#------------------------------------------------------------------------------
#$Date: 2017-08-10 04:18:16 +0300 (Thu, 10 Aug 2017) $
#$Revision: 199688 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/05/7120532.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_7120532
loop_
_publ_author_name
'Zhang, Chen'
'Sikligar, Kanishka'
'Patil, Rahul S.'
'Barnes, Charles L.'
'Teat, Simon'
'Atwood, Jerry L.'
_publ_section_title
;
 Self-assembly of M7L2 Metal-Organic Nanocapsules Using Mixed Macrocycles
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06099H
_journal_year                    2017
_chemical_formula_moiety         'C129 H125 Co7 N10 O31'
_chemical_formula_sum            'C129 H125 Co7 N10 O31'
_chemical_formula_weight         2723.89
_chemical_name_common            'P3R1C4, Co, py, NO3'
_chemical_name_systematic
'C-butylpyrogallol[3]resorcin[1]arene, cobalt, pyridine, nitrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-07-27 deposited with the CCDC.
2017-08-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.26(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.060(7)
_cell_length_b                   25.535(6)
_cell_length_c                   17.029(5)
_cell_measurement_reflns_used    9987
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.22
_cell_measurement_theta_min      2.30
_cell_volume                     12616(6)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2008)'
_computing_data_collection       'APEX2 (Bruker AXS, 2008)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2008)'
_computing_molecular_graphics    'X-SEED, Barbour, 2001'
_computing_publication_material  'CIFTAB (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.1606
_diffrn_reflns_av_unetI/netI     0.1371
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            56908
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        66.882
_diffrn_reflns_theta_max         66.882
_diffrn_reflns_theta_min         2.305
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    7.693
_exptl_absorpt_correction_T_max  0.308
_exptl_absorpt_correction_T_min  0.093
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Data were corrected for decay and absorption using the program SADABS 
 (Sheldrick, G. M. (2003). SADABS. Version 2.10. University of
 Göttingen, Germany).
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_description       block
_exptl_crystal_F_000             5624
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.626
_refine_diff_density_min         -0.848
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.464
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     700
_refine_ls_number_reflns         10849
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.471
_refine_ls_R_factor_all          0.2504
_refine_ls_R_factor_gt           0.1639
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3985
_refine_ls_wR_factor_ref         0.4444
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5783
_reflns_number_total             10849
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc06099h2.cif
_cod_data_source_block           1
_cod_original_cell_volume        12616(5)
_cod_database_code               7120532
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.114
_shelx_estimated_absorpt_t_max   0.308
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co2 Co 0.41301(7) 0.58711(7) 0.10050(12) 0.0591(7) Uani 1 1 d . . .
Co1 Co 0.5000 0.53258(10) 0.2500 0.0663(10) Uani 1 2 d S T P
Co3 Co 0.37349(7) 0.71915(8) 0.03180(11) 0.0567(7) Uani 1 1 d . . .
Co4 Co 0.39192(8) 0.86145(8) 0.06296(11) 0.0665(8) Uani 1 1 d . . .
O5 O 0.5859(3) 0.6572(3) 0.4567(4) 0.050(2) Uani 1 1 d . . .
O6 O 0.5247(3) 0.5789(3) 0.4501(4) 0.051(2) Uiso 1 1 d . . .
O9 O 0.3604(3) 0.6125(3) 0.1675(5) 0.058(2) Uani 1 1 d . . .
O3 O 0.5491(3) 0.8349(3) 0.4791(4) 0.051(2) Uani 1 1 d . . .
O4 O 0.5700(3) 0.7473(3) 0.5270(4) 0.049(2) Uani 1 1 d . . .
O7 O 0.4687(3) 0.5439(3) 0.3565(5) 0.068(3) Uani 1 1 d . . .
O12 O 0.3849(3) 0.8660(3) 0.1885(4) 0.057(2) Uani 1 1 d . . .
O10 O 0.3335(3) 0.6967(3) 0.1245(4) 0.057(2) Uani 1 1 d . . .
O11 O 0.3711(3) 0.7867(3) 0.0867(4) 0.061(2) Uani 1 1 d . . .
O8 O 0.4400(3) 0.5624(3) 0.2058(5) 0.061(2) Uani 1 1 d . . .
O1 O 0.4394(4) 0.9093(3) 0.2928(5) 0.076(3) Uani 1 1 d . . .
N3P N 0.3669(4) 0.5551(4) 0.0168(6) 0.062(3) Uiso 1 1 d . . .
O2N O 0.3208(4) 0.8893(5) 0.0393(6) 0.094(3) Uani 1 1 d . . .
O3N O 0.3558(4) 0.8548(4) -0.0547(5) 0.085(3) Uani 1 1 d . . .
C10 C 0.5333(4) 0.7134(4) 0.5176(6) 0.045(3) Uani 1 1 d . . .
C26 C 0.3655(4) 0.8206(4) 0.2159(6) 0.042(3) Uani 1 1 d . . .
N4P N 0.5000 0.4524(5) 0.2500 0.065(5) Uani 1 2 d S T P
C18 C 0.4156(5) 0.5808(5) 0.2680(7) 0.058(3) Uiso 1 1 d . . .
C16 C 0.4088(4) 0.5990(5) 0.4038(6) 0.050(3) Uiso 1 1 d . . .
C2 C 0.4131(4) 0.8519(4) 0.3900(6) 0.045(3) Uani 1 1 d . . .
C3 C 0.4481(5) 0.8784(4) 0.3577(6) 0.050(3) Uani 1 1 d . . .
N1P N 0.4106(4) 0.9392(4) 0.0486(6) 0.071(3) Uani 1 1 d . . .
C25 C 0.3587(4) 0.7805(5) 0.1619(6) 0.048(3) Uiso 1 1 d . . .
C11 C 0.5439(4) 0.6656(4) 0.4867(6) 0.044(3) Uani 1 1 d . . .
C22 C 0.3365(4) 0.7651(5) 0.3135(7) 0.055(3) Uani 1 1 d . . .
H22 H 0.3283 0.7600 0.3662 0.066 Uiso 1 1 calc R U .
C17 C 0.4313(5) 0.5750(5) 0.3440(6) 0.053(3) Uiso 1 1 d . . .
C15P C 0.3822(5) 0.5349(4) -0.0499(7) 0.051(3) Uani 1 1 d . . .
H15P H 0.4145 0.5314 -0.0542 0.061 Uiso 1 1 calc R U .
C23 C 0.3301(4) 0.7241(4) 0.2613(6) 0.046(3) Uani 1 1 d . . .
C9 C 0.4893(5) 0.7256(4) 0.5379(5) 0.048(3) Uani 1 1 d . . .
C20 C 0.3530(4) 0.6340(5) 0.3061(6) 0.050(3) Uiso 1 1 d . . .
C1 C 0.4234(5) 0.8212(4) 0.4558(6) 0.049(3) Uani 1 1 d . . .
H1 H 0.3991 0.8032 0.4793 0.059 Uiso 1 1 calc R U .
N2P N 0.3288(4) 0.7093(4) -0.0571(6) 0.066(3) Uani 1 1 d D . .
C19 C 0.3759(4) 0.6094(5) 0.2476(7) 0.054(3) Uani 1 1 d . . .
C6 C 0.4695(4) 0.8160(4) 0.4896(6) 0.044(3) Uani 1 1 d . . .
C7 C 0.4789(4) 0.7805(4) 0.5621(6) 0.051(3) Uani 1 1 d D . .
H7 H 0.5076 0.7942 0.5901 0.061 Uiso 1 1 calc R U .
C12 C 0.5103(4) 0.6267(5) 0.4803(6) 0.046(3) Uiso 1 1 d . . .
C18P C 0.5227(5) 0.4249(5) 0.1956(6) 0.065(4) Uani 1 1 d . . .
H18P H 0.5389 0.4435 0.1575 0.078 Uiso 1 1 calc R U .
C14 C 0.4298(4) 0.5949(4) 0.4890(7) 0.059(4) Uani 1 1 d D . .
H14 H 0.4463 0.5605 0.4933 0.070 Uiso 1 1 calc R U .
C27 C 0.3545(4) 0.8144(4) 0.2926(6) 0.049(3) Uani 1 1 d . . .
C21 C 0.3110(4) 0.6713(5) 0.2851(7) 0.058(3) Uani 1 1 d D . .
H21 H 0.2952 0.6564 0.2364 0.070 Uiso 1 1 calc R U .
C15 C 0.3703(4) 0.6292(4) 0.3827(7) 0.054(3) Uani 1 1 d . . .
H15 H 0.3552 0.6472 0.4228 0.065 Uiso 1 1 calc R U .
C13 C 0.4648(4) 0.6357(4) 0.5009(6) 0.050(3) Uani 1 1 d . . .
C5 C 0.5047(5) 0.8409(4) 0.4542(6) 0.047(3) Uani 1 1 d . . .
C24 C 0.3408(4) 0.7331(5) 0.1830(7) 0.052(3) Uani 1 1 d . . .
C8 C 0.4565(5) 0.6861(5) 0.5273(6) 0.053(3) Uani 1 1 d . . .
H8 H 0.4258 0.6944 0.5391 0.064 Uiso 1 1 calc R U .
C28 C 0.3639(5) 0.8568(4) 0.3558(6) 0.055(3) Uani 1 1 d D . .
H28 H 0.3625 0.8910 0.3272 0.066 Uiso 1 1 calc R U .
N1N N 0.3202(6) 0.8709(6) -0.0302(9) 0.093(4) Uani 1 1 d . . .
C29 C 0.4403(4) 0.7834(5) 0.6219(6) 0.057(4) Uani 1 1 d D . .
H29A H 0.4105 0.7737 0.5948 0.068 Uiso 1 1 calc R U .
H29B H 0.4471 0.7577 0.6645 0.068 Uiso 1 1 calc R U .
C1P C 0.4300(5) 0.9540(5) -0.0169(7) 0.068(4) Uani 1 1 d . . .
H1P H 0.4330 0.9287 -0.0571 0.082 Uiso 1 1 calc R U .
C14P C 0.3533(6) 0.5192(5) -0.1121(7) 0.070(4) Uani 1 1 d . . .
H14P H 0.3651 0.5010 -0.1554 0.084 Uiso 1 1 calc R U .
O5N O 0.5000 0.9712(10) 0.2500 0.159(9) Uani 1 2 d S T P
C4 C 0.4934(6) 0.8728(4) 0.3863(7) 0.061(4) Uani 1 1 d . . .
H4 H 0.5173 0.8902 0.3607 0.073 Uiso 1 1 calc R U .
C37 C 0.2753(5) 0.6729(5) 0.3451(8) 0.069(4) Uani 1 1 d D . .
H37A H 0.2628 0.6370 0.3505 0.083 Uiso 1 1 calc R U .
H37B H 0.2908 0.6823 0.3964 0.083 Uiso 1 1 calc R U .
O1N O 0.2848(5) 0.8765(6) -0.0749(8) 0.126(5) Uani 1 1 d . . .
C41 C 0.3270(5) 0.8597(5) 0.4157(7) 0.067(4) Uani 1 1 d D . .
H41A H 0.3228 0.8244 0.4381 0.081 Uiso 1 1 calc R U .
H41B H 0.3380 0.8831 0.4592 0.081 Uiso 1 1 calc R U .
C2P C 0.4456(6) 1.0034(6) -0.0294(8) 0.084(5) Uani 1 1 d . . .
H2P H 0.4620 1.0111 -0.0747 0.101 Uiso 1 1 calc R U .
C17P C 0.5227(5) 0.3717(4) 0.1944(6) 0.069(4) Uani 1 1 d . . .
H17P H 0.5385 0.3536 0.1552 0.083 Uiso 1 1 calc R U .
C33 C 0.3918(5) 0.5936(6) 0.5482(9) 0.086(5) Uani 1 1 d D . .
H33A H 0.3810 0.6298 0.5565 0.103 Uiso 1 1 calc R U .
H33B H 0.3655 0.5732 0.5252 0.103 Uiso 1 1 calc R U .
O4N O 0.5321(7) 1.0449(6) 0.2143(9) 0.173(7) Uani 1 1 d . . .
C16P C 0.5000 0.3436(7) 0.2500 0.093(8) Uani 1 2 d S T P
H16P H 0.5000 0.3064 0.2500 0.112 Uiso 1 2 calc R U P
N2N N 0.5000 1.0219(8) 0.2500 0.108(7) Uani 1 2 d S T P
C30 C 0.4361(7) 0.8366(6) 0.6570(9) 0.110(6) Uani 1 1 d D . .
H30A H 0.4259 0.8615 0.6150 0.132 Uiso 1 1 calc R U .
H30B H 0.4668 0.8480 0.6785 0.132 Uiso 1 1 calc R U .
C3P C 0.4372(5) 1.0423(6) 0.0249(8) 0.072(4) Uani 1 1 d . . .
H3P H 0.4433 1.0781 0.0146 0.086 Uiso 1 1 calc R U .
C13P C 0.3070(6) 0.5303(6) -0.1106(9) 0.093(5) Uani 1 1 d . . .
H13P H 0.2863 0.5248 -0.1550 0.111 Uiso 1 1 calc R U .
C34 C 0.4054(8) 0.5724(7) 0.6197(11) 0.150(10) Uani 1 1 d D . .
H34A H 0.4327 0.5919 0.6413 0.180 Uiso 1 1 calc R U .
H34B H 0.4152 0.5357 0.6112 0.180 Uiso 1 1 calc R U .
C5P C 0.4085(7) 0.9765(6) 0.1052(9) 0.106(7) Uani 1 1 d . . .
H5P H 0.3987 0.9662 0.1551 0.127 Uiso 1 1 calc R U .
C11P C 0.3214(5) 0.5617(8) 0.0215(12) 0.121(8) Uani 1 1 d . . .
H11P H 0.3093 0.5747 0.0684 0.145 Uiso 1 1 calc R U .
C12P C 0.2928(7) 0.5495(9) -0.0420(14) 0.138(9) Uani 1 1 d . . .
H12P H 0.2607 0.5549 -0.0379 0.166 Uiso 1 1 calc R U .
C4P C 0.4195(7) 1.0263(6) 0.0947(8) 0.110(7) Uani 1 1 d . . .
H4P H 0.4153 1.0511 0.1352 0.132 Uiso 1 1 calc R U .
C7P C 0.2510(9) 0.6875(11) -0.1052(15) 0.24(2) Uani 1 1 d D . .
H7P H 0.2210 0.6774 -0.0919 0.288 Uiso 1 1 calc R U .
C35 C 0.3683(11) 0.5723(15) 0.6829(18) 0.250 Uiso 1 1 d D U .
H35A H 0.3835 0.5655 0.7354 0.300 Uiso 1 1 calc R U .
H35B H 0.3535 0.6072 0.6843 0.300 Uiso 1 1 calc R U .
C8P C 0.2616(6) 0.6929(10) -0.1785(15) 0.146(9) Uani 1 1 d D . .
H8P H 0.2386 0.6905 -0.2203 0.175 Uiso 1 1 calc R U .
C31 C 0.4023(8) 0.8390(9) 0.7223(12) 0.141(8) Uani 1 1 d D . .
H31A H 0.3929 0.8759 0.7295 0.170 Uiso 1 1 calc R U .
H31B H 0.3744 0.8188 0.7058 0.170 Uiso 1 1 calc R U .
C42 C 0.2832(10) 0.8785(15) 0.3836(18) 0.250 Uiso 1 1 d D U .
H42A H 0.2714 0.8547 0.3412 0.300 Uiso 1 1 calc R U .
H42B H 0.2871 0.9137 0.3605 0.300 Uiso 1 1 calc R U .
C32 C 0.4195(12) 0.8203(15) 0.7916(18) 0.250 Uiso 1 1 d D U .
H32A H 0.3961 0.8231 0.8307 0.375 Uiso 1 1 calc R U .
H32B H 0.4281 0.7835 0.7856 0.375 Uiso 1 1 calc R U .
H32C H 0.4467 0.8407 0.8093 0.375 Uiso 1 1 calc R U .
C6P C 0.2861(7) 0.6973(8) -0.0474(14) 0.156(9) Uani 1 1 d D . .
H6P H 0.2776 0.6950 0.0055 0.188 Uiso 1 1 calc R U .
C38 C 0.2363(8) 0.7085(10) 0.3304(15) 0.188(13) Uani 1 1 d D . .
H38A H 0.2201 0.6985 0.2799 0.225 Uiso 1 1 calc R U .
H38B H 0.2486 0.7443 0.3240 0.225 Uiso 1 1 calc R U .
C36 C 0.3315(11) 0.5306(14) 0.665(2) 0.250 Uiso 1 1 d D U .
H36A H 0.3088 0.5315 0.7050 0.375 Uiso 1 1 calc R U .
H36B H 0.3161 0.5377 0.6130 0.375 Uiso 1 1 calc R U .
H36C H 0.3461 0.4960 0.6641 0.375 Uiso 1 1 calc R U .
C9P C 0.3083(10) 0.7025(13) -0.1935(17) 0.250 Uiso 1 1 d D U .
H9P H 0.3169 0.7046 -0.2464 0.300 Uiso 1 1 calc R U .
C39 C 0.2001(12) 0.7102(13) 0.395(2) 0.250 Uiso 1 1 d D U .
H39A H 0.1704 0.6960 0.3734 0.300 Uiso 1 1 calc R U .
H39B H 0.2108 0.6875 0.4399 0.300 Uiso 1 1 calc R U .
C10P C 0.3422(8) 0.7091(13) -0.1316(12) 0.228(17) Uani 1 1 d D . .
H10P H 0.3737 0.7133 -0.1422 0.273 Uiso 1 1 calc R U .
C43 C 0.2463(10) 0.8816(15) 0.452(2) 0.250 Uiso 1 1 d D U .
H43A H 0.2175 0.9000 0.4341 0.300 Uiso 1 1 calc R U .
H43B H 0.2390 0.8468 0.4734 0.300 Uiso 1 1 calc R U .
C44 C 0.2792(12) 0.9163(14) 0.5115(18) 0.250 Uiso 1 1 d D U .
H44A H 0.2632 0.9234 0.5595 0.375 Uiso 1 1 calc R U .
H44B H 0.3078 0.8971 0.5249 0.375 Uiso 1 1 calc R U .
H44C H 0.2866 0.9495 0.4862 0.375 Uiso 1 1 calc R U .
C40 C 0.1922(13) 0.7662(13) 0.426(2) 0.250 Uiso 1 1 d D U .
H40A H 0.1694 0.7652 0.4665 0.375 Uiso 1 1 calc R U .
H40B H 0.2214 0.7802 0.4492 0.375 Uiso 1 1 calc R U .
H40C H 0.1809 0.7886 0.3827 0.375 Uiso 1 1 calc R U .
C19P C 0.5155(8) 0.7242(10) 0.1726(14) 0.137(9) Uani 1 1 d D . .
C20P C 0.5449(7) 0.7268(12) 0.2317(16) 0.157(11) Uani 1 1 d D . .
C21P C 0.5288(16) 0.7273(15) 0.3111(18) 0.250 Uiso 1 1 d D U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O8 Co2 O5 133.1(3) . 2_655
O8 Co2 O6 91.9(3) . 2_655
O5 Co2 O6 81.5(3) 2_655 2_655
O8 Co2 O9 82.5(3) . .
O5 Co2 O9 91.2(3) 2_655 .
O6 Co2 O9 163.8(3) 2_655 .
O8 Co2 N3P 133.9(4) . .
O5 Co2 N3P 92.5(4) 2_655 .
O6 Co2 N3P 102.8(4) 2_655 .
O9 Co2 N3P 91.9(4) . .
O8 Co1 O8 135.4(4) . 2_655
O8 Co1 N4P 112.3(2) . .
O8 Co1 N4P 112.3(2) 2_655 .
O8 Co1 O7 91.9(3) . 2_655
O8 Co1 O7 82.1(3) 2_655 2_655
N4P Co1 O7 97.9(2) . 2_655
O8 Co1 O7 82.0(3) . .
O8 Co1 O7 91.9(3) 2_655 .
N4P Co1 O7 97.9(2) . .
O7 Co1 O7 164.2(4) 2_655 .
N2P Co3 O11 116.2(4) . .
N2P Co3 O5 109.9(4) . 2_655
O11 Co3 O5 133.8(4) . 2_655
N2P Co3 O10 100.1(4) . .
O11 Co3 O10 81.1(3) . .
O5 Co3 O10 93.4(3) 2_655 .
N2P Co3 O4 100.3(4) . 2_655
O11 Co3 O4 88.6(3) . 2_655
O5 Co3 O4 81.0(3) 2_655 2_655
O10 Co3 O4 159.6(3) . 2_655
O3 Co4 O11 91.3(3) 2_655 .
O3 Co4 N1P 92.7(4) 2_655 .
O11 Co4 N1P 174.8(3) . .
O3 Co4 O12 120.0(3) 2_655 .
O11 Co4 O12 79.0(3) . .
N1P Co4 O12 96.1(3) . .
O3 Co4 O2N 148.6(4) 2_655 .
O11 Co4 O2N 93.0(4) . .
N1P Co4 O2N 85.4(5) . .
O12 Co4 O2N 91.3(3) . .
O3 Co4 O3N 91.2(4) 2_655 .
O11 Co4 O3N 88.7(4) . .
N1P Co4 O3N 94.6(4) . .
O12 Co4 O3N 146.3(4) . .
O2N Co4 O3N 57.8(4) . .
C11 O5 Co3 112.2(6) . 2_655
C11 O5 Co2 110.8(7) . 2_655
Co3 O5 Co2 136.5(3) 2_655 2_655
C12 O6 Co2 110.7(7) . 2_655
C19 O9 Co2 108.0(7) . .
C5 O3 Co4 132.2(7) . 2_655
C10 O4 Co3 110.5(6) . 2_655
C17 O7 Co1 109.2(7) . .
C26 O12 Co4 110.6(6) . .
C24 O10 Co3 107.0(6) . .
C25 O11 Co3 111.4(7) . .
C25 O11 Co4 113.1(7) . .
Co3 O11 Co4 134.8(4) . .
C18 O8 Co1 108.2(8) . .
C18 O8 Co2 112.5(8) . .
Co1 O8 Co2 137.5(3) . .
C11P N3P C15P 118.3(12) . .
C11P N3P Co2 120.8(10) . .
C15P N3P Co2 120.1(10) . .
N1N O2N Co4 90.8(10) . .
N1N O3N Co4 91.9(10) . .
C11 C10 C9 121.9(11) . .
C11 C10 O4 114.5(10) . .
C9 C10 O4 123.5(10) . .
C27 C26 O12 122.6(10) . .
C27 C26 C25 121.1(10) . .
O12 C26 C25 116.3(9) . .
C18P N4P C18P 118.0(14) 2_655 .
C18P N4P Co1 121.0(7) 2_655 .
C18P N4P Co1 121.0(7) . .
C17 C18 O8 122.2(13) . .
C17 C18 C19 121.6(12) . .
O8 C18 C19 116.0(10) . .
C17 C16 C15 117.6(11) . .
C17 C16 C14 118.8(11) . .
C15 C16 C14 123.4(10) . .
C3 C2 C1 118.4(12) . .
C3 C2 C28 120.8(10) . .
C1 C2 C28 120.9(11) . .
C2 C3 O1 120.4(13) . .
C2 C3 C4 121.5(11) . .
O1 C3 C4 118.0(12) . .
C1P N1P C5P 115.7(12) . .
C1P N1P Co4 119.7(9) . .
C5P N1P Co4 124.3(8) . .
O11 C25 C24 118.3(10) . .
O11 C25 C26 120.3(10) . .
C24 C25 C26 121.3(10) . .
O5 C11 C10 120.5(10) . .
O5 C11 C12 119.8(10) . .
C10 C11 C12 119.5(11) . .
C23 C22 C27 123.3(10) . .
C23 C22 H22 118.3 . .
C27 C22 H22 118.3 . .
O7 C17 C18 115.9(12) . .
O7 C17 C16 123.6(11) . .
C18 C17 C16 120.5(13) . .
N3P C15P C14P 123.2(12) . .
N3P C15P H15P 118.4 . .
C14P C15P H15P 118.4 . .
C22 C23 C24 117.4(10) . .
C22 C23 C21 122.5(10) . .
C24 C23 C21 120.1(10) . .
C10 C9 C8 116.2(10) . .
C10 C9 C7 119.1(11) . .
C8 C9 C7 124.4(11) . .
C15 C20 C19 118.6(11) . .
C15 C20 C21 120.3(10) . .
C19 C20 C21 120.8(10) . .
C2 C1 C6 122.1(11) . .
C2 C1 H1 118.9 . .
C6 C1 H1 118.9 . .
C6P N2P C10P 116.7(16) . .
C6P N2P Co3 122.0(13) . .
C10P N2P Co3 120.9(11) . .
C20 C19 C18 119.0(12) . .
C20 C19 O9 122.0(11) . .
C18 C19 O9 119.0(10) . .
C5 C6 C1 118.8(10) . .
C5 C6 C7 121.5(11) . .
C1 C6 C7 119.7(10) . .
C9 C7 C6 111.1(8) . .
C9 C7 C29 112.9(9) . .
C6 C7 C29 113.2(9) . .
C9 C7 H7 106.4 . .
C6 C7 H7 106.4 . .
C29 C7 H7 106.4 . .
C11 C12 O6 115.4(10) . .
C11 C12 C13 122.0(11) . .
O6 C12 C13 122.6(10) . .
C17P C18P N4P 121.8(12) . .
C17P C18P H18P 119.1 . .
N4P C18P H18P 119.1 . .
C13 C14 C33 116.3(11) . .
C13 C14 C16 108.5(9) . .
C33 C14 C16 110.9(11) . .
C13 C14 H14 106.9 . .
C33 C14 H14 106.9 . .
C16 C14 H14 106.9 . .
C26 C27 C22 116.8(10) . .
C26 C27 C28 122.9(10) . .
C22 C27 C28 120.1(9) . .
C37 C21 C23 115.8(10) . .
C37 C21 C20 114.9(10) . .
C23 C21 C20 107.9(9) . .
C37 C21 H21 105.8 . .
C23 C21 H21 105.8 . .
C20 C21 H21 105.8 . .
C20 C15 C16 122.6(11) . .
C20 C15 H15 118.7 . .
C16 C15 H15 118.7 . .
C8 C13 C12 114.5(11) . .
C8 C13 C14 125.0(11) . .
C12 C13 C14 120.4(10) . .
O3 C5 C6 122.3(11) . .
O3 C5 C4 119.4(11) . .
C6 C5 C4 118.3(12) . .
O10 C24 C25 116.9(10) . .
O10 C24 C23 123.1(10) . .
C25 C24 C23 120.0(11) . .
C13 C8 C9 125.7(11) . .
C13 C8 H8 117.2 . .
C9 C8 H8 117.2 . .
C2 C28 C41 115.5(10) . .
C2 C28 C27 109.5(9) . .
C41 C28 C27 113.5(11) . .
C2 C28 H28 105.8 . .
C41 C28 H28 105.8 . .
C27 C28 H28 105.8 . .
O3N N1N O1N 121.2(15) . .
O3N N1N O2N 118.7(16) . .
O1N N1N O2N 119.4(14) . .
C30 C29 C7 112.6(11) . .
C30 C29 H29A 109.1 . .
C7 C29 H29A 109.1 . .
C30 C29 H29B 109.1 . .
C7 C29 H29B 109.1 . .
H29A C29 H29B 107.8 . .
N1P C1P C2P 123.6(13) . .
N1P C1P H1P 118.2 . .
C2P C1P H1P 118.2 . .
C15P C14P C13P 118.6(12) . .
C15P C14P H14P 120.7 . .
C13P C14P H14P 120.7 . .
C3 C4 C5 120.8(11) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
C38 C37 C21 117.4(13) . .
C38 C37 H37A 108.0 . .
C21 C37 H37A 108.0 . .
C38 C37 H37B 108.0 . .
C21 C37 H37B 108.0 . .
H37A C37 H37B 107.2 . .
C42 C41 C28 113.7(16) . .
C42 C41 H41A 108.8 . .
C28 C41 H41A 108.8 . .
C42 C41 H41B 108.8 . .
C28 C41 H41B 108.8 . .
H41A C41 H41B 107.7 . .
C1P C2P C3P 119.1(12) . .
C1P C2P H2P 120.5 . .
C3P C2P H2P 120.5 . .
C18P C17P C16P 120.4(12) . .
C18P C17P H17P 119.8 . .
C16P C17P H17P 119.8 . .
C34 C33 C14 114.3(13) . .
C34 C33 H33A 108.7 . .
C14 C33 H33A 108.7 . .
C34 C33 H33B 108.7 . .
C14 C33 H33B 108.7 . .
H33A C33 H33B 107.6 . .
C17P C16P C17P 117.7(16) . 2_655
C17P C16P H16P 121.2 . .
C17P C16P H16P 121.2 2_655 .
O4N N2N O4N 125(2) 2_655 .
O4N N2N O5N 117.3(11) 2_655 .
O4N N2N O5N 117.3(11) . .
C29 C30 C31 113.6(15) . .
C29 C30 H30A 108.8 . .
C31 C30 H30A 108.8 . .
C29 C30 H30B 108.8 . .
C31 C30 H30B 108.8 . .
H30A C30 H30B 107.7 . .
C4P C3P C2P 116.8(13) . .
C4P C3P H3P 121.6 . .
C2P C3P H3P 121.6 . .
C12P C13P C14P 115.9(18) . .
C12P C13P H13P 122.0 . .
C14P C13P H13P 122.0 . .
C33 C34 C35 116(2) . .
C33 C34 H34A 108.3 . .
C35 C34 H34A 108.3 . .
C33 C34 H34B 108.3 . .
C35 C34 H34B 108.3 . .
H34A C34 H34B 107.4 . .
C4P C5P N1P 123.7(13) . .
C4P C5P H5P 118.1 . .
N1P C5P H5P 118.1 . .
N3P C11P C12P 118.9(15) . .
N3P C11P H11P 120.6 . .
C12P C11P H11P 120.6 . .
C13P C12P C11P 124.5(18) . .
C13P C12P H12P 117.7 . .
C11P C12P H12P 117.7 . .
C5P C4P C3P 120.1(14) . .
C5P C4P H4P 119.9 . .
C3P C4P H4P 119.9 . .
C8P C7P C6P 117(2) . .
C8P C7P H7P 121.6 . .
C6P C7P H7P 121.6 . .
C36 C35 C34 111(3) . .
C36 C35 H35A 109.4 . .
C34 C35 H35A 109.4 . .
C36 C35 H35B 109.4 . .
C34 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
C7P C8P C9P 118(2) . .
C7P C8P H8P 121.0 . .
C9P C8P H8P 121.0 . .
C32 C31 C30 114(2) . .
C32 C31 H31A 108.8 . .
C30 C31 H31A 108.8 . .
C32 C31 H31B 108.8 . .
C30 C31 H31B 108.8 . .
H31A C31 H31B 107.7 . .
C41 C42 C43 110(2) . .
C41 C42 H42A 109.6 . .
C43 C42 H42A 109.6 . .
C41 C42 H42B 109.6 . .
C43 C42 H42B 109.6 . .
H42A C42 H42B 108.1 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N2P C6P C7P 128(2) . .
N2P C6P H6P 116.0 . .
C7P C6P H6P 116.0 . .
C37 C38 C39 116(2) . .
C37 C38 H38A 108.3 . .
C39 C38 H38A 108.3 . .
C37 C38 H38B 108.3 . .
C39 C38 H38B 108.3 . .
H38A C38 H38B 107.4 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C10P C9P C8P 121(2) . .
C10P C9P H9P 119.3 . .
C8P C9P H9P 119.3 . .
C40 C39 C38 112(3) . .
C40 C39 H39A 109.1 . .
C38 C39 H39A 109.1 . .
C40 C39 H39B 109.1 . .
C38 C39 H39B 109.1 . .
H39A C39 H39B 107.8 . .
N2P C10P C9P 118(2) . .
N2P C10P H10P 120.8 . .
C9P C10P H10P 120.8 . .
C44 C43 C42 95(2) . .
C44 C43 H43A 112.8 . .
C42 C43 H43A 112.8 . .
C44 C43 H43B 112.8 . .
C42 C43 H43B 112.8 . .
H43A C43 H43B 110.2 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C20P C19P C21P 116(2) . 2_655
C19P C20P C21P 120(2) . .
C19P C21P C20P 124(3) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co2 O8 2.017(9) .
Co2 O5 2.038(8) 2_655
Co2 O6 2.059(8) 2_655
Co2 O9 2.065(7) .
Co2 N3P 2.069(11) .
Co1 O8 2.009(9) .
Co1 O8 2.009(9) 2_655
Co1 N4P 2.047(13) .
Co1 O7 2.096(8) 2_655
Co1 O7 2.096(8) .
Co3 N2P 1.954(12) .
Co3 O11 1.965(8) .
Co3 O5 1.977(8) 2_655
Co3 O10 2.093(7) .
Co3 O4 2.098(7) 2_655
Co4 O3 2.012(8) 2_655
Co4 O11 2.050(8) .
Co4 N1P 2.077(11) .
Co4 O12 2.162(7) .
Co4 O2N 2.200(11) .
Co4 O3N 2.214(10) .
O5 C11 1.368(12) .
O5 Co3 1.977(8) 2_655
O5 Co2 2.038(8) 2_655
O6 C12 1.400(13) .
O6 Co2 2.059(8) 2_655
O9 C19 1.414(14) .
O3 C5 1.343(14) .
O3 Co4 2.012(8) 2_655
O4 C10 1.378(13) .
O4 Co3 2.098(7) 2_655
O7 C17 1.353(14) .
O12 C26 1.381(12) .
O10 C24 1.370(13) .
O11 C25 1.359(13) .
O8 C18 1.390(14) .
O1 C3 1.370(13) .
N3P C11P 1.338(17) .
N3P C15P 1.345(13) .
O2N N1N 1.272(16) .
O3N N1N 1.209(14) .
C10 C11 1.372(15) .
C10 C9 1.377(15) .
C26 C27 1.371(13) .
C26 C25 1.383(14) .
N4P C18P 1.361(12) 2_655
N4P C18P 1.361(12) .
C18 C17 1.356(16) .
C18 C19 1.393(17) .
C16 C17 1.383(16) .
C16 C15 1.390(16) .
C16 C14 1.545(17) .
C2 C3 1.363(16) .
C2 C1 1.385(15) .
C2 C28 1.518(17) .
C3 C4 1.386(18) .
N1P C1P 1.331(14) .
N1P C5P 1.357(18) .
C25 C24 1.374(15) .
C11 C12 1.391(15) .
C22 C23 1.379(15) .
C22 C27 1.418(16) .
C22 H22 0.9500 .
C15P C14P 1.372(18) .
C15P H15P 0.9500 .
C23 C24 1.404(14) .
C23 C21 1.523(15) .
C9 C8 1.392(16) .
C9 C7 1.498(14) .
C20 C15 1.376(16) .
C20 C19 1.380(15) .
C20 C21 1.572(17) .
C1 C6 1.435(16) .
C1 H1 0.9500 .
N2P C6P 1.296(18) .
N2P C10P 1.35(2) .
C6 C5 1.374(15) .
C6 C7 1.542(15) .
C7 C29 1.559(14) .
C7 H7 1.0000 .
C12 C13 1.406(15) .
C18P C17P 1.360(16) .
C18P H18P 0.9500 .
C14 C13 1.462(17) .
C14 C33 1.537(15) .
C14 H14 1.0000 .
C27 C28 1.541(15) .
C21 C37 1.499(14) .
C21 H21 1.0000 .
C15 H15 0.9500 .
C13 C8 1.388(15) .
C5 C4 1.436(17) .
C8 H8 0.9500 .
C28 C41 1.523(15) .
C28 H28 1.0000 .
N1N O1N 1.253(17) .
C29 C30 1.491(16) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C1P C2P 1.361(18) .
C1P H1P 0.9500 .
C14P C13P 1.38(2) .
C14P H14P 0.9500 .
O5N N2N 1.29(2) .
C4 H4 0.9500 .
C37 C38 1.46(2) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C41 C42 1.44(3) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C2P C3P 1.388(18) .
C2P H2P 0.9500 .
C17P C16P 1.385(15) .
C17P H17P 0.9500 .
C33 C34 1.371(19) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
O4N N2N 1.285(15) .
C16P C17P 1.385(15) 2_655
C16P H16P 0.9500 .
N2N O4N 1.285(15) 2_655
C30 C31 1.527(19) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C3P C4P 1.381(18) .
C3P H3P 0.9500 .
C13P C12P 1.35(2) .
C13P H13P 0.9500 .
C34 C35 1.57(3) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C5P C4P 1.33(2) .
C5P H5P 0.9500 .
C11P C12P 1.36(3) .
C11P H11P 0.9500 .
C12P H12P 0.9500 .
C4P H4P 0.9500 .
C7P C8P 1.31(2) .
C7P C6P 1.40(2) .
C7P H7P 0.9500 .
C35 C36 1.53(3) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C8P C9P 1.42(2) .
C8P H8P 0.9500 .
C31 C32 1.34(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C42 C43 1.62(3) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C6P H6P 0.9500 .
C38 C39 1.57(3) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C9P C10P 1.41(2) .
C9P H9P 0.9500 .
C39 C40 1.54(3) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C10P H10P 0.9500 .
C43 C44 1.62(3) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C19P C20P 1.28(2) .
C19P C21P 1.34(4) 2_655
C20P C21P 1.46(3) .
C21P C19P 1.34(4) 2_655
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_4
Co3 O4 C10 C11 12.0(10) 2_655 .
Co3 O4 C10 C9 -168.6(8) 2_655 .
Co4 O12 C26 C27 -175.8(9) . .
Co4 O12 C26 C25 6.0(12) . .
Co1 O8 C18 C17 -3.5(14) . .
Co2 O8 C18 C17 -170.8(10) . .
Co1 O8 C18 C19 171.4(9) . .
Co2 O8 C18 C19 4.1(13) . .
C1 C2 C3 O1 -179.8(9) . .
C28 C2 C3 O1 -1.3(15) . .
C1 C2 C3 C4 4.0(16) . .
C28 C2 C3 C4 -177.5(10) . .
Co3 O11 C25 C24 -13.4(14) . .
Co4 O11 C25 C24 175.0(9) . .
Co3 O11 C25 C26 164.6(9) . .
Co4 O11 C25 C26 -6.9(14) . .
C27 C26 C25 O11 -177.9(11) . .
O12 C26 C25 O11 0.4(16) . .
C27 C26 C25 C24 0.1(19) . .
O12 C26 C25 C24 178.3(11) . .
Co3 O5 C11 C10 2.2(12) 2_655 .
Co2 O5 C11 C10 -170.6(8) 2_655 .
Co3 O5 C11 C12 177.2(8) 2_655 .
Co2 O5 C11 C12 4.4(11) 2_655 .
C9 C10 C11 O5 170.5(9) . .
O4 C10 C11 O5 -10.0(14) . .
C9 C10 C11 C12 -4.4(16) . .
O4 C10 C11 C12 175.0(9) . .
Co1 O7 C17 C18 15.8(13) . .
Co1 O7 C17 C16 -165.7(10) . .
O8 C18 C17 O7 -9.0(18) . .
C19 C18 C17 O7 176.4(11) . .
O8 C18 C17 C16 172.5(11) . .
C19 C18 C17 C16 -2(2) . .
C15 C16 C17 O7 -178.9(10) . .
C14 C16 C17 O7 6.2(18) . .
C15 C16 C17 C18 -0.5(18) . .
C14 C16 C17 C18 -175.3(11) . .
C11P N3P C15P C14P -2(2) . .
Co2 N3P C15P C14P -171.4(9) . .
C27 C22 C23 C24 -2.3(19) . .
C27 C22 C23 C21 179.5(11) . .
C11 C10 C9 C8 1.7(15) . .
O4 C10 C9 C8 -177.7(9) . .
C11 C10 C9 C7 -172.7(10) . .
O4 C10 C9 C7 8.0(15) . .
C3 C2 C1 C6 -1.2(15) . .
C28 C2 C1 C6 -179.7(9) . .
C15 C20 C19 C18 -0.3(17) . .
C21 C20 C19 C18 173.8(10) . .
C15 C20 C19 O9 -180.0(9) . .
C21 C20 C19 O9 -5.9(17) . .
C17 C18 C19 C20 2.6(19) . .
O8 C18 C19 C20 -172.4(10) . .
C17 C18 C19 O9 -177.7(11) . .
O8 C18 C19 O9 7.3(16) . .
Co2 O9 C19 C20 165.4(9) . .
Co2 O9 C19 C18 -14.3(12) . .
C2 C1 C6 C5 -1.9(15) . .
C2 C1 C6 C7 -178.9(9) . .
C10 C9 C7 C6 81.7(13) . .
C8 C9 C7 C6 -92.2(12) . .
C10 C9 C7 C29 -150.0(10) . .
C8 C9 C7 C29 36.1(15) . .
C5 C6 C7 C9 -87.0(14) . .
C1 C6 C7 C9 89.9(12) . .
C5 C6 C7 C29 144.8(11) . .
C1 C6 C7 C29 -38.3(14) . .
O5 C11 C12 O6 6.6(14) . .
C10 C11 C12 O6 -178.4(9) . .
O5 C11 C12 C13 -171.7(9) . .
C10 C11 C12 C13 3.3(16) . .
Co2 O6 C12 C11 -13.9(10) 2_655 .
Co2 O6 C12 C13 164.4(8) 2_655 .
C18P N4P C18P C17P 0.5(10) 2_655 .
Co1 N4P C18P C17P -179.5(10) . .
C17 C16 C14 C13 83.9(13) . .
C15 C16 C14 C13 -90.6(13) . .
C17 C16 C14 C33 -147.2(12) . .
C15 C16 C14 C33 38.3(15) . .
O12 C26 C27 C22 -177.6(10) . .
C25 C26 C27 C22 0.5(17) . .
O12 C26 C27 C28 -1.6(18) . .
C25 C26 C27 C28 176.5(11) . .
C23 C22 C27 C26 0.6(18) . .
C23 C22 C27 C28 -175.5(11) . .
C22 C23 C21 C37 35.0(18) . .
C24 C23 C21 C37 -143.1(12) . .
C22 C23 C21 C20 -95.3(13) . .
C24 C23 C21 C20 86.5(14) . .
C15 C20 C21 C37 -36.7(16) . .
C19 C20 C21 C37 149.3(12) . .
C15 C20 C21 C23 94.1(12) . .
C19 C20 C21 C23 -79.9(14) . .
C19 C20 C15 C16 -2.4(17) . .
C21 C20 C15 C16 -176.5(10) . .
C17 C16 C15 C20 2.8(17) . .
C14 C16 C15 C20 177.4(11) . .
C11 C12 C13 C8 0.4(15) . .
O6 C12 C13 C8 -177.8(9) . .
C11 C12 C13 C14 176.3(10) . .
O6 C12 C13 C14 -1.9(16) . .
C33 C14 C13 C8 -36.5(17) . .
C16 C14 C13 C8 89.4(13) . .
C33 C14 C13 C12 148.1(11) . .
C16 C14 C13 C12 -86.0(13) . .
Co4 O3 C5 C6 175.5(7) 2_655 .
Co4 O3 C5 C4 -2.0(14) 2_655 .
C1 C6 C5 O3 -175.3(9) . .
C7 C6 C5 O3 1.7(15) . .
C1 C6 C5 C4 2.3(15) . .
C7 C6 C5 C4 179.2(9) . .
Co3 O10 C24 C25 18.9(13) . .
Co3 O10 C24 C23 -162.2(10) . .
O11 C25 C24 O10 -4.8(17) . .
C26 C25 C24 O10 177.2(10) . .
O11 C25 C24 C23 176.2(11) . .
C26 C25 C24 C23 -1.8(19) . .
C22 C23 C24 O10 -176.1(11) . .
C21 C23 C24 O10 2.2(19) . .
C22 C23 C24 C25 2.8(18) . .
C21 C23 C24 C25 -178.9(11) . .
C12 C13 C8 C9 -3.3(16) . .
C14 C13 C8 C9 -179.0(10) . .
C10 C9 C8 C13 2.4(16) . .
C7 C9 C8 C13 176.4(10) . .
C3 C2 C28 C41 -140.1(11) . .
C1 C2 C28 C41 38.4(14) . .
C3 C2 C28 C27 90.2(12) . .
C1 C2 C28 C27 -91.3(11) . .
C26 C27 C28 C2 -84.8(13) . .
C22 C27 C28 C2 91.1(13) . .
C26 C27 C28 C41 144.5(11) . .
C22 C27 C28 C41 -39.7(15) . .
Co4 O3N N1N O1N 179.1(15) . .
Co4 O3N N1N O2N 9.1(14) . .
Co4 O2N N1N O3N -9.2(14) . .
Co4 O2N N1N O1N -179.3(14) . .
C9 C7 C29 C30 169.3(12) . .
C6 C7 C29 C30 -63.4(15) . .
C5P N1P C1P C2P -2(2) . .
Co4 N1P C1P C2P -176.3(12) . .
N3P C15P C14P C13P 8.2(19) . .
C2 C3 C4 C5 -3.7(17) . .
O1 C3 C4 C5 -179.9(9) . .
O3 C5 C4 C3 178.0(10) . .
C6 C5 C4 C3 0.4(16) . .
C23 C21 C37 C38 51(2) . .
C20 C21 C37 C38 177.5(17) . .
C2 C28 C41 C42 163.9(19) . .
C27 C28 C41 C42 -68(2) . .
N1P C1P C2P C3P -7(2) . .
N4P C18P C17P C16P -1(2) . .
C13 C14 C33 C34 -76.8(18) . .
C16 C14 C33 C34 158.6(15) . .
C18P C17P C16P C17P 0.5(10) . 2_655
C7 C29 C30 C31 -173.6(14) . .
C1P C2P C3P C4P 10(2) . .
C15P C14P C13P C12P -9(2) . .
C14 C33 C34 C35 177.6(19) . .
C1P N1P C5P C4P 8(3) . .
Co4 N1P C5P C4P -178.3(16) . .
C15P N3P C11P C12P -2(3) . .
Co2 N3P C11P C12P 166.8(16) . .
C14P C13P C12P C11P 5(3) . .
N3P C11P C12P C13P 1(4) . .
N1P C5P C4P C3P -5(3) . .
C2P C3P C4P C5P -4(3) . .
C33 C34 C35 C36 74(3) . .
C6P C7P C8P C9P 7(4) . .
C29 C30 C31 C32 78(3) . .
C28 C41 C42 C43 -179(2) . .
C10P N2P C6P C7P -5(2) . .
Co3 N2P C6P C7P -177.7(13) . .
C8P C7P C6P N2P -3(2) . .
C21 C37 C38 C39 -179(2) . .
C7P C8P C9P C10P -4(5) . .
C37 C38 C39 C40 125(3) . .
C6P N2P C10P C9P 8(4) . .
Co3 N2P C10P C9P -179(2) . .
C8P C9P C10P N2P -4(5) . .
C41 C42 C43 C44 53(3) . .
C21P C19P C20P C21P 6(4) 2_655 .
C19P C20P C21P C19P 1(5) . 2_655
