C4S H4S1 0.9600 . ?
C4S H4S2 0.9600 . ?
C4S H4S3 0.9600 . ?
C5S H5S1 0.9600 . ?
C5S H5S2 0.9600 . ?
C5S H5S3 0.9600 . ?
C6S H6S 0.9300 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O7S Cd2 O2 C12 131.4(3) . . . . ?
N5 Cd2 O2 C12 -62.1(3) . . . . ?
O8S Cd2 O2 C12 -145.7(3) . . . . ?
O10S Cd2 O2 C12 118.0(5) . . . . ?
N10 Cd2 O2 C12 43.6(3) . . . . ?
O9S Cd2 O2 C12 -77.0(6) . . . . ?
N6 Cd1 N1 C5 -41.1(5) . . . . ?
O1S Cd1 N1 C5 -165.4(5) . . . . ?
O5S Cd1 N1 C5 107.6(5) . . . . ?
O4S Cd1 N1 C5 69.7(6) . . . . ?
O2S Cd1 N1 C5 -154.0(6) . . . . ?
O2T Cd1 N1 C5 175(2) . . . . ?
N6 Cd1 N1 C1 147.4(5) . . . . ?
O1S Cd1 N1 C1 23.1(7) . . . . ?
O5S Cd1 N1 C1 -63.9(6) . . . . ?
O4S Cd1 N1 C1 -101.8(6) . . . . ?
O2S Cd1 N1 C1 34.5(7) . . . . ?
O2T Cd1 N1 C1 3(2) . . . . ?
N3 Co N2 C6 -10.8(4) . . . . ?
N8 Co N2 C6 167.9(4) . . . . ?
N9 Co N2 C6 -109.7(4) . . . . ?
N7 Co N2 C6 86.7(4) . . . . ?
N4 Co N2 C6 -12.2(8) . . . . ?
N3 Co N2 C5 -179.0(4) . . . . ?
N8 Co N2 C5 -0.3(4) . . . . ?
N9 Co N2 C5 82.1(4) . . . . ?
N7 Co N2 C5 -81.5(4) . . . . ?
N4 Co N2 C5 179.6(5) . . . . ?
N2 Co N3 C7 10.9(3) . . . . ?
N9 Co N3 C7 105.1(4) . . . . ?
N7 Co N3 C7 -75.7(4) . . . . ?
N4 Co N3 C7 -169.5(4) . . . . ?
N2 Co N3 C11 -175.6(4) . . . . ?
N9 Co N3 C11 -81.5(4) . . . . ?
N7 Co N3 C11 97.7(4) . . . . ?
N4 Co N3 C11 4.0(3) . . . . ?
N3 Co N4 C12 -14.9(3) . . . . ?
N8 Co N4 C12 166.4(3) . . . . ?
N2 Co N4 C12 -13.5(7) . . . . ?
N9 Co N4 C12 85.2(3) . . . . ?
N7 Co N4 C12 -111.3(3) . . . . ?
N3 Co N4 C13 -173.7(4) . . . . ?
N8 Co N4 C13 7.6(4) . . . . ?
N2 Co N4 C13 -172.3(5) . . . . ?
N9 Co N4 C13 -73.6(4) . . . . ?
N7 Co N4 C13 89.8(4) . . . . ?
O7S Cd2 N5 C13 55.1(6) . . . . ?
O8S Cd2 N5 C13 118.5(4) . . . . ?
O10S Cd2 N5 C13 -150.5(4) . . . . ?
N10 Cd2 N5 C13 -54.9(4) . . . . ?
O2 Cd2 N5 C13 29.6(4) . . . . ?
O9S Cd2 N5 C13 -156.6(5) . . . . ?
O7S Cd2 N5 C17 -113.3(5) . . . . ?
O8S Cd2 N5 C17 -49.8(4) . . . . ?
O10S Cd2 N5 C17 41.1(5) . . . . ?
N10 Cd2 N5 C17 136.7(4) . . . . ?
O2 Cd2 N5 C17 -138.8(5) . . . . ?
O9S Cd2 N5 C17 35.0(5) . . . . ?
N1 Cd1 N6 C22 -10.5(5) . . . . ?
O1S Cd1 N6 C22 132.7(5) . . . . ?
O5S Cd1 N6 C22 -138.0(5) . . . . ?
O4S Cd1 N6 C22 -145.5(5) . . . . ?
O2S Cd1 N6 C22 85.7(5) . . . . ?
O2T Cd1 N6 C22 111(3) . . . . ?
N1 Cd1 N6 C18 165.4(4) . . . . ?
O1S Cd1 N6 C18 -51.4(5) . . . . ?
O5S Cd1 N6 C18 37.9(6) . . . . ?
O4S Cd1 N6 C18 30.4(5) . . . . ?
O2S Cd1 N6 C18 -98.4(5) . . . . ?
O2T Cd1 N6 C18 -73(3) . . . . ?
N3 Co N7 C23 176.3(4) . . . . ?
N8 Co N7 C23 -3.4(4) . . . . ?
N2 Co N7 C23 95.0(4) . . . . ?
N9 Co N7 C23 -6.5(8) . . . . ?
N4 Co N7 C23 -101.9(4) . . . . ?
N3 Co N7 C22 -2.2(4) . . . . ?
N8 Co N7 C22 178.1(4) . . . . ?
N2 Co N7 C22 -83.5(4) . . . . ?
N9 Co N7 C22 175.0(5) . . . . ?
N4 Co N7 C22 79.6(4) . . . . ?
N2 Co N8 C28 96.1(4) . . . . ?
N9 Co N8 C28 1.7(4) . . . . ?
N7 Co N8 C28 -177.4(4) . . . . ?
N4 Co N8 C28 -83.9(4) . . . . ?
N2 Co N8 C24 -84.1(4) . . . . ?
N9 Co N8 C24 -178.5(4) . . . . ?
N7 Co N8 C24 2.4(4) . . . . ?
N4 Co N8 C24 95.9(4) . . . . ?
N3 Co N9 C29 180.0(4) . . . . ?
N8 Co N9 C29 -0.3(4) . . . . ?
N2 Co N9 C29 -97.6(4) . . . . ?
N7 Co N9 C29 2.8(8) . . . . ?
N4 Co N9 C29 99.3(4) . . . . ?
N3 Co N9 C30 -6.3(4) . . . . ?
N8 Co N9 C30 173.4(4) . . . . ?
N2 Co N9 C30 76.1(4) . . . . ?
N7 Co N9 C30 176.4(5) . . . . ?
N4 Co N9 C30 -87.0(4) . . . . ?
O7S Cd2 N10 C30 -159.7(5) . . . . ?
N5 Cd2 N10 C30 -9.4(5) . . . . ?
O8S Cd2 N10 C30 -149.3(9) . . . . ?
O10S Cd2 N10 C30 121.2(5) . . . . ?
O2 Cd2 N10 C30 -83.7(5) . . . . ?
O9S Cd2 N10 C30 74.7(5) . . . . ?
O7S Cd2 N10 C34 27.8(4) . . . . ?
N5 Cd2 N10 C34 178.1(4) . . . . ?
O8S Cd2 N10 C34 38.2(11) . . . . ?
O10S Cd2 N10 C34 -51.3(4) . . . . ?
O2 Cd2 N10 C34 103.7(4) . . . . ?
O9S Cd2 N10 C34 -97.8(4) . . . . ?
C5 N1 C1 C2 -1.8(12) . . . . ?
Cd1 N1 C1 C2 170.1(7) . . . . ?
N1 C1 C2 C3 3.7(14) . . . . ?
C1 C2 C3 C4 -2.8(13) . . . . ?
C2 C3 C4 C5 0.3(11) . . . . ?
C1 N1 C5 C4 -0.8(9) . . . . ?
Cd1 N1 C5 C4 -172.3(4) . . . . ?
C1 N1 C5 N2 -177.8(6) . . . . ?
Cd1 N1 C5 N2 10.7(7) . . . . ?
C3 C4 C5 N1 1.6(10) . . . . ?
C3 C4 C5 N2 178.5(6) . . . . ?
C6 N2 C5 N1 -66.0(7) . . . . ?
Co N2 C5 N1 101.7(5) . . . . ?
C6 N2 C5 C4 117.0(6) . . . . ?
Co N2 C5 C4 -75.3(6) . . . . ?
C5 N2 C6 O1 -1.7(9) . . . . ?
Co N2 C6 O1 -170.5(5) . . . . ?
C5 N2 C6 C7 177.7(4) . . . . ?
Co N2 C6 C7 8.8(5) . . . . ?
C11 N3 C7 C8 -3.6(7) . . . . ?
Co N3 C7 C8 169.5(4) . . . . ?
C11 N3 C7 C6 178.1(4) . . . . ?
Co N3 C7 C6 -8.8(5) . . . . ?
O1 C6 C7 N3 178.9(5) . . . . ?
N2 C6 C7 N3 -0.5(6) . . . . ?
O1 C6 C7 C8 0.7(9) . . . . ?
N2 C6 C7 C8 -178.7(5) . . . . ?
N3 C7 C8 C9 3.5(8) . . . . ?
C6 C7 C8 C9 -178.4(5) . . . . ?
C7 C8 C9 C10 -0.5(9) . . . . ?
C8 C9 C10 C11 -2.5(9) . . . . ?
C7 N3 C11 C10 0.4(7) . . . . ?
Co N3 C11 C10 -172.7(4) . . . . ?
C7 N3 C11 C12 179.6(4) . . . . ?
Co N3 C11 C12 6.5(5) . . . . ?
C9 C10 C11 N3 2.6(8) . . . . ?
C9 C10 C11 C12 -176.5(5) . . . . ?
Cd2 O2 C12 N4 61.4(5) . . . . ?
Cd2 O2 C12 C11 -117.7(4) . . . . ?
C13 N4 C12 O2 1.4(7) . . . . ?
Co N4 C12 O2 -157.8(4) . . . . ?
C13 N4 C12 C11 -179.4(4) . . . . ?
Co N4 C12 C11 21.5(5) . . . . ?
N3 C11 C12 O2 160.9(4) . . . . ?
C10 C11 C12 O2 -19.9(8) . . . . ?
N3 C11 C12 N4 -18.4(5) . . . . ?
C10 C11 C12 N4 160.8(5) . . . . ?
C17 N5 C13 C14 2.2(8) . . . . ?
Cd2 N5 C13 C14 -166.3(4) . . . . ?
C17 N5 C13 N4 -176.2(5) . . . . ?
Cd2 N5 C13 N4 15.3(6) . . . . ?
C12 N4 C13 N5 -51.9(6) . . . . ?
Co N4 C13 N5 105.4(5) . . . . ?
C12 N4 C13 C14 129.6(5) . . . . ?
Co N4 C13 C14 -73.1(5) . . . . ?
N5 C13 C14 C15 -2.1(8) . . . . ?
N4 C13 C14 C15 176.3(5) . . . . ?
C13 C14 C15 C16 1.3(9) . . . . ?
C14 C15 C16 C17 -0.7(10) . . . . ?
C13 N5 C17 C16 -1.6(9) . . . . ?
Cd2 N5 C17 C16 167.3(5) . . . . ?
C15 C16 C17 N5 0.9(11) . . . . ?
C22 N6 C18 C19 0.6(9) . . . . ?
Cd1 N6 C18 C19 -175.7(5) . . . . ?
N6 C18 C19 C20 1.7(10) . . . . ?
C18 C19 C20 C21 -1.8(10) . . . . ?
C19 C20 C21 C22 -0.3(9) . . . . ?
C18 N6 C22 C21 -2.7(8) . . . . ?
Cd1 N6 C22 C21 173.0(4) . . . . ?
C18 N6 C22 N7 179.9(5) . . . . ?
Cd1 N6 C22 N7 -4.3(7) . . . . ?
C20 C21 C22 N6 2.6(8) . . . . ?
C20 C21 C22 N7 180.0(5) . . . . ?
C23 N7 C22 N6 -74.4(6) . . . . ?
Co N7 C22 N6 104.0(5) . . . . ?
C23 N7 C22 C21 108.2(6) . . . . ?
Co N7 C22 C21 -73.4(6) . . . . ?
C22 N7 C23 O3 -0.3(8) . . . . ?
Co N7 C23 O3 -178.9(5) . . . . ?
C22 N7 C23 C24 -177.8(4) . . . . ?
Co N7 C23 C24 3.6(5) . . . . ?
C28 N8 C24 C25 0.7(8) . . . . ?
Co N8 C24 C25 -179.1(4) . . . . ?
C28 N8 C24 C23 178.7(4) . . . . ?
Co N8 C24 C23 -1.1(6) . . . . ?
O3 C23 C24 N8 -179.3(5) . . . . ?
N7 C23 C24 N8 -1.7(6) . . . . ?
O3 C23 C24 C25 -1.5(9) . . . . ?
N7 C23 C24 C25 176.1(5) . . . . ?
N8 C24 C25 C26 0.3(8) . . . . ?
C23 C24 C25 C26 -177.4(6) . . . . ?
C24 C25 C26 C27 -0.6(9) . . . . ?
C25 C26 C27 C28 0.0(10) . . . . ?
C24 N8 C28 C27 -1.3(8) . . . . ?
Co N8 C28 C27 178.5(4) . . . . ?
C24 N8 C28 C29 177.5(4) . . . . ?
Co N8 C28 C29 -2.7(6) . . . . ?
C26 C27 C28 N8 0.9(8) . . . . ?
C26 C27 C28 C29 -177.7(6) . . . . ?
C30 N9 C29 O4 4.5(8) . . . . ?
Co N9 C29 O4 178.6(5) . . . . ?
C30 N9 C29 C28 -175.0(4) . . . . ?
Co N9 C29 C28 -1.0(5) . . . . ?
N8 C28 C29 O4 -177.3(5) . . . . ?
C27 C28 C29 O4 1.4(9) . . . . ?
N8 C28 C29 N9 2.3(6) . . . . ?
C27 C28 C29 N9 -179.0(5) . . . . ?
C34 N10 C30 C31 1.2(8) . . . . ?
Cd2 N10 C30 C31 -170.9(4) . . . . ?
C34 N10 C30 N9 -176.9(5) . . . . ?
Cd2 N10 C30 N9 11.0(7) . . . . ?
C29 N9 C30 N10 -96.0(6) . . . . ?
Co N9 C30 N10 90.5(5) . . . . ?
C29 N9 C30 C31 85.9(6) . . . . ?
Co N9 C30 C31 -87.6(5) . . . . ?
N10 C30 C31 C32 -0.4(9) . . . . ?
N9 C30 C31 C32 177.7(5) . . . . ?
C30 C31 C32 C33 -0.9(9) . . . . ?
C31 C32 C33 C34 1.2(10) . . . . ?
C30 N10 C34 C33 -0.8(9) . . . . ?
Cd2 N10 C34 C33 173.0(5) . . . . ?
C32 C33 C34 N10 -0.4(10) . . . . ?
N1 Cd1 O1S N1S 5.2(10) . . . . ?
N6 Cd1 O1S N1S -127.7(7) . . . . ?
O5S Cd1 O1S N1S 93.3(8) . . . . ?
O4S Cd1 O1S N1S 146.5(8) . . . . ?
O2S Cd1 O1S N1S -9.7(8) . . . . ?
O2T Cd1 O1S N1S 32(3) . . . . ?
N1 Cd1 O2S N1S -160.2(10) . . . . ?
N6 Cd1 O2S N1S 82.0(10) . . . . ?
O1S Cd1 O2S N1S 9.0(7) . . . . ?
O5S Cd1 O2S N1S -70.8(10) . . . . ?
O4S Cd1 O2S N1S -21.0(12) . . . . ?
O2T Cd1 O2S N1S -63(2) . . . . ?
N1 Cd1 O2T N1S 134(4) . . . . ?
N6 Cd1 O2T N1S 3(6) . . . . ?
O1S Cd1 O2T N1S -26.5(18) . . . . ?
O5S Cd1 O2T N1S -135(4) . . . . ?
O4S Cd1 O2T N1S -94(4) . . . . ?
O2S Cd1 O2T N1S 53(3) . . . . ?
N1 Cd1 O4S N2S 46.7(6) . . . . ?
N6 Cd1 O4S N2S 170.6(5) . . . . ?
O1S Cd1 O4S N2S -96.5(6) . . . . ?
O5S Cd1 O4S N2S -3.3(5) . . . . ?
O2S Cd1 O4S N2S -73.7(7) . . . . ?
O2T Cd1 O4S N2S -52.7(14) . . . . ?
N1 Cd1 O5S N2S -141.5(5) . . . . ?
N6 Cd1 O5S N2S -6.1(7) . . . . ?
O1S Cd1 O5S N2S 84.9(6) . . . . ?
O4S Cd1 O5S N2S 3.2(5) . . . . ?
O2S Cd1 O5S N2S 133.8(5) . . . . ?
O2T Cd1 O5S N2S 129.5(15) . . . . ?
N5 Cd2 O7S C3S 26.0(9) . . . . ?
O8S Cd2 O7S C3S -37.5(7) . . . . ?
O10S Cd2 O7S C3S -134.4(8) . . . . ?
N10 Cd2 O7S C3S 140.6(8) . . . . ?
O2 Cd2 O7S C3S 51.4(7) . . . . ?
O9S Cd2 O7S C3S -114.6(8) . . . . ?
O7S Cd2 O8S C6S -84.9(7) . . . . ?
N5 Cd2 O8S C6S 123.5(7) . . . . ?
O10S Cd2 O8S C6S -6.9(7) . . . . ?
N10 Cd2 O8S C6S -95.4(12) . . . . ?
O2 Cd2 O8S C6S -161.1(7) . . . . ?
O9S Cd2 O8S C6S 41.8(7) . . . . ?
O7S Cd2 O9S N5S -22.6(7) . . . . ?
N5 Cd2 O9S N5S 177.1(6) . . . . ?
O8S Cd2 O9S N5S -99.0(6) . . . . ?
O10S Cd2 O9S N5S 3.2(5) . . . . ?
N10 Cd2 O9S N5S 74.0(6) . . . . ?
O2 Cd2 O9S N5S -168.3(4) . . . . ?
O7S Cd2 O10S N5S 155.6(6) . . . . ?
N5 Cd2 O10S N5S -11.0(7) . . . . ?
O8S Cd2 O10S N5S 74.3(6) . . . . ?
N10 Cd2 O10S N5S -115.9(6) . . . . ?
O2 Cd2 O10S N5S 168.8(4) . . . . ?
O9S Cd2 O10S N5S -3.1(5) . . . . ?
Cd1 O1S N1S O3S -175.7(9) . . . . ?
Cd1 O1S N1S O2S 16.2(13) . . . . ?
Cd1 O1S N1S O2T -47(3) . . . . ?
Cd1 O2S N1S O1S -15.0(12) . . . . ?
Cd1 O2S N1S O3S 176.8(9) . . . . ?
Cd1 O2S N1S O2T 74(3) . . . . ?
Cd1 O2T N1S O1S 42(2) . . . . ?
Cd1 O2T N1S O3S 175.4(9) . . . . ?
Cd1 O2T N1S O2S -70.0(14) . . . . ?
Cd1 O4S N2S O6T -168(3) . . . . ?
Cd1 O4S N2S O6S 162(4) . . . . ?
Cd1 O4S N2S O5S 5.4(8) . . . . ?
Cd1 O5S N2S O6T 168(4) . . . . ?
Cd1 O5S N2S O4S -5.5(8) . . . . ?
Cd1 O5S N2S O6S -154(5) . . . . ?
Cd2 O9S N5S O11S 177.8(10) . . . . ?
Cd2 O9S N5S O10S -5.2(9) . . . . ?
Cd2 O10S N5S O9S 5.6(9) . . . . ?
Cd2 O10S N5S O11S -177.2(8) . . . . ?
Cd2 O7S C3S N3S -164.1(8) . . . . ?
C1S N3S C3S O7S 10(2) . . . . ?
C2S N3S C3S O7S -177.5(11) . . . . ?
Cd2 O8S C6S N4S 165.6(6) . . . . ?
C5S N4S C6S O8S 178.4(10) . . . . ?
C4S N4S C6S O8S -0.1(14) . . . . ?
