# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2012108'
loop_
_audit_author_name
_audit_author_address
'Werner Kaminsky'
;University of Washington, Department of Chemistry
United States of America
;
_audit_update_record             
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;

_audit_creation_date             2019-10-18T14:08:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C132 H120 Co9 N9 P6 Se8, 2(C6 N4), 4(C7 H8)'
_chemical_formula_sum            'C172 H152 Co9 N17 P6 Se8'
_chemical_formula_weight         3804.97

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   19.2673(10)
_cell_length_b                   23.5145(10)
_cell_length_c                   35.6971(18)
_cell_angle_alpha                90
_cell_angle_beta                 92.434(3)
_cell_angle_gamma                90
_cell_volume                     16158.4(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8980
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      20.4
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7632

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    2.818
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_T_max  0.745
_shelx_estimated_absorpt_T_min   0.677
_shelx_estimated_absorpt_T_max   0.827

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'APEX-II CCD'
_diffrn_orient_matrix_ub_11      0.051015
_diffrn_orient_matrix_ub_12      0.00112
_diffrn_orient_matrix_ub_13      0.006427
_diffrn_orient_matrix_ub_21      -0.009211
_diffrn_orient_matrix_ub_22      0.020217
_diffrn_orient_matrix_ub_23      0.023941
_diffrn_orient_matrix_ub_31      -0.003467
_diffrn_orient_matrix_ub_32      -0.0374
_diffrn_orient_matrix_ub_33      0.013108
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.1691
_diffrn_reflns_av_unetI/netI     0.2435
_diffrn_reflns_number            56717
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.367
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.975
_reflns_Friedel_coverage         0
_reflns_number_total             28523
_reflns_number_gt                13042
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0006P)²+1160.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         28523
_refine_ls_number_parameters     1546
_refine_ls_number_restraints     1577
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.3094
_refine_ls_R_factor_gt           0.1854
_refine_ls_wR_factor_ref         0.3969
_refine_ls_wR_factor_gt          0.3438
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.381
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.217

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2754(9) 0.3451(8) 0.6704(6) 0.051(8) Uani 1 1 d G U . . .
C2 C 0.2591(10) 0.3772(8) 0.7016(5) 0.051(8) Uani 1 1 d G U . . .
H2 H 0.2952 0.3942 0.7167 0.061 Uiso 1 1 calc R U . . .
C3 C 0.1902(11) 0.3845(8) 0.7105(5) 0.069(10) Uani 1 1 d G U . . .
H3 H 0.1791 0.4064 0.7318 0.082 Uiso 1 1 calc R U . . .
C4 C 0.1375(8) 0.3596(10) 0.6883(7) 0.072(10) Uani 1 1 d G U . . .
H4 H 0.0904 0.3645 0.6944 0.086 Uiso 1 1 calc R U . . .
C5 C 0.1538(10) 0.3275(10) 0.6572(6) 0.088(12) Uani 1 1 d G U . . .
H5 H 0.1178 0.3105 0.642 0.106 Uiso 1 1 calc R U . . .
C6 C 0.2227(12) 0.3203(8) 0.6482(5) 0.078(11) Uani 1 1 d G U . . .
H6 H 0.2338 0.2983 0.627 0.094 Uiso 1 1 calc R U . . .
C7 C 0.3690(10) 0.2993(7) 0.6168(4) 0.053(8) Uani 1 1 d G U . . .
C8 C 0.3390(10) 0.2458(7) 0.6126(4) 0.041(7) Uani 1 1 d G U . . .
H8 H 0.3135 0.23 0.6322 0.049 Uiso 1 1 calc R U . . .
C9 C 0.3461(11) 0.2156(6) 0.5795(5) 0.067(9) Uani 1 1 d G U . . .
H9 H 0.3256 0.179 0.5766 0.08 Uiso 1 1 calc R U . . .
C10 C 0.3834(12) 0.2388(8) 0.5507(4) 0.073(10) Uani 1 1 d G U . . .
H10 H 0.3883 0.2181 0.5281 0.088 Uiso 1 1 calc R U . . .
C11 C 0.4134(11) 0.2922(8) 0.5550(5) 0.072(10) Uani 1 1 d G U . . .
H11 H 0.4389 0.3081 0.5353 0.087 Uiso 1 1 calc R U . . .
C12 C 0.4063(10) 0.3225(6) 0.5880(5) 0.062(9) Uani 1 1 d G U . . .
H12 H 0.4269 0.359 0.5909 0.074 Uiso 1 1 calc R U . . .
C13 C 0.3588(10) 0.4453(6) 0.6334(5) 0.045(7) Uani 1 1 d DG U . . .
C14 C 0.3123(11) 0.4350(6) 0.6033(6) 0.058(8) Uani 1 1 d DG U . . .
H14 H 0.2989 0.3971 0.5972 0.07 Uiso 1 1 calc R U . . .
C15 C 0.2855(10) 0.4801(9) 0.5821(5) 0.083(11) Uani 1 1 d DG U . . .
H15 H 0.2537 0.4731 0.5615 0.099 Uiso 1 1 calc R U . . .
C16 C 0.3051(12) 0.5355(7) 0.5910(6) 0.086(12) Uani 1 1 d DG U . . .
C17 C 0.3516(11) 0.5459(6) 0.6210(6) 0.073(10) Uani 1 1 d DG U . . .
H17 H 0.365 0.5837 0.6271 0.087 Uiso 1 1 calc R U . . .
C18 C 0.3784(9) 0.5007(7) 0.6422(5) 0.048(7) Uani 1 1 d DG U . . .
H18 H 0.4102 0.5078 0.6628 0.058 Uiso 1 1 calc R U . . .
C19 C 0.278(2) 0.5841(14) 0.5669(11) 0.125(17) Uani 1 1 d D U . . .
H19A H 0.3174 0.6059 0.5577 0.187 Uiso 1 1 d R U . . .
H19B H 0.2492 0.609 0.5817 0.187 Uiso 1 1 d R U . . .
H19C H 0.2504 0.569 0.5455 0.187 Uiso 1 1 d R U . . .
C20 C 0.6750(10) 0.4141(9) 0.7247(7) 0.060(9) Uani 1 1 d G U . . .
C21 C 0.6872(12) 0.4189(9) 0.6868(6) 0.068(10) Uani 1 1 d G U . . .
H21 H 0.652 0.4335 0.6699 0.082 Uiso 1 1 calc R U . . .
C22 C 0.7509(15) 0.4025(11) 0.6734(6) 0.108(14) Uani 1 1 d G U . . .
H22 H 0.7593 0.4058 0.6475 0.13 Uiso 1 1 calc R U . . .
C23 C 0.8024(11) 0.3812(12) 0.6981(9) 0.121(16) Uani 1 1 d G U . . .
H23 H 0.8459 0.37 0.6889 0.146 Uiso 1 1 calc R U . . .
C24 C 0.7901(12) 0.3764(11) 0.7360(8) 0.116(16) Uani 1 1 d G U . . .
H24 H 0.8253 0.3619 0.7529 0.139 Uiso 1 1 calc R U . . .
C25 C 0.7264(14) 0.3928(10) 0.7494(5) 0.084(11) Uani 1 1 d G U . . .
H25 H 0.7181 0.3895 0.7753 0.101 Uiso 1 1 calc R U . . .
C26 C 0.5970(13) 0.4660(8) 0.7826(6) 0.058(8) Uani 1 1 d G U . . .
C27 C 0.5411(10) 0.4716(9) 0.8057(7) 0.086(11) Uani 1 1 d G U . . .
H27 H 0.5005 0.4492 0.8013 0.103 Uiso 1 1 calc R U . . .
C28 C 0.5445(12) 0.5100(11) 0.8354(7) 0.099(13) Uani 1 1 d G U . . .
H28 H 0.5063 0.5139 0.8512 0.118 Uiso 1 1 calc R U . . .
C29 C 0.6039(15) 0.5428(10) 0.8419(6) 0.098(13) Uani 1 1 d G U . . .
H29 H 0.6062 0.569 0.8622 0.118 Uiso 1 1 calc R U . . .
C30 C 0.6597(12) 0.5372(10) 0.8188(7) 0.105(14) Uani 1 1 d G U . . .
H30 H 0.7003 0.5596 0.8233 0.126 Uiso 1 1 calc R U . . .
C31 C 0.6563(11) 0.4988(10) 0.7892(6) 0.075(10) Uani 1 1 d G U . . .
H31 H 0.6945 0.4949 0.7734 0.09 Uiso 1 1 calc R U . . .
C32 C 0.539(2) 0.5143(12) 0.7085(12) 0.054(12) Uani 0.52(2) 1 d G U P A 1
C33 C 0.4788(19) 0.5357(15) 0.7232(11) 0.041(10) Uani 0.52(2) 1 d G U P A 1
H33 H 0.4451 0.5104 0.7324 0.049 Uiso 0.52(2) 1 calc R U P A 1
C34 C 0.468(2) 0.5940(16) 0.7244(13) 0.090(17) Uani 0.52(2) 1 d G U P A 1
H34 H 0.4265 0.6087 0.7344 0.108 Uiso 0.52(2) 1 calc R U P A 1
C35 C 0.517(2) 0.6311(12) 0.7110(14) 0.059(13) Uani 0.52(2) 1 d G U P A 1
C36 C 0.578(2) 0.6097(16) 0.6963(13) 0.09(2) Uani 0.52(2) 1 d G U P A 1
H36 H 0.6114 0.635 0.6871 0.111 Uiso 0.52(2) 1 calc R U P A 1
C37 C 0.5886(19) 0.5513(18) 0.6951(12) 0.078(16) Uani 0.52(2) 1 d G U P A 1
H37 H 0.6299 0.5367 0.6851 0.093 Uiso 0.52(2) 1 calc R U P A 1
C38 C 0.503(4) 0.698(3) 0.712(2) 0.092(17) Uani 0.52(2) 1 d . U P A 1
H38A H 0.456 0.7059 0.7012 0.138 Uiso 0.52(2) 1 d R U P A 1
H38B H 0.5371 0.718 0.6974 0.138 Uiso 0.52(2) 1 d R U P A 1
H38C H 0.5059 0.7115 0.738 0.138 Uiso 0.52(2) 1 d R U P A 1
C39 C 0.3427(11) 0.3775(6) 0.8330(6) 0.056(8) Uani 1 1 d G U . . .
C40 C 0.3782(10) 0.4178(9) 0.8549(5) 0.066(9) Uani 1 1 d G U . . .
H40 H 0.41 0.4061 0.8744 0.079 Uiso 1 1 calc R U . . .
C41 C 0.3670(11) 0.4754(8) 0.8482(6) 0.081(11) Uani 1 1 d G U . . .
H41 H 0.3913 0.503 0.8632 0.097 Uiso 1 1 calc R U . . .
C42 C 0.3204(12) 0.4927(6) 0.8197(6) 0.079(11) Uani 1 1 d G U . . .
H42 H 0.3128 0.532 0.8151 0.095 Uiso 1 1 calc R U . . .
C43 C 0.2849(10) 0.4523(8) 0.7978(5) 0.058(8) Uani 1 1 d G U . . .
H43 H 0.2531 0.4641 0.7783 0.069 Uiso 1 1 calc R U . . .
C44 C 0.2961(10) 0.3947(7) 0.8045(5) 0.052(8) Uani 1 1 d G U . . .
H44 H 0.2718 0.3672 0.7895 0.063 Uiso 1 1 calc R U . . .
C45 C 0.2859(9) 0.2666(8) 0.8375(5) 0.055(8) Uani 1 1 d G U . . .
C46 C 0.2763(10) 0.2109(8) 0.8252(5) 0.055(8) Uani 1 1 d G U . . .
H46 H 0.3131 0.1913 0.814 0.066 Uiso 1 1 calc R U . . .
C47 C 0.2128(11) 0.1841(7) 0.8293(6) 0.076(10) Uani 1 1 d G U . . .
H47 H 0.2062 0.1461 0.8209 0.091 Uiso 1 1 calc R U . . .
C48 C 0.1589(9) 0.2129(10) 0.8457(6) 0.082(11) Uani 1 1 d G U . . .
H48 H 0.1155 0.1945 0.8485 0.099 Uiso 1 1 calc R U . . .
C49 C 0.1685(9) 0.2685(9) 0.8580(6) 0.082(11) Uani 1 1 d G U . . .
H49 H 0.1316 0.2882 0.8693 0.098 Uiso 1 1 calc R U . . .
C50 C 0.2320(11) 0.2954(7) 0.8539(6) 0.060(9) Uani 1 1 d G U . . .
H50 H 0.2385 0.3334 0.8624 0.073 Uiso 1 1 calc R U . . .
C51 C 0.3737(15) 0.2705(14) 0.9075(7) 0.109(10) Uani 1 1 d G U . . .
C52 C 0.3748(15) 0.2131(12) 0.9167(8) 0.118(10) Uani 1 1 d G U . . .
H52 H 0.3967 0.1866 0.9009 0.141 Uiso 1 1 calc R U . . .
C53 C 0.3438(17) 0.1944(10) 0.9489(9) 0.132(11) Uani 1 1 d G U . . .
H53 H 0.3445 0.1551 0.9552 0.158 Uiso 1 1 calc R U . . .
C54 C 0.3117(16) 0.2331(16) 0.9719(7) 0.124(11) Uani 1 1 d G U . . .
C55 C 0.3106(15) 0.2906(14) 0.9627(8) 0.137(11) Uani 1 1 d G U . . .
H55 H 0.2886 0.3171 0.9785 0.164 Uiso 1 1 calc R U . . .
C56 C 0.3416(16) 0.3093(10) 0.9305(9) 0.121(11) Uani 1 1 d G U . . .
H56 H 0.3408 0.3485 0.9242 0.146 Uiso 1 1 calc R U . . .
C57 C 0.283(3) 0.207(3) 1.0095(14) 0.167(18) Uani 1 1 d . U . . .
H57A H 0.3208 0.1868 1.023 0.25 Uiso 1 1 d R U . . .
H57B H 0.2449 0.1813 1.0034 0.25 Uiso 1 1 d R U . . .
H57C H 0.2669 0.2383 1.0253 0.25 Uiso 1 1 d R U . . .
C58 C 0.6234(14) 0.1298(7) 0.8425(7) 0.086(11) Uani 1 1 d G U . . .
C59 C 0.6764(11) 0.1020(9) 0.8246(7) 0.094(12) Uani 1 1 d G U . . .
H59 H 0.7146 0.123 0.8159 0.113 Uiso 1 1 calc DR U . . .
C60 C 0.6734(12) 0.0434(9) 0.8195(7) 0.096(13) Uani 1 1 d G U . . .
H60 H 0.7096 0.0244 0.8073 0.115 Uiso 1 1 calc R U . . .
C61 C 0.6174(14) 0.0127(7) 0.8323(7) 0.103(14) Uani 1 1 d G U . . .
H61 H 0.6154 -0.0273 0.8288 0.123 Uiso 1 1 calc R U . . .
C62 C 0.5645(11) 0.0406(10) 0.8502(7) 0.094(13) Uani 1 1 d G U . . .
H62 H 0.5262 0.0196 0.8589 0.112 Uiso 1 1 calc R U . . .
C63 C 0.5675(11) 0.0991(10) 0.8553(6) 0.075(10) Uani 1 1 d G U . . .
H63 H 0.5312 0.1182 0.8675 0.09 Uiso 1 1 calc R U . . .
C64 C 0.6993(14) 0.2428(14) 0.8423(10) 0.122(11) Uani 1 1 d G U . . .
C65 C 0.7425(19) 0.2308(9) 0.8131(7) 0.135(12) Uani 1 1 d G U . . .
H65 H 0.7278 0.2048 0.794 0.162 Uiso 1 1 calc DR U . . .
C66 C 0.8072(17) 0.2568(13) 0.8119(9) 0.148(13) Uani 1 1 d G U . . .
H66 H 0.8367 0.2485 0.7919 0.178 Uiso 1 1 calc R U . . .
C67 C 0.8287(15) 0.2948(15) 0.8398(11) 0.159(13) Uani 1 1 d G U . . .
H67 H 0.8729 0.3125 0.839 0.191 Uiso 1 1 calc R U . . .
C68 C 0.785(2) 0.3068(13) 0.8690(9) 0.166(14) Uani 1 1 d G U . . .
H68 H 0.8002 0.3328 0.8882 0.199 Uiso 1 1 calc R U . . .
C69 C 0.7208(19) 0.2808(15) 0.8703(9) 0.159(13) Uani 1 1 d G U . . .
H69 H 0.6913 0.2891 0.8902 0.191 Uiso 1 1 calc R U . . .
C70 C 0.5843(19) 0.2007(9) 0.9127(7) 0.048(10) Uani 0.56(2) 1 d G U P B 1
C71 C 0.6462(17) 0.1733(14) 0.9229(9) 0.074(15) Uani 0.56(2) 1 d G U P B 1
H71 H 0.6833 0.1731 0.9062 0.089 Uiso 0.56(2) 1 calc R U P B 1
C72 C 0.6536(17) 0.1460(14) 0.9573(10) 0.057(12) Uani 0.56(2) 1 d G U P B 1
H72 H 0.6959 0.1272 0.9643 0.068 Uiso 0.56(2) 1 calc R U P B 1
C73 C 0.599(2) 0.1462(12) 0.9817(8) 0.072(14) Uani 0.56(2) 1 d G U P B 1
C74 C 0.5373(18) 0.1737(15) 0.9716(10) 0.064(13) Uani 0.56(2) 1 d G U P B 1
H74 H 0.5002 0.1738 0.9882 0.077 Uiso 0.56(2) 1 calc R U P B 1
C75 C 0.5299(16) 0.2010(13) 0.9371(10) 0.068(14) Uani 0.56(2) 1 d G U P B 1
H75 H 0.4876 0.2197 0.9302 0.082 Uiso 0.56(2) 1 calc R U P B 1
C76 C 0.607(4) 0.116(2) 1.0193(18) 0.11(2) Uani 0.56(2) 1 d . U P B 1
H76A H 0.6117 0.145 1.0393 0.17 Uiso 0.56(2) 1 d R U P B 1
H76B H 0.6488 0.0925 1.0198 0.17 Uiso 0.56(2) 1 d R U P B 1
H76C H 0.5662 0.0929 1.0231 0.17 Uiso 0.56(2) 1 d R U P B 1
C77 C 0.3547(10) 0.0714(7) 0.7642(4) 0.048(7) Uani 1 1 d G U . . .
C78 C 0.4011(8) 0.0542(8) 0.7928(6) 0.050(8) Uani 1 1 d G U . . .
H78 H 0.4494 0.0609 0.7909 0.06 Uiso 1 1 calc R U . . .
C79 C 0.3768(10) 0.0272(8) 0.8243(5) 0.077(11) Uani 1 1 d G U . . .
H79 H 0.4085 0.0155 0.8439 0.093 Uiso 1 1 calc R U . . .
C80 C 0.3060(11) 0.0174(8) 0.8272(5) 0.067(9) Uani 1 1 d G U . . .
H80 H 0.2894 -0.0011 0.8487 0.081 Uiso 1 1 calc R U . . .
C81 C 0.2597(8) 0.0345(9) 0.7985(6) 0.073(10) Uani 1 1 d G U . . .
H81 H 0.2113 0.0278 0.8004 0.087 Uiso 1 1 calc R U . . .
C82 C 0.2840(10) 0.0615(8) 0.7670(5) 0.055(8) Uani 1 1 d G U . . .
H82 H 0.2523 0.0732 0.7474 0.066 Uiso 1 1 calc R U . . .
C83 C 0.3114(10) 0.1194(8) 0.6922(5) 0.053(8) Uani 1 1 d G U . . .
C84 C 0.2537(12) 0.1514(8) 0.7009(5) 0.075(10) Uani 1 1 d G U . . .
H84 H 0.2509 0.1676 0.7252 0.09 Uiso 1 1 calc R U . . .
C85 C 0.2001(10) 0.1597(9) 0.6742(7) 0.070(10) Uani 1 1 d G U . . .
H85 H 0.1606 0.1816 0.6802 0.084 Uiso 1 1 calc R U . . .
C86 C 0.2042(10) 0.1360(10) 0.6387(6) 0.079(11) Uani 1 1 d G U . . .
H86 H 0.1675 0.1417 0.6204 0.095 Uiso 1 1 calc R U . . .
C87 C 0.2619(12) 0.1040(9) 0.6299(5) 0.078(11) Uani 1 1 d G U . . .
H87 H 0.2647 0.0878 0.6056 0.094 Uiso 1 1 calc R U . . .
C88 C 0.3155(9) 0.0957(8) 0.6566(6) 0.054(8) Uani 1 1 d G U . . .
H88 H 0.355 0.0738 0.6506 0.065 Uiso 1 1 calc R U . . .
C89 C 0.4477(10) 0.0080(5) 0.7118(5) 0.041(7) Uani 1 1 d G U . . .
C90 C 0.5072(9) -0.0144(7) 0.7295(5) 0.055(8) Uani 1 1 d G U . . .
H90 H 0.5427 0.0103 0.7391 0.067 Uiso 1 1 calc R U . . .
C91 C 0.5148(8) -0.0730(7) 0.7332(5) 0.057(8) Uani 1 1 d G U . . .
H91 H 0.5554 -0.0883 0.7454 0.069 Uiso 1 1 calc R U . . .
C92 C 0.4628(10) -0.1091(5) 0.7192(5) 0.049(7) Uani 1 1 d G U . . .
C93 C 0.4033(9) -0.0867(6) 0.7015(5) 0.048(7) Uani 1 1 d G U . . .
H93 H 0.3678 -0.1114 0.6919 0.058 Uiso 1 1 calc R U . . .
C94 C 0.3957(8) -0.0282(7) 0.6977(5) 0.052(8) Uani 1 1 d G U . . .
H94 H 0.3551 -0.0129 0.6856 0.063 Uiso 1 1 calc R U . . .
C95 C 0.471(2) -0.1737(12) 0.7243(10) 0.088(11) Uani 1 1 d . U . . .
H95A H 0.497 -0.1814 0.748 0.132 Uiso 1 1 d R U . . .
H95B H 0.4968 -0.1893 0.7035 0.132 Uiso 1 1 d R U . . .
H95C H 0.4253 -0.1915 0.7247 0.132 Uiso 1 1 d R U . . .
C96 C 0.6328(10) 0.2307(7) 0.6288(5) 0.031(6) Uani 1 1 d G U . . .
C97 C 0.5966(11) 0.2079(7) 0.5979(6) 0.087(11) Uani 1 1 d G U . . .
H97 H 0.5735 0.1724 0.5998 0.104 Uiso 1 1 calc R U . . .
C98 C 0.5942(12) 0.2371(11) 0.5640(5) 0.100(13) Uani 1 1 d G U . . .
H98 H 0.5694 0.2215 0.5428 0.119 Uiso 1 1 calc R U . . .
C99 C 0.6279(13) 0.2891(10) 0.5610(5) 0.098(13) Uani 1 1 d G U . . .
H99 H 0.6263 0.309 0.5379 0.118 Uiso 1 1 calc R U . . .
C100 C 0.6641(12) 0.3118(7) 0.5920(7) 0.079(10) Uani 1 1 d G U . . .
H100 H 0.6872 0.3473 0.5901 0.094 Uiso 1 1 calc R U . . .
C101 C 0.6666(10) 0.2827(8) 0.6259(5) 0.076(10) Uani 1 1 d G U . . .
H101 H 0.6913 0.2982 0.6471 0.091 Uiso 1 1 calc R U . . .
C102 C 0.7199(10) 0.1827(9) 0.6888(6) 0.065(9) Uani 1 1 d G U . . .
C103 C 0.7751(14) 0.2076(9) 0.6711(6) 0.076(10) Uani 1 1 d G U . . .
H103 H 0.767 0.2285 0.6486 0.091 Uiso 1 1 calc R U . . .
C104 C 0.8424(11) 0.2019(11) 0.6864(7) 0.124(17) Uani 1 1 d G U . . .
H104 H 0.8801 0.2189 0.6743 0.148 Uiso 1 1 calc R U . . .
C105 C 0.8543(11) 0.1712(11) 0.7193(7) 0.087(12) Uani 1 1 d G U . . .
H105 H 0.9003 0.1673 0.7297 0.104 Uiso 1 1 calc R U . . .
C106 C 0.7991(14) 0.1464(10) 0.7370(6) 0.105(14) Uani 1 1 d G U . . .
H106 H 0.8073 0.1254 0.7595 0.126 Uiso 1 1 calc R U . . .
C107 C 0.7319(12) 0.1521(10) 0.7218(6) 0.080(11) Uani 1 1 d G U . . .
H107 H 0.6941 0.1351 0.7339 0.096 Uiso 1 1 calc R U . . .
C108 C 0.6480(11) 0.0821(8) 0.6489(6) 0.073(10) Uani 1 1 d G U . . .
C109 C 0.6443(12) 0.0275(10) 0.6637(6) 0.083(11) Uani 1 1 d G U . . .
H109 H 0.6143 0.0199 0.6835 0.1 Uiso 1 1 calc R U . . .
C110 C 0.6846(14) -0.0158(7) 0.6495(7) 0.122(16) Uani 1 1 d G U . . .
H110 H 0.6821 -0.0531 0.6596 0.146 Uiso 1 1 calc R U . . .
C111 C 0.7286(13) -0.0046(9) 0.6205(8) 0.093(12) Uani 1 1 d G U . . .
C112 C 0.7322(11) 0.0500(10) 0.6057(6) 0.089(12) Uani 1 1 d G U . . .
H112 H 0.7622 0.0577 0.5859 0.107 Uiso 1 1 calc R U . . .
C113 C 0.6919(12) 0.0933(8) 0.6199(6) 0.059(9) Uani 1 1 d G U . . .
H113 H 0.6944 0.1306 0.6098 0.071 Uiso 1 1 calc R U . . .
C114 C 0.778(3) -0.055(2) 0.6068(15) 0.15(2) Uani 1 1 d . U . . .
H11A H 0.7639 -0.0654 0.581 0.229 Uiso 1 1 d R U . . .
H11B H 0.7734 -0.0878 0.6232 0.229 Uiso 1 1 d R U . . .
H11C H 0.8261 -0.0417 0.6077 0.229 Uiso 1 1 d R U . . .
N7 N 0.5329(14) 0.4531(9) 0.6226(6) 0.061(7) Uani 1 1 d D U . . .
C115 C 0.5462(16) 0.4143(10) 0.5955(7) 0.056(8) Uani 1 1 d D U . . .
H115 H 0.5527 0.3755 0.602 0.068 Uiso 1 1 calc R U . . .
C116 C 0.5503(18) 0.4318(11) 0.5576(7) 0.076(10) Uani 1 1 d D U . . .
H116 H 0.5599 0.4046 0.5388 0.091 Uiso 1 1 calc R U . . .
C117 C 0.5407(18) 0.4863(11) 0.5482(7) 0.067(9) Uani 1 1 d D U . . .
C118 C 0.5324(19) 0.5257(12) 0.5767(8) 0.083(11) Uani 1 1 d D U . . .
H118 H 0.53 0.5651 0.571 0.099 Uiso 1 1 calc R U . . .
C119 C 0.5275(17) 0.5073(11) 0.6137(8) 0.067(9) Uani 1 1 d D U . . .
H119 H 0.5201 0.5345 0.6328 0.081 Uiso 1 1 calc R U . . .
C120 C 0.5357(17) 0.5049(14) 0.5076(7) 0.081(11) Uani 1 1 d D U . . .
H12A H 0.5474 0.5458 0.5057 0.098 Uiso 1 1 calc R U . . .
H12B H 0.569 0.483 0.4929 0.098 Uiso 1 1 calc R U . . .
N8 N 0.5308(17) 0.3501(11) 0.9191(8) 0.086(9) Uani 1 1 d D U . . .
C121 C 0.549(2) 0.4033(14) 0.9074(9) 0.108(14) Uani 1 1 d D U . . .
H121 H 0.5549 0.4107 0.8816 0.129 Uiso 1 1 calc R U . . .
C122 C 0.559(2) 0.4474(14) 0.9345(9) 0.106(14) Uani 1 1 d D U . . .
H122 H 0.5814 0.4815 0.9278 0.128 Uiso 1 1 calc R U . . .
C123 C 0.536(2) 0.4413(13) 0.9688(9) 0.100(13) Uani 1 1 d D U . . .
C124 C 0.516(3) 0.3871(16) 0.9797(10) 0.15(2) Uani 1 1 d D U . . .
H124 H 0.5073 0.3795 1.0052 0.185 Uiso 1 1 calc R U . . .
C125 C 0.508(2) 0.3439(14) 0.9529(10) 0.124(17) Uani 1 1 d D U . . .
H125 H 0.4864 0.3093 0.9593 0.149 Uiso 1 1 calc R U . . .
C126 C 0.536(2) 0.4897(16) 0.9971(11) 0.118(16) Uani 1 1 d D U . . .
H12C H 0.5578 0.4766 1.0213 0.141 Uiso 1 1 calc R U . . .
H12D H 0.5648 0.5216 0.988 0.141 Uiso 1 1 calc R U . . .
N9 N 0.4834(13) 0.0649(8) 0.6210(5) 0.048(6) Uani 1 1 d D U . . .
C127 C 0.4972(13) 0.0084(9) 0.6153(6) 0.043(7) Uani 1 1 d D U . . .
H127 H 0.5111 -0.0152 0.6359 0.052 Uiso 1 1 calc R U . . .
C128 C 0.4908(17) -0.0149(11) 0.5786(7) 0.062(9) Uani 1 1 d D U . . .
H128 H 0.5008 -0.054 0.5748 0.074 Uiso 1 1 calc R U . . .
C129 C 0.4711(17) 0.0173(10) 0.5494(7) 0.058(8) Uani 1 1 d D U . . .
C130 C 0.4563(17) 0.0747(11) 0.5560(7) 0.069(9) Uani 1 1 d D U . . .
H130 H 0.4447 0.0995 0.5357 0.082 Uiso 1 1 calc R U . . .
C131 C 0.4587(19) 0.0949(12) 0.5928(7) 0.080(11) Uani 1 1 d D U . . .
H131 H 0.4416 0.132 0.5974 0.096 Uiso 1 1 calc R U . . .
C132 C 0.4625(17) -0.0054(13) 0.5097(7) 0.071(10) Uani 1 1 d D U . . .
H13A H 0.4247 0.015 0.4957 0.085 Uiso 1 1 calc R U . . .
H13B H 0.4513 -0.0465 0.51 0.085 Uiso 1 1 calc R U . . .
C133 C 0.5077(5) 0.2539(11) 0.4481(7) 0.079(10) Uani 1 1 d D U . . .
C134 C 0.4962(6) 0.2498(13) 0.4091(8) 0.080(11) Uani 1 1 d D U . . .
C135 C 0.5051(8) 0.2039(16) 0.4679(10) 0.125(17) Uani 1 1 d D U . . .
C136 C 0.4823(9) 0.1957(16) 0.3907(10) 0.092(13) Uani 1 1 d D U . . .
C137 C 0.4991(10) 0.3012(19) 0.3897(12) 0.123(16) Uani 1 1 d D U . . .
C138 C 0.5203(9) 0.3042(19) 0.4643(12) 0.122(16) Uani 1 1 d D U . . .
N10 N 0.5031(13) 0.1607(15) 0.4861(10) 0.144(15) Uani 1 1 d D U . . .
N11 N 0.4712(13) 0.1534(16) 0.3753(11) 0.132(14) Uani 1 1 d D U . . .
N12 N 0.5022(14) 0.3463(18) 0.3745(13) 0.162(17) Uani 1 1 d D U . . .
N13 N 0.5319(12) 0.3452(14) 0.4818(10) 0.134(14) Uani 1 1 d D U . . .
C139 C 0.345(3) 0.352(2) 0.468(2) 0.289(11) Uani 1 1 d DG U . . .
H139 H 0.3626 0.3183 0.4787 0.347 Uiso 1 1 calc R U . . .
C140 C 0.334(3) 0.355(2) 0.4289(19) 0.289(11) Uani 1 1 d DG U . . .
H140 H 0.3434 0.3234 0.4137 0.347 Uiso 1 1 calc R U . . .
C141 C 0.309(3) 0.405(3) 0.4124(12) 0.289(11) Uani 1 1 d DG U . . .
H141 H 0.3009 0.4074 0.386 0.347 Uiso 1 1 calc R U . . .
C142 C 0.295(3) 0.452(2) 0.4347(14) 0.289(11) Uani 1 1 d DG U . . .
C143 C 0.306(3) 0.449(2) 0.4733(13) 0.289(11) Uani 1 1 d DG U . . .
H143 H 0.2968 0.4811 0.4885 0.347 Uiso 1 1 calc R U . . .
C144 C 0.332(3) 0.399(3) 0.4897(12) 0.289(11) Uani 1 1 d DG U . . .
H144 H 0.3393 0.3972 0.5162 0.347 Uiso 1 1 calc R U . . .
C145 C 0.263(4) 0.505(3) 0.418(2) 0.289(11) Uani 1 1 d D U . . .
H14A H 0.2718 0.5374 0.4345 0.434 Uiso 1 1 d R U . . .
H14B H 0.2129 0.4998 0.4135 0.434 Uiso 1 1 d R U . . .
H14C H 0.284 0.5128 0.3935 0.434 Uiso 1 1 d R U . . .
C146 C 0.2176(15) 0.4493(11) 0.9016(6) 0.106(14) Uani 1 1 d DG U . . .
H146 H 0.2257 0.4643 0.8775 0.127 Uiso 1 1 calc R U . . .
C147 C 0.2627(13) 0.4625(11) 0.9318(9) 0.108(15) Uani 1 1 d DG U . . .
H147 H 0.3016 0.4864 0.9283 0.129 Uiso 1 1 calc R U . . .
C148 C 0.2508(13) 0.4406(12) 0.9671(7) 0.127(17) Uani 1 1 d DG U . . .
H148 H 0.2816 0.4496 0.9878 0.152 Uiso 1 1 calc R U . . .
C149 C 0.1939(15) 0.4056(12) 0.9723(6) 0.099(13) Uani 1 1 d DG U . . .
C150 C 0.1488(12) 0.3924(10) 0.9421(7) 0.100(13) Uani 1 1 d DG U . . .
H150 H 0.1099 0.3685 0.9456 0.12 Uiso 1 1 calc R U . . .
C151 C 0.1607(14) 0.4143(11) 0.9067(6) 0.084(11) Uani 1 1 d DG U . . .
H151 H 0.1299 0.4053 0.8861 0.1 Uiso 1 1 calc R U . . .
C152 C 0.177(2) 0.384(2) 1.0107(9) 0.141(19) Uani 1 1 d D U . . .
H15A H 0.2197 0.3687 1.0232 0.212 Uiso 1 1 d R U . . .
H15B H 0.1423 0.3539 1.0083 0.212 Uiso 1 1 d R U . . .
H15C H 0.1596 0.4153 1.0256 0.212 Uiso 1 1 d R U . . .
C153 C 0.311(2) 0.118(3) 0.4785(13) 0.289(11) Uani 1 1 d DG U . . .
H153 H 0.3498 0.102 0.4671 0.347 Uiso 1 1 calc R U . . .
C154 C 0.291(2) 0.174(3) 0.4697(12) 0.289(11) Uani 1 1 d DG U . . .
H154 H 0.3158 0.1951 0.4522 0.347 Uiso 1 1 calc R U . . .
C155 C 0.234(3) 0.1976(19) 0.4864(13) 0.289(11) Uani 1 1 d DG U . . .
H155 H 0.2198 0.2354 0.4803 0.347 Uiso 1 1 calc R U . . .
C156 C 0.197(2) 0.166(2) 0.5119(10) 0.289(11) Uani 1 1 d DG U . . .
C157 C 0.217(3) 0.111(2) 0.5207(12) 0.289(11) Uani 1 1 d DG U . . .
H157 H 0.1919 0.0894 0.5382 0.347 Uiso 1 1 calc R U . . .
C158 C 0.274(3) 0.0870(19) 0.5041(16) 0.289(11) Uani 1 1 d DG U . . .
H158 H 0.2879 0.0492 0.5101 0.347 Uiso 1 1 calc R U . . .
C159 C 0.135(3) 0.192(3) 0.5301(15) 0.289(11) Uani 1 1 d D U . . .
H15D H 0.094 0.1681 0.5245 0.434 Uiso 1 1 d R U . . .
H15E H 0.1266 0.2302 0.5203 0.434 Uiso 1 1 d R U . . .
H15F H 0.144 0.1935 0.5573 0.434 Uiso 1 1 d R U . . .
C161 C 0.922(3) 0.427(3) 0.5699(17) 0.289(11) Uani 1 1 d DG U . . .
H161 H 0.8835 0.402 0.57 0.347 Uiso 1 1 calc R U . . .
C162 C 0.984(4) 0.4113(19) 0.5883(15) 0.289(11) Uani 1 1 d DG U . . .
H162 H 0.988 0.3759 0.601 0.347 Uiso 1 1 calc R U . . .
C163 C 1.041(3) 0.448(2) 0.5881(14) 0.289(11) Uani 1 1 d DG U . . .
H163 H 1.0838 0.437 0.6007 0.347 Uiso 1 1 calc R U . . .
C164 C 1.036(2) 0.499(2) 0.5695(15) 0.289(11) Uani 1 1 d DG U . . .
C165 C 0.974(3) 0.515(2) 0.5511(14) 0.289(11) Uani 1 1 d DG U . . .
H165 H 0.9704 0.5504 0.5384 0.347 Uiso 1 1 calc R U . . .
C166 C 0.917(2) 0.479(3) 0.5513(15) 0.289(11) Uani 1 1 d DG U . . .
H166 H 0.8746 0.4893 0.5387 0.347 Uiso 1 1 calc R U . . .
C167 C 1.098(3) 0.538(3) 0.568(2) 0.289(11) Uani 1 1 d D U . . .
H16A H 1.1155 0.5461 0.5941 0.434 Uiso 1 1 d R U . . .
H16B H 1.085 0.5736 0.5558 0.434 Uiso 1 1 d R U . . .
H16C H 1.1348 0.5192 0.5547 0.434 Uiso 1 1 d R U . . .
C168 C 0.9798(12) 0.1696(10) 0.6072(5) 0.274(18) Uani 1 1 d D U . . .
C169 C 0.9164(15) 0.1809(13) 0.5877(7) 0.275(18) Uani 1 1 d D U . . .
C170 C 1.0137(17) 0.1207(14) 0.5973(8) 0.27(2) Uani 1 1 d D U . . .
C171 C 0.888(2) 0.1430(19) 0.5587(10) 0.27(2) Uani 1 1 d D U . . .
C172 C 0.883(2) 0.2307(19) 0.5981(12) 0.280(19) Uani 1 1 d D U . . .
C173 C 1.005(2) 0.2051(19) 0.6336(10) 0.28(2) Uani 1 1 d D U . . .
N14 N 1.046(2) 0.0785(15) 0.5902(11) 0.194(16) Uani 1 1 d D U . . .
N15 N 0.874(3) 0.109(2) 0.5368(12) 0.31(3) Uani 1 1 d D U . . .
N16 N 0.852(3) 0.2727(19) 0.6056(15) 0.28(3) Uani 1 1 d D U . . .
N17 N 1.032(3) 0.233(2) 0.6571(10) 0.31(3) Uani 1 1 d D U . . .
N1 N 0.4015(12) 0.4050(8) 0.6552(6) 0.042(6) Uani 1 1 d . U . . .
N2 N 0.5383(16) 0.4558(11) 0.7126(8) 0.075(8) Uani 1 1 d . U . . .
N3 N 0.4091(13) 0.2882(10) 0.8737(6) 0.057(7) Uani 1 1 d . U . . .
N4 N 0.5796(13) 0.2252(9) 0.8809(7) 0.060(7) Uani 1 1 d . U . . .
N5 N 0.4507(11) 0.0681(7) 0.7055(6) 0.036(5) Uani 1 1 d . U . . .
N6 N 0.6035(12) 0.1236(9) 0.6646(6) 0.052(6) Uani 1 1 d . U . . .
P1 P 0.3661(5) 0.3371(3) 0.6613(2) 0.050(2) Uani 1 1 d . . . . .
P2 P 0.5885(5) 0.4204(3) 0.7418(3) 0.071(3) Uani 1 1 d . . . . .
P3 P 0.3657(5) 0.3017(3) 0.8344(2) 0.056(2) Uani 1 1 d . . . . .
P4 P 0.6126(5) 0.2087(3) 0.8417(3) 0.062(3) Uani 1 1 d . . . . .
P5 P 0.3874(5) 0.1098(3) 0.7248(2) 0.052(2) Uani 1 1 d . . . . .
P6 P 0.6300(6) 0.1898(3) 0.6731(2) 0.067(3) Uani 1 1 d . . . . .
Co1 Co 0.4295(2) 0.29338(14) 0.70491(10) 0.0432(10) Uani 1 1 d . . . . .
Co2 Co 0.5416(2) 0.33623(15) 0.74948(12) 0.0540(12) Uani 1 1 d . . . . .
Co3 Co 0.4289(2) 0.28447(14) 0.78658(10) 0.0426(10) Uani 1 1 d . . . . .
Co4 Co 0.5536(2) 0.23518(14) 0.79140(11) 0.0516(12) Uani 1 1 d . . . . .
Co5 Co 0.4416(2) 0.18980(13) 0.74003(10) 0.0439(10) Uani 1 1 d . . . . .
Co6 Co 0.5591(2) 0.23121(13) 0.71062(11) 0.0469(11) Uani 1 1 d . . . . .
Co7 Co 0.4908(2) 0.42290(14) 0.67029(12) 0.0533(12) Uani 1 1 d . . . . .
Co8 Co 0.5077(3) 0.28635(17) 0.88009(12) 0.0635(13) Uani 1 1 d . . . . .
Co9 Co 0.5088(3) 0.10104(14) 0.67119(11) 0.0566(13) Uani 1 1 d . . . . .
Se1 Se 0.53726(17) 0.32451(10) 0.68459(9) 0.0510(9) Uani 1 1 d . . . . .
Se2 Se 0.42738(17) 0.36559(11) 0.74865(8) 0.0467(8) Uani 1 1 d . . . . .
Se3 Se 0.53148(16) 0.32469(11) 0.81529(9) 0.0486(8) Uani 1 1 d . . . . .
Se4 Se 0.44880(16) 0.19278(11) 0.80616(7) 0.0418(7) Uani 1 1 d . . . . .
Se5 Se 0.55537(17) 0.15682(10) 0.75156(8) 0.0459(8) Uani 1 1 d . . . . .
Se6 Se 0.45825(18) 0.20276(10) 0.67628(8) 0.0495(9) Uani 1 1 d . . . . .
Se7 Se 0.34778(16) 0.25195(11) 0.74169(7) 0.0427(7) Uani 1 1 d . . . . .
Se8 Se 0.63672(18) 0.27440(11) 0.75275(10) 0.0566(9) Uani 1 1 d . . . . .
C232 C 0.511(2) 0.5169(14) 0.7256(13) 0.054(12) Uani 0.48(2) 1 d DG U P A 2
C233 C 0.452(2) 0.5234(13) 0.7462(12) 0.041(10) Uani 0.48(2) 1 d DG U P A 2
H233 H 0.4297 0.491 0.7558 0.049 Uiso 0.48(2) 1 calc R U P A 2
C234 C 0.4261(19) 0.5775(15) 0.7526(12) 0.090(17) Uani 0.48(2) 1 d DG U P A 2
H234 H 0.3857 0.582 0.7667 0.108 Uiso 0.48(2) 1 calc R U P A 2
C235 C 0.459(2) 0.6250(12) 0.7385(13) 0.059(13) Uani 0.48(2) 1 d DG U P A 2
C236 C 0.518(2) 0.6184(15) 0.7180(14) 0.09(2) Uani 0.48(2) 1 d DG U P A 2
H236 H 0.5409 0.6509 0.7084 0.111 Uiso 0.48(2) 1 calc R U P A 2
C237 C 0.544(2) 0.5643(18) 0.7115(14) 0.078(16) Uani 0.48(2) 1 d DG U P A 2
H237 H 0.5849 0.5599 0.6975 0.093 Uiso 0.48(2) 1 calc R U P A 2
C238 C 0.434(4) 0.6836(17) 0.748(2) 0.092(17) Uani 0.48(2) 1 d D U P A 2
H23A H 0.4546 0.6957 0.7721 0.138 Uiso 0.48(2) 1 d R U P A 2
H23B H 0.3828 0.6828 0.7494 0.138 Uiso 0.48(2) 1 d R U P A 2
H23C H 0.4464 0.7103 0.7283 0.138 Uiso 0.48(2) 1 d R U P A 2
C270 C 0.612(3) 0.203(2) 0.9210(10) 0.048(10) Uani 0.44(2) 1 d G U P B 2
C271 C 0.680(2) 0.185(2) 0.9294(12) 0.074(15) Uani 0.44(2) 1 d G U P B 2
H71B H 0.7124 0.1822 0.9101 0.089 Uiso 0.44(2) 1 calc R U P B 2
C272 C 0.700(2) 0.170(2) 0.9659(13) 0.057(12) Uani 0.44(2) 1 d G U P B 2
H72B H 0.7461 0.1574 0.9717 0.068 Uiso 0.44(2) 1 calc R U P B 2
C273 C 0.653(3) 0.173(2) 0.9941(10) 0.072(14) Uani 0.44(2) 1 d G U P B 2
C274 C 0.585(2) 0.192(2) 0.9857(12) 0.064(13) Uani 0.44(2) 1 d G U P B 2
H74B H 0.5526 0.1939 1.005 0.077 Uiso 0.44(2) 1 calc R U P B 2
C275 C 0.565(2) 0.206(2) 0.9491(14) 0.068(14) Uani 0.44(2) 1 d G U P B 2
H75B H 0.5189 0.2188 0.9434 0.082 Uiso 0.44(2) 1 calc R U P B 2
C276 C 0.672(5) 0.159(4) 1.033(3) 0.11(2) Uani 0.44(2) 1 d . U P B 2
H76D H 0.681 0.1177 1.0342 0.17 Uiso 0.44(2) 1 d R U P B 2
H76E H 0.6349 0.168 1.0503 0.17 Uiso 0.44(2) 1 d R U P B 2
H76F H 0.7142 0.1794 1.0408 0.17 Uiso 0.44(2) 1 d R U P B 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C2 1.39 . ?
C1 C6 1.39 . ?
C1 P1 1.802(18) . ?
C2 C3 1.39 . ?
C2 H2 0.95 . ?
C3 C4 1.39 . ?
C3 H3 0.95 . ?
C4 C5 1.39 . ?
C4 H4 0.95 . ?
C5 C6 1.39 . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C7 P1 1.822(14) . ?
C8 C9 1.39 . ?
C8 H8 0.95 . ?
C9 C10 1.39 . ?
C9 H9 0.95 . ?
C10 C11 1.39 . ?
C10 H10 0.95 . ?
C11 C12 1.39 . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C13 N1 1.46(2) . ?
C14 C15 1.39 . ?
C14 H14 0.95 . ?
C15 C16 1.39 . ?
C15 H15 0.95 . ?
C16 C17 1.39 . ?
C16 C19 1.51(3) . ?
C17 C18 1.39 . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C21 1.39 . ?
C20 C25 1.39 . ?
C20 P2 1.80(2) . ?
C21 C22 1.39 . ?
C21 H21 0.95 . ?
C22 C23 1.39 . ?
C22 H22 0.95 . ?
C23 C24 1.39 . ?
C23 H23 0.95 . ?
C24 C25 1.39 . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C27 1.39 . ?
C26 C31 1.39 . ?
C26 P2 1.811(19) . ?
C27 C28 1.39 . ?
C27 H27 0.95 . ?
C28 C29 1.39 . ?
C28 H28 0.95 . ?
C29 C30 1.39 . ?
C29 H29 0.95 . ?
C30 C31 1.39 . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 N2 1.38(4) . ?
C32 C33 1.39 . ?
C32 C37 1.39 . ?
C33 C34 1.39 . ?
C33 H33 0.95 . ?
C34 C35 1.39 . ?
C34 H34 0.95 . ?
C35 C36 1.39 . ?
C35 C38 1.60(7) . ?
C36 C37 1.39 . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C40 1.39 . ?
C39 C44 1.39 . ?
C39 P3 1.836(16) . ?
C40 C41 1.39 . ?
C40 H40 0.95 . ?
C41 C42 1.39 . ?
C41 H41 0.95 . ?
C42 C43 1.39 . ?
C42 H42 0.95 . ?
C43 C44 1.39 . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.39 . ?
C45 C50 1.39 . ?
C45 P3 1.753(17) . ?
C46 C47 1.39 . ?
C46 H46 0.95 . ?
C47 C48 1.39 . ?
C47 H47 0.95 . ?
C48 C49 1.39 . ?
C48 H48 0.95 . ?
C49 C50 1.39 . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.39 . ?
C51 C56 1.39 . ?
C51 N3 1.47(3) . ?
C52 C53 1.39 . ?
C52 H52 0.95 . ?
C53 C54 1.39 . ?
C53 H53 0.95 . ?
C54 C55 1.39 . ?
C54 C57 1.59(5) . ?
C55 C56 1.39 . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
C58 C59 1.39 . ?
C58 C63 1.39 . ?
C58 P4 1.866(18) . ?
C59 C60 1.39 . ?
C59 H59 0.95 . ?
C60 C61 1.39 . ?
C60 H60 0.95 . ?
C61 C62 1.39 . ?
C61 H61 0.95 . ?
C62 C63 1.39 . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C65 1.39 . ?
C64 C69 1.39 . ?
C64 P4 1.85(3) . ?
C65 C66 1.39 . ?
C65 H65 0.95 . ?
C66 C67 1.39 . ?
C66 H66 0.95 . ?
C67 C68 1.39 . ?
C67 H67 0.95 . ?
C68 C69 1.39 . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 N4 1.27(3) . ?
C70 C71 1.39 . ?
C70 C75 1.39 . ?
C71 C72 1.39 . ?
C71 H71 0.95 . ?
C72 C73 1.39 . ?
C72 H72 0.95 . ?
C73 C74 1.39 . ?
C73 C76 1.52(7) . ?
C74 C75 1.39 . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
C77 C78 1.39 . ?
C77 C82 1.39 . ?
C77 P5 1.806(15) . ?
C78 C79 1.39 . ?
C78 H78 0.95 . ?
C79 C80 1.39 . ?
C79 H79 0.95 . ?
C80 C81 1.39 . ?
C80 H80 0.95 . ?
C81 C82 1.39 . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.39 . ?
C83 C88 1.39 . ?
C83 P5 1.845(18) . ?
C84 C85 1.39 . ?
C84 H84 0.95 . ?
C85 C86 1.39 . ?
C85 H85 0.95 . ?
C86 C87 1.39 . ?
C86 H86 0.95 . ?
C87 C88 1.39 . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.39 . ?
C89 C94 1.39 . ?
C89 N5 1.43(2) . ?
C90 C91 1.39 . ?
C90 H90 0.95 . ?
C91 C92 1.39 . ?
C91 H91 0.95 . ?
C92 C93 1.39 . ?
C92 C95 1.54(3) . ?
C93 C94 1.39 . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
C96 C97 1.39 . ?
C96 C101 1.39 . ?
C96 P6 1.851(17) . ?
C97 C98 1.39 . ?
C97 H97 0.95 . ?
C98 C99 1.39 . ?
C98 H98 0.95 . ?
C99 C100 1.39 . ?
C99 H99 0.95 . ?
C100 C101 1.39 . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.39 . ?
C102 C107 1.39 . ?
C102 P6 1.81(2) . ?
C103 C104 1.39 . ?
C103 H103 0.95 . ?
C104 C105 1.39 . ?
C104 H104 0.95 . ?
C105 C106 1.39 . ?
C105 H105 0.95 . ?
C106 C107 1.39 . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.39 . ?
C108 C113 1.39 . ?
C108 N6 1.43(2) . ?
C109 C110 1.39 . ?
C109 H109 0.95 . ?
C110 C111 1.39 . ?
C110 H110 0.95 . ?
C111 C112 1.39 . ?
C111 C114 1.60(4) . ?
C112 C113 1.39 . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
N7 C119 1.32(2) . ?
N7 C115 1.36(2) . ?
N7 Co7 2.04(2) . ?
C115 C116 1.42(3) . ?
C115 H115 0.95 . ?
C116 C117 1.34(3) . ?
C116 H116 0.95 . ?
C117 C118 1.39(3) . ?
C117 C120 1.51(3) . ?
C118 C119 1.40(3) . ?
C118 H118 0.95 . ?
C119 H119 0.95 . ?
C120 C120 1.47(6) 3_666 ?
C120 H12A 0.99 . ?
C120 H12B 0.99 . ?
N8 C125 1.30(3) . ?
N8 C121 1.37(2) . ?
N8 Co8 2.08(2) . ?
C121 C122 1.42(3) . ?
C121 H121 0.95 . ?
C122 C123 1.32(3) . ?
C122 H122 0.95 . ?
C123 C124 1.39(3) . ?
C123 C126 1.52(3) . ?
C124 C125 1.40(3) . ?
C124 H124 0.95 . ?
C125 H125 0.95 . ?
C126 C126 1.51(8) 3_667 ?
C126 H12C 0.99 . ?
C126 H12D 0.99 . ?
N9 C131 1.30(3) . ?
N9 C127 1.37(2) . ?
N9 Co9 2.023(19) . ?
C127 C128 1.42(3) . ?
C127 H127 0.95 . ?
C128 C129 1.33(3) . ?
C128 H128 0.95 . ?
C129 C130 1.40(3) . ?
C129 C132 1.52(3) . ?
C130 C131 1.39(3) . ?
C130 H130 0.95 . ?
C131 H131 0.95 . ?
C132 C132 1.65(6) 3_656 ?
C132 H13A 0.99 . ?
C132 H13B 0.99 . ?
C133 C138 1.33(4) . ?
C133 C135 1.37(4) . ?
C133 C134 1.41(3) . ?
C134 C137 1.39(5) . ?
C134 C136 1.45(4) . ?
C135 N10 1.21(4) . ?
C136 N11 1.15(4) . ?
C137 N12 1.19(5) . ?
C138 N13 1.17(4) . ?
C139 C140 1.39 . ?
C139 C144 1.39 . ?
C139 H139 0.95 . ?
C140 C141 1.39 . ?
C140 H140 0.95 . ?
C141 C142 1.39 . ?
C141 H141 0.95 . ?
C142 C143 1.39 . ?
C142 C145 1.51(3) . ?
C143 C144 1.39 . ?
C143 H143 0.95 . ?
C144 H144 0.95 . ?
C145 H14A 0.98 . ?
C145 H14B 0.98 . ?
C145 H14C 0.98 . ?
C146 C147 1.39 . ?
C146 C151 1.39 . ?
C146 H146 0.95 . ?
C147 C148 1.39 . ?
C147 H147 0.95 . ?
C148 C149 1.39 . ?
C148 H148 0.95 . ?
C149 C150 1.39 . ?
C149 C152 1.51(3) . ?
C150 C151 1.39 . ?
C150 H150 0.95 . ?
C151 H151 0.95 . ?
C152 H15A 0.98 . ?
C152 H15B 0.98 . ?
C152 H15C 0.98 . ?
C153 C154 1.39 . ?
C153 C158 1.39 . ?
C153 H153 0.95 . ?
C154 C155 1.39 . ?
C154 H154 0.95 . ?
C155 C156 1.39 . ?
C155 H155 0.95 . ?
C156 C157 1.39 . ?
C156 C159 1.51(3) . ?
C157 C158 1.39 . ?
C157 H157 0.95 . ?
C158 H158 0.95 . ?
C159 H15D 0.98 . ?
C159 H15E 0.98 . ?
C159 H15F 0.98 . ?
C161 C162 1.39 . ?
C161 C166 1.39 . ?
C161 H161 0.95 . ?
C162 C163 1.39 . ?
C162 H162 0.95 . ?
C163 C164 1.39 . ?
C163 H163 0.95 . ?
C164 C165 1.39 . ?
C164 C167 1.50(3) . ?
C165 C166 1.39 . ?
C165 H165 0.95 . ?
C166 H166 0.95 . ?
C167 H16A 0.98 . ?
C167 H16B 0.98 . ?
C167 H16C 0.98 . ?
C168 C173 1.33(4) . ?
C168 C170 1.37(4) . ?
C168 C169 1.41(3) . ?
C169 C172 1.39(5) . ?
C169 C171 1.45(4) . ?
C170 N14 1.21(4) . ?
C171 N15 1.15(4) . ?
C172 N16 1.19(5) . ?
C173 N17 1.16(4) . ?
N1 P1 1.75(2) . ?
N1 Co7 1.83(2) . ?
N2 C232 1.60(4) . ?
N2 P2 1.62(3) . ?
N2 Co7 1.90(3) . ?
N3 P3 1.64(2) . ?
N3 Co8 1.90(3) . ?
N4 P4 1.61(2) . ?
N4 C270 1.63(4) . ?
N4 Co8 2.00(2) . ?
N5 P5 1.73(2) . ?
N5 Co9 1.863(19) . ?
N6 P6 1.66(2) . ?
N6 Co9 1.92(3) . ?
P1 Co1 2.194(9) . ?
P2 Co2 2.197(8) . ?
P3 Co3 2.176(9) . ?
P4 Co4 2.177(11) . ?
P5 Co5 2.209(8) . ?
P6 Co6 2.184(9) . ?
Co1 Se7 2.308(5) . ?
Co1 Se2 2.308(4) . ?
Co1 Se1 2.345(5) . ?
Co1 Se6 2.437(4) . ?
Co1 Co5 2.745(5) . ?
Co1 Co2 2.814(6) . ?
Co1 Co6 2.893(6) . ?
Co1 Co3 2.924(5) . ?
Co2 Se2 2.305(6) . ?
Co2 Se1 2.331(5) . ?
Co2 Se8 2.339(5) . ?
Co2 Se3 2.381(5) . ?
Co2 Co4 2.813(5) . ?
Co2 Co6 2.859(5) . ?
Co2 Co3 2.862(6) . ?
Co3 Se4 2.293(4) . ?
Co3 Se7 2.320(5) . ?
Co3 Se2 2.339(5) . ?
Co3 Se3 2.383(5) . ?
Co3 Co4 2.666(6) . ?
Co3 Co5 2.795(4) . ?
Co4 Se3 2.317(4) . ?
Co4 Se5 2.329(4) . ?
Co4 Se4 2.332(5) . ?
Co4 Se8 2.347(5) . ?
Co4 Co6 2.892(5) . ?
Co4 Co5 2.970(6) . ?
Co5 Se7 2.327(5) . ?
Co5 Se6 2.332(4) . ?
Co5 Se5 2.345(5) . ?
Co5 Se4 2.360(4) . ?
Co5 Co6 2.715(5) . ?
Co6 Se5 2.282(4) . ?
Co6 Se8 2.311(5) . ?
Co6 Se6 2.349(6) . ?
Co6 Se1 2.413(4) . ?
Co7 Se1 2.525(4) . ?
Co8 Se3 2.542(5) . ?
Co9 Se6 2.592(4) . ?
C232 C233 1.39 . ?
C232 C237 1.39 . ?
C233 C234 1.39 . ?
C233 H233 0.95 . ?
C234 C235 1.39 . ?
C234 H234 0.95 . ?
C235 C236 1.39 . ?
C235 C238 1.51(3) . ?
C236 C237 1.39 . ?
C236 H236 0.95 . ?
C237 H237 0.95 . ?
C238 H23A 0.98 . ?
C238 H23B 0.98 . ?
C238 H23C 0.98 . ?
C270 C271 1.39 . ?
C270 C275 1.39 . ?
C271 C272 1.39 . ?
C271 H71B 0.95 . ?
C272 C273 1.39 . ?
C272 H72B 0.95 . ?
C273 C274 1.39 . ?
C273 C276 1.47(9) . ?
C274 C275 1.39 . ?
C274 H74B 0.95 . ?
C275 H75B 0.95 . ?
C276 H76D 0.98 . ?
C276 H76E 0.98 . ?
C276 H76F 0.98 . ?

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
C2 C1 C6 120 . . ?
C2 C1 P1 117.1(13) . . ?
C6 C1 P1 122.9(13) . . ?
C3 C2 C1 120 . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C2 C3 C4 120 . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C5 C4 C3 120 . . ?
C5 C4 H4 120 . . ?
C3 C4 H4 120 . . ?
C4 C5 C6 120 . . ?
C4 C5 H5 120 . . ?
C6 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C8 C7 C12 120 . . ?
C8 C7 P1 120.6(10) . . ?
C12 C7 P1 119.2(10) . . ?
C9 C8 C7 120 . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
C8 C9 C10 120 . . ?
C8 C9 H9 120 . . ?
C10 C9 H9 120 . . ?
C11 C10 C9 120 . . ?
C11 C10 H10 120 . . ?
C9 C10 H10 120 . . ?
C12 C11 C10 120 . . ?
C12 C11 H11 120 . . ?
C10 C11 H11 120 . . ?
C11 C12 C7 120 . . ?
C11 C12 H12 120 . . ?
C7 C12 H12 120 . . ?
C14 C13 C18 120 . . ?
C14 C13 N1 129.0(15) . . ?
C18 C13 N1 110.2(15) . . ?
C15 C14 C13 120 . . ?
C15 C14 H14 120 . . ?
C13 C14 H14 120 . . ?
C14 C15 C16 120 . . ?
C14 C15 H15 120 . . ?
C16 C15 H15 120 . . ?
C17 C16 C15 120 . . ?
C17 C16 C19 120.2(18) . . ?
C15 C16 C19 119.8(18) . . ?
C16 C17 C18 120 . . ?
C16 C17 H17 120 . . ?
C18 C17 H17 120 . . ?
C17 C18 C13 120 . . ?
C17 C18 H18 120 . . ?
C13 C18 H18 120 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.4 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 120 . . ?
C21 C20 P2 121.4(15) . . ?
C25 C20 P2 117.3(15) . . ?
C22 C21 C20 120 . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 120 . . ?
C21 C22 H22 120 . . ?
C23 C22 H22 120 . . ?
C22 C23 C24 120 . . ?
C22 C23 H23 120 . . ?
C24 C23 H23 120 . . ?
C25 C24 C23 120 . . ?
C25 C24 H24 120 . . ?
C23 C24 H24 120 . . ?
C24 C25 C20 120 . . ?
C24 C25 H25 120 . . ?
C20 C25 H25 120 . . ?
C27 C26 C31 120 . . ?
C27 C26 P2 119.2(15) . . ?
C31 C26 P2 120.5(15) . . ?
C26 C27 C28 120 . . ?
C26 C27 H27 120 . . ?
C28 C27 H27 120 . . ?
C27 C28 C29 120 . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C30 C29 C28 120 . . ?
C30 C29 H29 120 . . ?
C28 C29 H29 120 . . ?
C31 C30 C29 120 . . ?
C31 C30 H30 120 . . ?
C29 C30 H30 120 . . ?
C30 C31 C26 120 . . ?
C30 C31 H31 120 . . ?
C26 C31 H31 120 . . ?
N2 C32 C33 108(3) . . ?
N2 C32 C37 132(3) . . ?
C33 C32 C37 120 . . ?
C34 C33 C32 120 . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C35 C34 C33 120 . . ?
C35 C34 H34 120 . . ?
C33 C34 H34 120 . . ?
C34 C35 C36 120 . . ?
C34 C35 C38 119(4) . . ?
C36 C35 C38 121(4) . . ?
C37 C36 C35 120 . . ?
C37 C36 H36 120 . . ?
C35 C36 H36 120 . . ?
C36 C37 C32 120 . . ?
C36 C37 H37 120 . . ?
C32 C37 H37 120 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.4 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C44 120 . . ?
C40 C39 P3 122.4(12) . . ?
C44 C39 P3 116.7(12) . . ?
C39 C40 C41 120 . . ?
C39 C40 H40 120 . . ?
C41 C40 H40 120 . . ?
C40 C41 C42 120 . . ?
C40 C41 H41 120 . . ?
C42 C41 H41 120 . . ?
C43 C42 C41 120 . . ?
C43 C42 H42 120 . . ?
C41 C42 H42 120 . . ?
C42 C43 C44 120 . . ?
C42 C43 H43 120 . . ?
C44 C43 H43 120 . . ?
C43 C44 C39 120 . . ?
C43 C44 H44 120 . . ?
C39 C44 H44 120 . . ?
C46 C45 C50 120 . . ?
C46 C45 P3 121.9(12) . . ?
C50 C45 P3 118.1(12) . . ?
C47 C46 C45 120 . . ?
C47 C46 H46 120 . . ?
C45 C46 H46 120 . . ?
C46 C47 C48 120 . . ?
C46 C47 H47 120 . . ?
C48 C47 H47 120 . . ?
C49 C48 C47 120 . . ?
C49 C48 H48 120 . . ?
C47 C48 H48 120 . . ?
C48 C49 C50 120 . . ?
C48 C49 H49 120 . . ?
C50 C49 H49 120 . . ?
C49 C50 C45 120 . . ?
C49 C50 H50 120 . . ?
C45 C50 H50 120 . . ?
C52 C51 C56 120 . . ?
C52 C51 N3 118(2) . . ?
C56 C51 N3 122(2) . . ?
C51 C52 C53 120 . . ?
C51 C52 H52 120 . . ?
C53 C52 H52 120 . . ?
C54 C53 C52 120 . . ?
C54 C53 H53 120 . . ?
C52 C53 H53 120 . . ?
C53 C54 C55 120 . . ?
C53 C54 C57 115(3) . . ?
C55 C54 C57 125(3) . . ?
C54 C55 C56 120 . . ?
C54 C55 H55 120 . . ?
C56 C55 H55 120 . . ?
C55 C56 C51 120 . . ?
C55 C56 H56 120 . . ?
C51 C56 H56 120 . . ?
C54 C57 H57A 109.4 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 C63 120 . . ?
C59 C58 P4 123.0(15) . . ?
C63 C58 P4 115.7(15) . . ?
C60 C59 C58 120 . . ?
C60 C59 H59 120 . . ?
C58 C59 H59 120 . . ?
C59 C60 C61 120 . . ?
C59 C60 H60 120 . . ?
C61 C60 H60 120 . . ?
C62 C61 C60 120 . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C61 C62 C63 120 . . ?
C61 C62 H62 120 . . ?
C63 C62 H62 120 . . ?
C62 C63 C58 120 . . ?
C62 C63 H63 120 . . ?
C58 C63 H63 120 . . ?
C65 C64 C69 120 . . ?
C65 C64 P4 118(2) . . ?
C69 C64 P4 122(2) . . ?
C64 C65 C66 120 . . ?
C64 C65 H65 120 . . ?
C66 C65 H65 120 . . ?
C67 C66 C65 120 . . ?
C67 C66 H66 120 . . ?
C65 C66 H66 120 . . ?
C66 C67 C68 120 . . ?
C66 C67 H67 120 . . ?
C68 C67 H67 120 . . ?
C69 C68 C67 120 . . ?
C69 C68 H68 120 . . ?
C67 C68 H68 120 . . ?
C68 C69 C64 120 . . ?
C68 C69 H69 120 . . ?
C64 C69 H69 120 . . ?
N4 C70 C71 118(3) . . ?
N4 C70 C75 122(3) . . ?
C71 C70 C75 120 . . ?
C70 C71 C72 120 . . ?
C70 C71 H71 120 . . ?
C72 C71 H71 120 . . ?
C73 C72 C71 120 . . ?
C73 C72 H72 120 . . ?
C71 C72 H72 120 . . ?
C74 C73 C72 120 . . ?
C74 C73 C76 120(4) . . ?
C72 C73 C76 120(4) . . ?
C75 C74 C73 120 . . ?
C75 C74 H74 120 . . ?
C73 C74 H74 120 . . ?
C74 C75 C70 120 . . ?
C74 C75 H75 120 . . ?
C70 C75 H75 120 . . ?
C73 C76 H76A 109.4 . . ?
C73 C76 H76B 109.6 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.4 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C78 C77 C82 120 . . ?
C78 C77 P5 118.9(12) . . ?
C82 C77 P5 121.0(12) . . ?
C77 C78 C79 120 . . ?
C77 C78 H78 120 . . ?
C79 C78 H78 120 . . ?
C78 C79 C80 120 . . ?
C78 C79 H79 120 . . ?
C80 C79 H79 120 . . ?
C81 C80 C79 120 . . ?
C81 C80 H80 120 . . ?
C79 C80 H80 120 . . ?
C80 C81 C82 120 . . ?
C80 C81 H81 120 . . ?
C82 C81 H81 120 . . ?
C81 C82 C77 120 . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 120 . . ?
C84 C83 P5 123.0(13) . . ?
C88 C83 P5 116.9(13) . . ?
C83 C84 C85 120 . . ?
C83 C84 H84 120 . . ?
C85 C84 H84 120 . . ?
C86 C85 C84 120 . . ?
C86 C85 H85 120 . . ?
C84 C85 H85 120 . . ?
C87 C86 C85 120 . . ?
C87 C86 H86 120 . . ?
C85 C86 H86 120 . . ?
C88 C87 C86 120 . . ?
C88 C87 H87 120 . . ?
C86 C87 H87 120 . . ?
C87 C88 C83 120 . . ?
C87 C88 H88 120 . . ?
C83 C88 H88 120 . . ?
C90 C89 C94 120 . . ?
C90 C89 N5 114.0(15) . . ?
C94 C89 N5 125.5(15) . . ?
C89 C90 C91 120 . . ?
C89 C90 H90 120 . . ?
C91 C90 H90 120 . . ?
C92 C91 C90 120 . . ?
C92 C91 H91 120 . . ?
C90 C91 H91 120 . . ?
C91 C92 C93 120 . . ?
C91 C92 C95 119(2) . . ?
C93 C92 C95 121(2) . . ?
C94 C93 C92 120 . . ?
C94 C93 H93 120 . . ?
C92 C93 H93 120 . . ?
C93 C94 C89 120 . . ?
C93 C94 H94 120 . . ?
C89 C94 H94 120 . . ?
C92 C95 H95A 109.5 . . ?
C92 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C97 C96 C101 120 . . ?
C97 C96 P6 116.5(13) . . ?
C101 C96 P6 123.4(13) . . ?
C96 C97 C98 120 . . ?
C96 C97 H97 120 . . ?
C98 C97 H97 120 . . ?
C99 C98 C97 120 . . ?
C99 C98 H98 120 . . ?
C97 C98 H98 120 . . ?
C100 C99 C98 120 . . ?
C100 C99 H99 120 . . ?
C98 C99 H99 120 . . ?
C101 C100 C99 120 . . ?
C101 C100 H100 120 . . ?
C99 C100 H100 120 . . ?
C100 C101 C96 120 . . ?
C100 C101 H101 120 . . ?
C96 C101 H101 120 . . ?
C103 C102 C107 120 . . ?
C103 C102 P6 124.2(15) . . ?
C107 C102 P6 115.7(15) . . ?
C104 C103 C102 120 . . ?
C104 C103 H103 120 . . ?
C102 C103 H103 120 . . ?
C103 C104 C105 120 . . ?
C103 C104 H104 120 . . ?
C105 C104 H104 120 . . ?
C106 C105 C104 120 . . ?
C106 C105 H105 120 . . ?
C104 C105 H105 120 . . ?
C105 C106 C107 120 . . ?
C105 C106 H106 120 . . ?
C107 C106 H106 120 . . ?
C106 C107 C102 120 . . ?
C106 C107 H107 120 . . ?
C102 C107 H107 120 . . ?
C109 C108 C113 120 . . ?
C109 C108 N6 116.2(18) . . ?
C113 C108 N6 123.8(18) . . ?
C108 C109 C110 120 . . ?
C108 C109 H109 120 . . ?
C110 C109 H109 120 . . ?
C109 C110 C111 120 . . ?
C109 C110 H110 120 . . ?
C111 C110 H110 120 . . ?
C112 C111 C110 120 . . ?
C112 C111 C114 122(3) . . ?
C110 C111 C114 118(3) . . ?
C113 C112 C111 120 . . ?
C113 C112 H112 120 . . ?
C111 C112 H112 120 . . ?
C112 C113 C108 120 . . ?
C112 C113 H113 120 . . ?
C108 C113 H113 120 . . ?
C111 C114 H11A 109.5 . . ?
C111 C114 H11B 109.5 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C119 N7 C115 119(2) . . ?
C119 N7 Co7 120.5(18) . . ?
C115 N7 Co7 116.8(16) . . ?
N7 C115 C116 120(2) . . ?
N7 C115 H115 119.9 . . ?
C116 C115 H115 119.9 . . ?
C117 C116 C115 120(2) . . ?
C117 C116 H116 119.8 . . ?
C115 C116 H116 119.8 . . ?
C116 C117 C118 118(2) . . ?
C116 C117 C120 121(2) . . ?
C118 C117 C120 120(2) . . ?
C117 C118 C119 120(2) . . ?
C117 C118 H118 120 . . ?
C119 C118 H118 120 . . ?
N7 C119 C118 121(2) . . ?
N7 C119 H119 119.3 . . ?
C118 C119 H119 119.3 . . ?
C120 C120 C117 109(3) 3_666 . ?
C120 C120 H12A 109.9 3_666 . ?
C117 C120 H12A 109.9 . . ?
C120 C120 H12B 109.9 3_666 . ?
C117 C120 H12B 109.9 . . ?
H12A C120 H12B 108.3 . . ?
C125 N8 C121 119(2) . . ?
C125 N8 Co8 118(2) . . ?
C121 N8 Co8 120(2) . . ?
N8 C121 C122 119(2) . . ?
N8 C121 H121 120.5 . . ?
C122 C121 H121 120.5 . . ?
C123 C122 C121 121(3) . . ?
C123 C122 H122 119.6 . . ?
C121 C122 H122 119.6 . . ?
C122 C123 C124 118(2) . . ?
C122 C123 C126 123(3) . . ?
C124 C123 C126 120(3) . . ?
C123 C124 C125 120(3) . . ?
C123 C124 H124 120.1 . . ?
C125 C124 H124 120.1 . . ?
N8 C125 C124 121(3) . . ?
N8 C125 H125 119.3 . . ?
C124 C125 H125 119.3 . . ?
C126 C126 C123 111(4) 3_667 . ?
C126 C126 H12C 109.5 3_667 . ?
C123 C126 H12C 109.5 . . ?
C126 C126 H12D 109.5 3_667 . ?
C123 C126 H12D 109.5 . . ?
H12C C126 H12D 108.1 . . ?
C131 N9 C127 118(2) . . ?
C131 N9 Co9 121.6(17) . . ?
C127 N9 Co9 119.8(16) . . ?
N9 C127 C128 120(2) . . ?
N9 C127 H127 119.9 . . ?
C128 C127 H127 119.9 . . ?
C129 C128 C127 121(2) . . ?
C129 C128 H128 119.6 . . ?
C127 C128 H128 119.6 . . ?
C128 C129 C130 118(2) . . ?
C128 C129 C132 123(2) . . ?
C130 C129 C132 119(2) . . ?
C131 C130 C129 119(2) . . ?
C131 C130 H130 120.4 . . ?
C129 C130 H130 120.4 . . ?
N9 C131 C130 123(2) . . ?
N9 C131 H131 118.7 . . ?
C130 C131 H131 118.7 . . ?
C129 C132 C132 106(3) . 3_656 ?
C129 C132 H13A 110.5 . . ?
C132 C132 H13A 110.5 3_656 . ?
C129 C132 H13B 110.5 . . ?
C132 C132 H13B 110.5 3_656 . ?
H13A C132 H13B 108.7 . . ?
C138 C133 C135 123(3) . . ?
C138 C133 C134 121(3) . . ?
C135 C133 C134 116(2) . . ?
C137 C134 C133 115(3) . . ?
C137 C134 C136 123(3) . . ?
C133 C134 C136 122(2) . . ?
N10 C135 C133 178(4) . . ?
N11 C136 C134 178(4) . . ?
N12 C137 C134 177(5) . . ?
N13 C138 C133 173(5) . . ?
C140 C139 C144 120 . . ?
C140 C139 H139 120 . . ?
C144 C139 H139 120 . . ?
C139 C140 C141 120 . . ?
C139 C140 H140 120 . . ?
C141 C140 H140 120 . . ?
C142 C141 C140 120 . . ?
C142 C141 H141 120 . . ?
C140 C141 H141 120 . . ?
C141 C142 C143 120 . . ?
C141 C142 C145 121(2) . . ?
C143 C142 C145 119(2) . . ?
C144 C143 C142 120 . . ?
C144 C143 H143 120 . . ?
C142 C143 H143 120 . . ?
C143 C144 C139 120 . . ?
C143 C144 H144 120 . . ?
C139 C144 H144 120 . . ?
C142 C145 H14A 109.5 . . ?
C142 C145 H14B 109.6 . . ?
H14A C145 H14B 109.5 . . ?
C142 C145 H14C 109.4 . . ?
H14A C145 H14C 109.5 . . ?
H14B C145 H14C 109.5 . . ?
C147 C146 C151 120 . . ?
C147 C146 H146 120 . . ?
C151 C146 H146 120 . . ?
C148 C147 C146 120 . . ?
C148 C147 H147 120 . . ?
C146 C147 H147 120 . . ?
C147 C148 C149 120 . . ?
C147 C148 H148 120 . . ?
C149 C148 H148 120 . . ?
C148 C149 C150 120 . . ?
C148 C149 C152 121(2) . . ?
C150 C149 C152 119(2) . . ?
C151 C150 C149 120 . . ?
C151 C150 H150 120 . . ?
C149 C150 H150 120 . . ?
C150 C151 C146 120 . . ?
C150 C151 H151 120 . . ?
C146 C151 H151 120 . . ?
C149 C152 H15A 109.5 . . ?
C149 C152 H15B 109.5 . . ?
H15A C152 H15B 109.5 . . ?
C149 C152 H15C 109.4 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C154 C153 C158 120 . . ?
C154 C153 H153 120 . . ?
C158 C153 H153 120 . . ?
C155 C154 C153 120 . . ?
C155 C154 H154 120 . . ?
C153 C154 H154 120 . . ?
C154 C155 C156 120 . . ?
C154 C155 H155 120 . . ?
C156 C155 H155 120 . . ?
C155 C156 C157 120 . . ?
C155 C156 C159 120(2) . . ?
C157 C156 C159 120(2) . . ?
C156 C157 C158 120 . . ?
C156 C157 H157 120 . . ?
C158 C157 H157 120 . . ?
C157 C158 C153 120 . . ?
C157 C158 H158 120 . . ?
C153 C158 H158 120 . . ?
C156 C159 H15D 109.3 . . ?
C156 C159 H15E 109.6 . . ?
H15D C159 H15E 109.5 . . ?
C156 C159 H15F 109.5 . . ?
H15D C159 H15F 109.5 . . ?
H15E C159 H15F 109.5 . . ?
C162 C161 C166 120 . . ?
C162 C161 H161 120 . . ?
C166 C161 H161 120 . . ?
C163 C162 C161 120 . . ?
C163 C162 H162 120 . . ?
C161 C162 H162 120 . . ?
C164 C163 C162 120 . . ?
C164 C163 H163 120 . . ?
C162 C163 H163 120 . . ?
C163 C164 C165 120 . . ?
C163 C164 C167 120(2) . . ?
C165 C164 C167 120(2) . . ?
C164 C165 C166 120 . . ?
C164 C165 H165 120 . . ?
C166 C165 H165 120 . . ?
C165 C166 C161 120 . . ?
C165 C166 H166 120 . . ?
C161 C166 H166 120 . . ?
C164 C167 H16A 109.4 . . ?
C164 C167 H16B 109.6 . . ?
H16A C167 H16B 109.5 . . ?
C164 C167 H16C 109.4 . . ?
H16A C167 H16C 109.5 . . ?
H16B C167 H16C 109.5 . . ?
C173 C168 C170 123(3) . . ?
C173 C168 C169 121(3) . . ?
C170 C168 C169 116(2) . . ?
C172 C169 C168 115(3) . . ?
C172 C169 C171 123(3) . . ?
C168 C169 C171 122(2) . . ?
N14 C170 C168 176(4) . . ?
N15 C171 C169 171(5) . . ?
N16 C172 C169 176(6) . . ?
N17 C173 C168 173(7) . . ?
C13 N1 P1 116.4(17) . . ?
C13 N1 Co7 120.7(15) . . ?
P1 N1 Co7 122.5(11) . . ?
C32 N2 P2 125(3) . . ?
C232 N2 P2 118(2) . . ?
C32 N2 Co7 109(2) . . ?
C232 N2 Co7 116(2) . . ?
P2 N2 Co7 123.9(15) . . ?
C51 N3 P3 121(2) . . ?
C51 N3 Co8 113.1(19) . . ?
P3 N3 Co8 125.3(14) . . ?
C70 N4 P4 131(2) . . ?
P4 N4 C270 122(2) . . ?
C70 N4 Co8 111(2) . . ?
P4 N4 Co8 117.4(15) . . ?
C270 N4 Co8 119(2) . . ?
C89 N5 P5 117.6(14) . . ?
C89 N5 Co9 122.8(15) . . ?
P5 N5 Co9 118.7(10) . . ?
C108 N6 P6 121.8(19) . . ?
C108 N6 Co9 116.5(17) . . ?
P6 N6 Co9 121.4(11) . . ?
N1 P1 C1 108.2(10) . . ?
N1 P1 C7 108.0(10) . . ?
C1 P1 C7 106.0(10) . . ?
N1 P1 Co1 107.9(8) . . ?
C1 P1 Co1 115.8(7) . . ?
C7 P1 Co1 110.7(7) . . ?
N2 P2 C20 111.0(14) . . ?
N2 P2 C26 104.1(13) . . ?
C20 P2 C26 105.6(12) . . ?
N2 P2 Co2 107.7(11) . . ?
C20 P2 Co2 111.0(8) . . ?
C26 P2 Co2 117.2(9) . . ?
N3 P3 C45 105.7(12) . . ?
N3 P3 C39 108.9(11) . . ?
C45 P3 C39 104.4(10) . . ?
N3 P3 Co3 110.7(10) . . ?
C45 P3 Co3 119.0(8) . . ?
C39 P3 Co3 107.6(7) . . ?
N4 P4 C64 106.0(15) . . ?
N4 P4 C58 106.0(12) . . ?
C64 P4 C58 109.3(14) . . ?
N4 P4 Co4 115.9(11) . . ?
C64 P4 Co4 108.9(10) . . ?
C58 P4 Co4 110.5(9) . . ?
N5 P5 C77 107.5(10) . . ?
N5 P5 C83 111.8(10) . . ?
C77 P5 C83 105.0(10) . . ?
N5 P5 Co5 104.3(7) . . ?
C77 P5 Co5 114.3(7) . . ?
C83 P5 Co5 113.9(7) . . ?
N6 P6 C102 104.7(11) . . ?
N6 P6 C96 110.6(11) . . ?
C102 P6 C96 104.6(11) . . ?
N6 P6 Co6 109.5(9) . . ?
C102 P6 Co6 117.8(9) . . ?
C96 P6 Co6 109.5(7) . . ?
P1 Co1 Se7 103.3(3) . . ?
P1 Co1 Se2 96.3(2) . . ?
Se7 Co1 Se2 83.89(15) . . ?
P1 Co1 Se1 96.2(3) . . ?
Se7 Co1 Se1 160.4(2) . . ?
Se2 Co1 Se1 91.19(17) . . ?
P1 Co1 Se6 104.0(2) . . ?
Se7 Co1 Se6 92.42(15) . . ?
Se2 Co1 Se6 159.7(2) . . ?
Se1 Co1 Se6 85.60(15) . . ?
P1 Co1 Co5 140.7(3) . . ?
Se7 Co1 Co5 54.01(13) . . ?
Se2 Co1 Co5 110.32(17) . . ?
Se1 Co1 Co5 111.04(18) . . ?
Se6 Co1 Co5 53.08(11) . . ?
P1 Co1 Co2 128.6(3) . . ?
Se7 Co1 Co2 110.80(18) . . ?
Se2 Co1 Co2 52.36(14) . . ?
Se1 Co1 Co2 52.76(14) . . ?
Se6 Co1 Co2 111.55(19) . . ?
Co5 Co1 Co2 90.64(16) . . ?
P1 Co1 Co6 137.7(3) . . ?
Se7 Co1 Co6 110.73(17) . . ?
Se2 Co1 Co6 111.35(19) . . ?
Se1 Co1 Co6 53.62(13) . . ?
Se6 Co1 Co6 51.45(13) . . ?
Co5 Co1 Co6 57.52(13) . . ?
Co2 Co1 Co6 60.12(14) . . ?
P1 Co1 Co3 135.7(3) . . ?
Se7 Co1 Co3 51.01(13) . . ?
Se2 Co1 Co3 51.48(12) . . ?
Se1 Co1 Co3 111.81(19) . . ?
Se6 Co1 Co3 111.47(16) . . ?
Co5 Co1 Co3 58.98(12) . . ?
Co2 Co1 Co3 59.81(14) . . ?
Co6 Co1 Co3 86.17(15) . . ?
P2 Co2 Se2 97.3(3) . . ?
P2 Co2 Se1 88.9(3) . . ?
Se2 Co2 Se1 91.65(19) . . ?
P2 Co2 Se8 103.9(3) . . ?
Se2 Co2 Se8 158.8(2) . . ?
Se1 Co2 Se8 88.35(18) . . ?
P2 Co2 Se3 106.0(3) . . ?
Se2 Co2 Se3 85.91(18) . . ?
Se1 Co2 Se3 165.04(19) . . ?
Se8 Co2 Se3 88.66(18) . . ?
P2 Co2 Co4 143.3(3) . . ?
Se2 Co2 Co4 108.46(19) . . ?
Se1 Co2 Co4 115.32(17) . . ?
Se8 Co2 Co4 53.24(13) . . ?
Se3 Co2 Co4 52.19(12) . . ?
P2 Co2 Co1 124.2(3) . . ?
Se2 Co2 Co1 52.46(13) . . ?
Se1 Co2 Co1 53.24(14) . . ?
Se8 Co2 Co1 112.75(17) . . ?
Se3 Co2 Co1 115.09(19) . . ?
Co4 Co2 Co1 92.41(16) . . ?
P2 Co2 Co6 131.3(3) . . ?
Se2 Co2 Co6 112.60(19) . . ?
Se1 Co2 Co6 54.25(12) . . ?
Se8 Co2 Co6 51.62(14) . . ?
Se3 Co2 Co6 113.35(16) . . ?
Co4 Co2 Co6 61.30(13) . . ?
Co1 Co2 Co6 61.30(14) . . ?
P2 Co2 Co3 139.9(3) . . ?
Se2 Co2 Co3 52.48(14) . . ?
Se1 Co2 Co3 114.44(19) . . ?
Se8 Co2 Co3 108.70(17) . . ?
Se3 Co2 Co3 53.09(13) . . ?
Co4 Co2 Co3 56.03(14) . . ?
Co1 Co2 Co3 61.99(14) . . ?
Co6 Co2 Co3 87.95(14) . . ?
P3 Co3 Se4 91.6(3) . . ?
P3 Co3 Se7 102.7(3) . . ?
Se4 Co3 Se7 89.97(16) . . ?
P3 Co3 Se2 107.9(3) . . ?
Se4 Co3 Se2 160.22(19) . . ?
Se7 Co3 Se2 82.95(16) . . ?
P3 Co3 Se3 94.1(3) . . ?
Se4 Co3 Se3 96.74(18) . . ?
Se7 Co3 Se3 161.8(2) . . ?
Se2 Co3 Se3 85.14(16) . . ?
P3 Co3 Co4 124.3(3) . . ?
Se4 Co3 Co4 55.48(14) . . ?
Se7 Co3 Co4 118.70(17) . . ?
Se2 Co3 Co4 112.42(19) . . ?
Se3 Co3 Co4 54.29(13) . . ?
P3 Co3 Co5 132.9(3) . . ?
Se4 Co3 Co5 54.18(12) . . ?
Se7 Co3 Co5 53.15(13) . . ?
Se2 Co3 Co5 107.74(16) . . ?
Se3 Co3 Co5 118.70(18) . . ?
Co4 Co3 Co5 65.85(14) . . ?
P3 Co3 Co2 138.1(3) . . ?
Se4 Co3 Co2 114.88(18) . . ?
Se7 Co3 Co2 108.82(17) . . ?
Se2 Co3 Co2 51.43(14) . . ?
Se3 Co3 Co2 53.05(14) . . ?
Co4 Co3 Co2 61.04(14) . . ?
Co5 Co3 Co2 88.65(15) . . ?
P3 Co3 Co1 142.6(3) . . ?
Se4 Co3 Co1 111.32(15) . . ?
Se7 Co3 Co1 50.64(12) . . ?
Se2 Co3 Co1 50.56(12) . . ?
Se3 Co3 Co1 111.25(18) . . ?
Co4 Co3 Co1 93.10(16) . . ?
Co5 Co3 Co1 57.32(12) . . ?
Co2 Co3 Co1 58.20(14) . . ?
P4 Co4 Se3 93.1(3) . . ?
P4 Co4 Se5 104.9(3) . . ?
Se3 Co4 Se5 162.0(2) . . ?
P4 Co4 Se4 96.8(3) . . ?
Se3 Co4 Se4 97.52(17) . . ?
Se5 Co4 Se4 80.50(15) . . ?
P4 Co4 Se8 104.6(3) . . ?
Se3 Co4 Se8 90.01(16) . . ?
Se5 Co4 Se8 85.62(16) . . ?
Se4 Co4 Se8 156.9(2) . . ?
P4 Co4 Co3 128.0(3) . . ?
Se3 Co4 Co3 56.61(14) . . ?
Se5 Co4 Co3 109.9(2) . . ?
Se4 Co4 Co3 54.14(14) . . ?
Se8 Co4 Co3 115.26(19) . . ?
P4 Co4 Co2 135.2(3) . . ?
Se3 Co4 Co2 54.28(13) . . ?
Se5 Co4 Co2 110.27(18) . . ?
Se4 Co4 Co2 115.4(2) . . ?
Se8 Co4 Co2 52.98(14) . . ?
Co3 Co4 Co2 62.93(15) . . ?
P4 Co4 Co6 140.7(3) . . ?
Se3 Co4 Co6 114.30(17) . . ?
Se5 Co4 Co6 50.45(12) . . ?
Se4 Co4 Co6 106.26(19) . . ?
Se8 Co4 Co6 51.08(14) . . ?
Co3 Co4 Co6 91.18(18) . . ?
Co2 Co4 Co6 60.15(13) . . ?
P4 Co4 Co5 138.4(3) . . ?
Se3 Co4 Co5 114.4(2) . . ?
Se5 Co4 Co5 50.78(14) . . ?
Se4 Co4 Co5 51.14(13) . . ?
Se8 Co4 Co5 105.92(18) . . ?
Co3 Co4 Co5 59.16(14) . . ?
Co2 Co4 Co5 86.21(16) . . ?
Co6 Co4 Co5 55.17(13) . . ?
P5 Co5 Se7 100.5(3) . . ?
P5 Co5 Se6 87.4(2) . . ?
Se7 Co5 Se6 94.70(18) . . ?
P5 Co5 Se5 101.0(3) . . ?
Se7 Co5 Se5 157.59(18) . . ?
Se6 Co5 Se5 92.76(17) . . ?
P5 Co5 Se4 106.2(2) . . ?
Se7 Co5 Se4 88.20(15) . . ?
Se6 Co5 Se4 165.4(2) . . ?
Se5 Co5 Se4 79.60(16) . . ?
P5 Co5 Co6 127.1(3) . . ?
Se7 Co5 Co6 116.47(16) . . ?
Se6 Co5 Co6 54.85(14) . . ?
Se5 Co5 Co6 53.00(13) . . ?
Se4 Co5 Co6 111.20(19) . . ?
P5 Co5 Co1 127.8(3) . . ?
Se7 Co5 Co1 53.37(13) . . ?
Se6 Co5 Co1 56.68(12) . . ?
Se5 Co5 Co1 115.74(17) . . ?
Se4 Co5 Co1 115.52(15) . . ?
Co6 Co5 Co1 63.98(13) . . ?
P5 Co5 Co3 140.6(3) . . ?
Se7 Co5 Co3 52.92(13) . . ?
Se6 Co5 Co3 119.69(16) . . ?
Se5 Co5 Co3 105.29(17) . . ?
Se4 Co5 Co3 52.01(12) . . ?
Co6 Co5 Co3 92.27(15) . . ?
Co1 Co5 Co3 63.70(12) . . ?
P5 Co5 Co4 141.4(3) . . ?
Se7 Co5 Co4 107.66(15) . . ?
Se6 Co5 Co4 115.42(18) . . ?
Se5 Co5 Co4 50.31(12) . . ?
Se4 Co5 Co4 50.31(13) . . ?
Co6 Co5 Co4 60.95(14) . . ?
Co1 Co5 Co4 90.50(14) . . ?
Co3 Co5 Co4 54.99(13) . . ?
P6 Co6 Se5 95.1(2) . . ?
P6 Co6 Se8 101.0(3) . . ?
Se5 Co6 Se8 87.54(18) . . ?
P6 Co6 Se6 94.5(3) . . ?
Se5 Co6 Se6 93.92(17) . . ?
Se8 Co6 Se6 164.3(2) . . ?
P6 Co6 Se1 105.8(3) . . ?
Se5 Co6 Se1 159.1(2) . . ?
Se8 Co6 Se1 87.04(16) . . ?
Se6 Co6 Se1 86.07(17) . . ?
P6 Co6 Co5 129.1(3) . . ?
Se5 Co6 Co5 55.14(14) . . ?
Se8 Co6 Co5 115.67(18) . . ?
Se6 Co6 Co5 54.24(14) . . ?
Se1 Co6 Co5 109.92(19) . . ?
P6 Co6 Co2 140.6(3) . . ?
Se5 Co6 Co2 110.11(17) . . ?
Se8 Co6 Co2 52.48(14) . . ?
Se6 Co6 Co2 112.79(18) . . ?
Se1 Co6 Co2 51.63(13) . . ?
Co5 Co6 Co2 90.29(15) . . ?
P6 Co6 Co4 132.6(3) . . ?
Se5 Co6 Co4 51.89(12) . . ?
Se8 Co6 Co4 52.18(14) . . ?
Se6 Co6 Co4 117.72(18) . . ?
Se1 Co6 Co4 109.97(16) . . ?
Co5 Co6 Co4 63.88(14) . . ?
Co2 Co6 Co4 58.55(13) . . ?
P6 Co6 Co1 138.0(3) . . ?
Se5 Co6 Co1 112.47(18) . . ?
Se8 Co6 Co1 110.90(16) . . ?
Se6 Co6 Co1 54.22(13) . . ?
Se1 Co6 Co1 51.51(13) . . ?
Co5 Co6 Co1 58.51(14) . . ?
Co2 Co6 Co1 58.58(13) . . ?
Co4 Co6 Co1 89.20(15) . . ?
N1 Co7 N2 138.1(11) . . ?
N1 Co7 N7 103.6(10) . . ?
N2 Co7 N7 109.0(11) . . ?
N1 Co7 Se1 99.8(6) . . ?
N2 Co7 Se1 93.3(8) . . ?
N7 Co7 Se1 109.7(6) . . ?
N3 Co8 N4 134.9(10) . . ?
N3 Co8 N8 104.3(11) . . ?
N4 Co8 N8 112.4(11) . . ?
N3 Co8 Se3 95.8(7) . . ?
N4 Co8 Se3 96.7(7) . . ?
N8 Co8 Se3 108.2(9) . . ?
N5 Co9 N6 142.6(10) . . ?
N5 Co9 N9 106.2(9) . . ?
N6 Co9 N9 101.7(10) . . ?
N5 Co9 Se6 95.7(6) . . ?
N6 Co9 Se6 96.6(6) . . ?
N9 Co9 Se6 111.8(6) . . ?
Co2 Se1 Co1 74.01(17) . . ?
Co2 Se1 Co6 74.12(15) . . ?
Co1 Se1 Co6 74.87(15) . . ?
Co2 Se1 Co7 95.17(16) . . ?
Co1 Se1 Co7 92.15(17) . . ?
Co6 Se1 Co7 164.92(19) . . ?
Co2 Se2 Co1 75.17(16) . . ?
Co2 Se2 Co3 76.09(16) . . ?
Co1 Se2 Co3 77.96(14) . . ?
Co4 Se3 Co2 73.53(15) . . ?
Co4 Se3 Co3 69.09(16) . . ?
Co2 Se3 Co3 73.86(16) . . ?
Co4 Se3 Co8 93.20(16) . . ?
Co2 Se3 Co8 164.49(17) . . ?
Co3 Se3 Co8 94.16(18) . . ?
Co3 Se4 Co4 70.38(16) . . ?
Co3 Se4 Co5 73.81(14) . . ?
Co4 Se4 Co5 78.55(16) . . ?
Co6 Se5 Co4 77.67(15) . . ?
Co6 Se5 Co5 71.85(16) . . ?
Co4 Se5 Co5 78.91(16) . . ?
Co5 Se6 Co6 70.91(16) . . ?
Co5 Se6 Co1 70.24(14) . . ?
Co6 Se6 Co1 74.34(15) . . ?
Co5 Se6 Co9 90.89(15) . . ?
Co6 Se6 Co9 89.68(17) . . ?
Co1 Se6 Co9 158.29(19) . . ?
Co1 Se7 Co3 78.34(16) . . ?
Co1 Se7 Co5 72.62(15) . . ?
Co3 Se7 Co5 73.93(16) . . ?
Co6 Se8 Co2 75.89(17) . . ?
Co6 Se8 Co4 76.74(17) . . ?
Co2 Se8 Co4 73.78(17) . . ?
C233 C232 C237 120 . . ?
C233 C232 N2 122(3) . . ?
C237 C232 N2 117(3) . . ?
C234 C233 C232 120 . . ?
C234 C233 H233 120 . . ?
C232 C233 H233 120 . . ?
C233 C234 C235 120 . . ?
C233 C234 H234 120 . . ?
C235 C234 H234 120 . . ?
C234 C235 C236 120 . . ?
C234 C235 C238 120(2) . . ?
C236 C235 C238 120(2) . . ?
C237 C236 C235 120 . . ?
C237 C236 H236 120 . . ?
C235 C236 H236 120 . . ?
C236 C237 C232 120 . . ?
C236 C237 H237 120 . . ?
C232 C237 H237 120 . . ?
C235 C238 H23A 109.5 . . ?
C235 C238 H23B 109.4 . . ?
H23A C238 H23B 109.5 . . ?
C235 C238 H23C 109.5 . . ?
H23A C238 H23C 109.5 . . ?
H23B C238 H23C 109.5 . . ?
C271 C270 C275 120 . . ?
C271 C270 N4 128(3) . . ?
C275 C270 N4 112(3) . . ?
C272 C271 C270 120 . . ?
C272 C271 H71B 120 . . ?
C270 C271 H71B 120 . . ?
C271 C272 C273 120 . . ?
C271 C272 H72B 120 . . ?
C273 C272 H72B 120 . . ?
C272 C273 C274 120 . . ?
C272 C273 C276 122(5) . . ?
C274 C273 C276 118(5) . . ?
C273 C274 C275 120 . . ?
C273 C274 H74B 120 . . ?
C275 C274 H74B 120 . . ?
C274 C275 C270 120 . . ?
C274 C275 H75B 120 . . ?
C270 C275 H75B 120 . . ?
C273 C276 H76D 107.7 . . ?
C273 C276 H76E 112.1 . . ?
H76D C276 H76E 109.5 . . ?
C273 C276 H76F 108.6 . . ?
H76D C276 H76F 109.5 . . ?
H76E C276 H76F 109.5 . . ?


#----------------------------------------------------------------------------#
#                   SQUEEZE DETAILS                                          #
#----------------------------------------------------------------------------#


# END of CIF
_chemical_properties_physical    Air-sensitive
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2012109'
loop_
_audit_author_name
_audit_author_address
'Werner Kaminsky'
;University of Washington, Department of Chemistry
United States of America
;
_audit_update_record             
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_RINTA01_shelx               
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: Small weakly diffracting sample caused us to go to maxmum exposure time, yet, signal to noise ratio is slightly lacking.
;
_vrf_PLAT020_shelx               
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.269 Report
RESPONSE: See above.
;
_vrf_PLAT026_shelx               
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        25% Check
RESPONSE: See above.
;
# Added during the CSD deposition process: Wednesday 24 June 2020 09:42 PM
# end Validation Reply Form


_audit_creation_date             2019-08-28T15:20:00-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C132 H117 Co9 N9 P6 Se8'
_chemical_formula_sum            'C132 H117 Co9 N9 P6 Se8'
_chemical_formula_weight         3177.21

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3355(14)
_cell_length_b                   17.8362(17)
_cell_length_c                   29.564(3)
_cell_angle_alpha                87.013(6)
_cell_angle_beta                 87.701(5)
_cell_angle_gamma                82.900(5)
_cell_volume                     8008.9(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2986
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      20.12
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       piece
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3154

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    2.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.633
_exptl_absorpt_correction_T_max  0.745
_shelx_estimated_absorpt_T_min   0.71
_shelx_estimated_absorpt_T_max   0.849

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'APEX-II CCD'
_diffrn_orient_matrix_ub_11      0.036101
_diffrn_orient_matrix_ub_12      -0.009811
_diffrn_orient_matrix_ub_13      -0.028479
_diffrn_orient_matrix_ub_21      0.02481
_diffrn_orient_matrix_ub_22      -0.05049
_diffrn_orient_matrix_ub_23      0.013264
_diffrn_orient_matrix_ub_31      -0.049034
_diffrn_orient_matrix_ub_32      -0.023534
_diffrn_orient_matrix_ub_33      -0.012712
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.2693
_diffrn_reflns_av_unetI/netI     0.6287
_diffrn_reflns_number            28506
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.314
_diffrn_reflns_theta_max         25.091
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_reflns_Friedel_coverage         0
_reflns_number_total             28506
_reflns_number_gt                7191
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0792P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         28506
_refine_ls_number_parameters     1274
_refine_ls_number_restraints     1772
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.2913
_refine_ls_R_factor_gt           0.0856
_refine_ls_wR_factor_ref         0.238
_refine_ls_wR_factor_gt          0.1839
_refine_ls_goodness_of_fit_ref   0.803
_refine_ls_restrained_S_all      0.802
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         0.817
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.129

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
_atom_site_disorder_assembly
_atom_site_disorder_group
P1 P 0.8722(3) 0.6692(3) 0.15591(16) 0.0850(19) Uani 1 1 d D . . . .
N1 N 0.8687(9) 0.5821(7) 0.1391(5) 0.096(5) Uani 1 1 d D U . . .
C1 C 0.8315(7) 0.7334(6) 0.1079(4) 0.085(6) Uani 1 1 d DG U . . .
C2 C 0.8222(7) 0.8115(7) 0.1111(3) 0.080(6) Uani 1 1 d DG U . . .
H2 H 0.8389 0.8328 0.1378 0.096 Uiso 1 1 calc R U . . .
C3 C 0.7884(7) 0.8583(5) 0.0753(4) 0.084(6) Uani 1 1 d DG U . . .
H3 H 0.7821 0.9117 0.0775 0.101 Uiso 1 1 calc R U . . .
C4 C 0.7640(8) 0.8271(7) 0.0363(4) 0.114(8) Uani 1 1 d DG U . . .
H4 H 0.7409 0.8592 0.0119 0.137 Uiso 1 1 calc R U . . .
C5 C 0.7733(8) 0.7491(8) 0.0331(3) 0.114(8) Uani 1 1 d DG U . . .
H5 H 0.7566 0.7277 0.0065 0.136 Uiso 1 1 calc R U . . .
C6 C 0.8071(8) 0.7022(5) 0.0689(4) 0.103(7) Uani 1 1 d DG U . . .
H6 H 0.8135 0.6488 0.0668 0.124 Uiso 1 1 calc R U . . .
C7 C 0.9894(5) 0.6794(7) 0.1614(4) 0.072(6) Uani 1 1 d DG U . . .
C8 C 1.0213(8) 0.7475(6) 0.1491(4) 0.104(7) Uani 1 1 d DG U . . .
H8 H 0.983 0.7888 0.1369 0.125 Uiso 1 1 calc R U . . .
C9 C 1.1093(9) 0.7550(7) 0.1548(5) 0.140(10) Uani 1 1 d DG U . . .
H9 H 1.1311 0.8016 0.1464 0.168 Uiso 1 1 calc R U . . .
C10 C 1.1654(6) 0.6945(9) 0.1727(5) 0.119(8) Uani 1 1 d DG U . . .
H10 H 1.2255 0.6997 0.1766 0.143 Uiso 1 1 calc R U . . .
C11 C 1.1335(7) 0.6264(8) 0.1850(4) 0.104(7) Uani 1 1 d DG U . . .
H11 H 1.1718 0.5851 0.1972 0.125 Uiso 1 1 calc R U . . .
C12 C 1.0455(8) 0.6189(6) 0.1793(4) 0.087(6) Uani 1 1 d DG U . . .
H12 H 1.0237 0.5723 0.1877 0.104 Uiso 1 1 calc R U . . .
C13 C 0.9318(8) 0.5425(8) 0.1072(4) 0.112(7) Uani 1 1 d DG U . . .
C14 C 0.9900(10) 0.5808(6) 0.0804(5) 0.131(7) Uani 1 1 d DG U . . .
H14 H 0.9885 0.634 0.0819 0.158 Uiso 1 1 calc R U . . .
C15 C 1.0502(9) 0.5414(9) 0.0512(4) 0.140(7) Uani 1 1 d DG U . . .
H15 H 1.09 0.5676 0.0328 0.168 Uiso 1 1 calc R U . . .
C16 C 1.0523(8) 0.4635(9) 0.0489(4) 0.120(7) Uani 1 1 d DG U . . .
C17 C 0.9942(10) 0.4251(6) 0.0758(5) 0.126(9) Uani 1 1 d DG U . . .
H17 H 0.9956 0.3719 0.0742 0.152 Uiso 1 1 calc R U . . .
C18 C 0.9339(9) 0.4646(8) 0.1049(4) 0.139(9) Uani 1 1 d DG U . . .
H18 H 0.8942 0.4384 0.1233 0.166 Uiso 1 1 calc R U . . .
C19 C 1.1254(15) 0.4175(14) 0.0199(9) 0.230(15) Uani 1 1 d D U . . .
H19A H 1.1613 0.3813 0.0396 0.345 Uiso 1 1 d R U . . .
H19B H 1.1627 0.4523 0.0043 0.345 Uiso 1 1 d R U . . .
H19C H 1.0982 0.3902 -0.0026 0.345 Uiso 1 1 d R U . . .
P2 P 0.6965(4) 0.4742(3) 0.26336(17) 0.099(2) Uani 1 1 d D . . . .
N2 N 0.7570(8) 0.4476(8) 0.2173(4) 0.100(5) Uani 1 1 d D U . . .
C20 C 0.5798(6) 0.4624(7) 0.2498(5) 0.091(7) Uani 1 1 d DG U . . .
C21 C 0.5659(8) 0.4415(7) 0.2063(4) 0.108(7) Uani 1 1 d DG U . . .
H21 H 0.6144 0.4307 0.1857 0.129 Uiso 1 1 calc R U . . .
C22 C 0.4810(10) 0.4365(8) 0.1929(4) 0.148(10) Uani 1 1 d DG U . . .
H22 H 0.4716 0.4222 0.1632 0.178 Uiso 1 1 calc R U . . .
C23 C 0.4101(7) 0.4523(8) 0.2231(6) 0.130(9) Uani 1 1 d DG U . . .
H23 H 0.3521 0.4488 0.214 0.156 Uiso 1 1 calc R U . . .
C24 C 0.4239(7) 0.4732(8) 0.2666(5) 0.118(8) Uani 1 1 d DG U . . .
H24 H 0.3754 0.484 0.2872 0.142 Uiso 1 1 calc R U . . .
C25 C 0.5088(9) 0.4783(7) 0.2800(4) 0.123(8) Uani 1 1 d DG U . . .
H25 H 0.5183 0.4926 0.3098 0.148 Uiso 1 1 calc R U . . .
C26 C 0.7267(11) 0.4002(8) 0.3069(4) 0.129(9) Uani 1 1 d DG U . . .
C27 C 0.8117(9) 0.3928(8) 0.3227(5) 0.135(9) Uani 1 1 d DG U . . .
H27 H 0.8517 0.4264 0.3113 0.162 Uiso 1 1 calc R U . . .
C28 C 0.8382(9) 0.3361(10) 0.3551(5) 0.156(10) Uani 1 1 d DG U . . .
H28 H 0.8962 0.331 0.3658 0.187 Uiso 1 1 calc R U . . .
C29 C 0.7796(14) 0.2869(8) 0.3717(5) 0.188(13) Uani 1 1 d DG U . . .
H29 H 0.7977 0.2481 0.3938 0.226 Uiso 1 1 calc R U . . .
C30 C 0.6947(12) 0.2943(8) 0.3559(6) 0.191(13) Uani 1 1 d DG U . . .
H30 H 0.6547 0.2607 0.3673 0.229 Uiso 1 1 calc R U . . .
C31 C 0.6682(8) 0.3510(10) 0.3236(6) 0.191(13) Uani 1 1 d DG U . . .
H31 H 0.6101 0.3561 0.3128 0.23 Uiso 1 1 calc R U . . .
C32 C 0.8055(9) 0.3752(6) 0.2133(5) 0.103(7) Uani 1 1 d DG U . . .
C33 C 0.8969(9) 0.3666(7) 0.2107(5) 0.130(7) Uani 1 1 d DG U . . .
H33 H 0.9275 0.4097 0.2104 0.156 Uiso 1 1 calc R U . . .
C34 C 0.9434(7) 0.2947(9) 0.2086(5) 0.163(9) Uani 1 1 d DG U . . .
H34 H 1.0058 0.2888 0.2068 0.195 Uiso 1 1 calc R U . . .
C35 C 0.8985(10) 0.2316(7) 0.2090(5) 0.142(8) Uani 1 1 d DG U . . .
C36 C 0.8071(10) 0.2402(7) 0.2116(5) 0.130(9) Uani 1 1 d DG U . . .
H36 H 0.7765 0.1971 0.2119 0.156 Uiso 1 1 calc R U . . .
C37 C 0.7606(7) 0.3120(9) 0.2137(4) 0.105(7) Uani 1 1 d DG U . . .
H37 H 0.6982 0.318 0.2155 0.126 Uiso 1 1 calc R U . . .
C38 C 0.9472(14) 0.1495(10) 0.2111(10) 0.192(12) Uani 1 1 d D U . . .
H38A H 0.921 0.1198 0.2357 0.288 Uiso 1 1 d R U . . .
H38B H 1.0095 0.1511 0.2168 0.288 Uiso 1 1 d R U . . .
H38C H 0.942 0.1259 0.1823 0.288 Uiso 1 1 d R U . . .
P3 P 0.9703(3) 0.6536(3) 0.34672(14) 0.0563(14) Uani 1 1 d D . . . .
N3 N 0.9518(7) 0.6492(6) 0.4030(3) 0.051(4) Uani 1 1 d D U . . .
C39 C 1.0355(8) 0.5624(6) 0.3352(4) 0.069(6) Uani 1 1 d DG U . . .
C40 C 1.1032(8) 0.5543(7) 0.3025(4) 0.132(9) Uani 1 1 d DG U . . .
H40 H 1.1247 0.5978 0.2884 0.158 Uiso 1 1 calc R U . . .
C41 C 1.1394(8) 0.4826(9) 0.2903(4) 0.106(7) Uani 1 1 d DG U . . .
H41 H 1.1856 0.477 0.2679 0.127 Uiso 1 1 calc R U . . .
C42 C 1.1078(11) 0.4189(6) 0.3108(6) 0.173(10) Uani 1 1 d DG U . . .
H42 H 1.1325 0.3699 0.3025 0.208 Uiso 1 1 calc R U . . .
C43 C 1.0401(11) 0.4270(7) 0.3436(6) 0.188(10) Uani 1 1 d DG U . . .
H43 H 1.0185 0.3835 0.3576 0.226 Uiso 1 1 calc R U . . .
C44 C 1.0039(8) 0.4988(9) 0.3557(4) 0.160(9) Uani 1 1 d DG U . . .
H44 H 0.9576 0.5043 0.3781 0.192 Uiso 1 1 calc R U . . .
C45 C 1.0388(7) 0.7303(5) 0.3340(4) 0.066(5) Uani 1 1 d DG U . . .
C46 C 1.0453(7) 0.7830(7) 0.3663(3) 0.096(7) Uani 1 1 d DG U . . .
H46 H 1.0206 0.7758 0.396 0.116 Uiso 1 1 calc R U . . .
C47 C 1.0880(9) 0.8462(6) 0.3553(5) 0.128(9) Uani 1 1 d DG U . . .
H47 H 1.0925 0.8822 0.3774 0.154 Uiso 1 1 calc R U . . .
C48 C 1.1242(8) 0.8567(6) 0.3119(5) 0.125(8) Uani 1 1 d DG U . . .
H48 H 1.1534 0.8999 0.3044 0.15 Uiso 1 1 calc R U . . .
C49 C 1.1177(7) 0.8040(8) 0.2796(4) 0.103(7) Uani 1 1 d DG U . . .
H49 H 1.1424 0.8112 0.2499 0.124 Uiso 1 1 calc R U . . .
C50 C 1.0750(7) 0.7408(6) 0.2906(4) 0.081(6) Uani 1 1 d DG U . . .
H50 H 1.0706 0.7048 0.2685 0.098 Uiso 1 1 calc R U . . .
C51 C 1.0208(11) 0.6289(12) 0.4352(5) 0.039(4) Uani 0.5 1 d DG U P A 1
C52 C 0.9971(10) 0.6302(11) 0.4810(6) 0.058(7) Uani 0.5 1 d DG U P A 1
H52 H 0.9389 0.6492 0.4904 0.069 Uiso 0.5 1 calc R U P A 1
C53 C 1.0585(14) 0.6037(12) 0.5132(5) 0.062(8) Uani 0.5 1 d DG U P A 1
H53 H 1.0424 0.6046 0.5446 0.075 Uiso 0.5 1 calc R U P A 1
C54 C 1.1437(13) 0.5760(12) 0.4995(7) 0.050(5) Uani 0.5 1 d DG U P A 1
C55 C 1.1674(10) 0.5747(12) 0.4537(8) 0.071(8) Uani 0.5 1 d DG U P A 1
H55 H 1.2256 0.5557 0.4444 0.085 Uiso 0.5 1 calc R U P A 1
C56 C 1.1059(12) 0.6011(12) 0.4215(5) 0.052(7) Uani 0.5 1 d DG U P A 1
H56 H 1.1221 0.6002 0.3902 0.062 Uiso 0.5 1 calc R U P A 1
C57 C 1.213(3) 0.544(4) 0.5347(14) 0.053(9) Uani 0.5 1 d D U P A 1
H57A H 1.1907 0.5039 0.5538 0.079 Uiso 0.5 1 calc R U P A 1
H57B H 1.2253 0.5849 0.5537 0.079 Uiso 0.5 1 calc R U P A 1
H57C H 1.2677 0.524 0.5187 0.079 Uiso 0.5 1 calc R U P A 1
P4 P 0.6369(3) 0.7056(2) 0.41453(14) 0.0470(13) Uani 1 1 d D . . . .
N4 N 0.7221(6) 0.6859(6) 0.4487(3) 0.042(3) Uani 1 1 d D U . . .
C58 C 0.5828(6) 0.7998(4) 0.4293(3) 0.047(4) Uani 1 1 d DG U . . .
C59 C 0.5058(6) 0.8307(5) 0.4088(3) 0.045(4) Uani 1 1 d DG U . . .
H59 H 0.4761 0.8007 0.3903 0.054 Uiso 1 1 calc R U . . .
C60 C 0.4721(6) 0.9055(6) 0.4153(4) 0.071(5) Uani 1 1 d DG U . . .
H60 H 0.4194 0.9267 0.4013 0.085 Uiso 1 1 calc R U . . .
C61 C 0.5155(8) 0.9494(4) 0.4423(4) 0.092(7) Uani 1 1 d DG U . . .
H61 H 0.4925 1.0005 0.4468 0.11 Uiso 1 1 calc R U . . .
C62 C 0.5926(8) 0.9185(6) 0.4629(4) 0.100(7) Uani 1 1 d DG U . . .
H62 H 0.6223 0.9485 0.4814 0.12 Uiso 1 1 calc R U . . .
C63 C 0.6263(5) 0.8437(6) 0.4564(3) 0.066(5) Uani 1 1 d DG U . . .
H63 H 0.679 0.8225 0.4704 0.079 Uiso 1 1 calc R U . . .
C64 C 0.5564(6) 0.6393(5) 0.4308(3) 0.057(5) Uani 1 1 d DG U . . .
C65 C 0.5794(5) 0.5630(6) 0.4231(3) 0.049(5) Uani 1 1 d DG U . . .
H65 H 0.6362 0.5459 0.4109 0.059 Uiso 1 1 calc R U . . .
C66 C 0.5193(8) 0.5118(4) 0.4333(4) 0.075(6) Uani 1 1 d DG U . . .
H66 H 0.535 0.4597 0.4281 0.089 Uiso 1 1 calc R U . . .
C67 C 0.4362(7) 0.5369(6) 0.4511(4) 0.076(6) Uani 1 1 d DG U . . .
H67 H 0.3951 0.5019 0.4581 0.091 Uiso 1 1 calc R U . . .
C68 C 0.4132(5) 0.6131(7) 0.4588(3) 0.085(6) Uani 1 1 d DG U . . .
H68 H 0.3564 0.6302 0.4709 0.102 Uiso 1 1 calc R U . . .
C69 C 0.4733(7) 0.6643(5) 0.4486(3) 0.063(5) Uani 1 1 d DG U . . .
H69 H 0.4576 0.7164 0.4538 0.076 Uiso 1 1 calc R U . . .
C70 C 0.7072(7) 0.6649(6) 0.4961(3) 0.048(4) Uani 1 1 d DG U . . .
C71 C 0.6290(6) 0.6847(6) 0.5204(4) 0.073(6) Uani 1 1 d DG U . . .
H71 H 0.5812 0.7142 0.5061 0.088 Uiso 1 1 calc R U . . .
C72 C 0.6209(7) 0.6614(6) 0.5658(4) 0.071(5) Uani 1 1 d DG U . . .
H72 H 0.5675 0.6749 0.5825 0.085 Uiso 1 1 calc R U . . .
C73 C 0.6909(9) 0.6182(7) 0.5869(3) 0.093(7) Uani 1 1 d DG U . . .
C74 C 0.7690(7) 0.5984(7) 0.5625(4) 0.134(9) Uani 1 1 d DG U . . .
H74 H 0.8169 0.5688 0.5769 0.16 Uiso 1 1 calc R U . . .
C75 C 0.7772(6) 0.6217(6) 0.5171(4) 0.089(6) Uani 1 1 d DG U . . .
H75 H 0.8306 0.6082 0.5005 0.107 Uiso 1 1 calc R U . . .
C76 C 0.6741(14) 0.5864(13) 0.6357(6) 0.152(10) Uani 1 1 d D U . . .
H76A H 0.6213 0.6147 0.649 0.228 Uiso 1 1 calc R U . . .
H76B H 0.7247 0.5915 0.654 0.228 Uiso 1 1 calc R U . . .
H76C H 0.6658 0.5329 0.635 0.228 Uiso 1 1 calc R U . . .
P5 P 0.7392(3) 0.9328(2) 0.26650(14) 0.0506(13) Uani 1 1 d D . . . .
N5 N 0.6406(6) 0.9721(6) 0.2516(4) 0.050(4) Uani 1 1 d D U . . .
C77 C 0.7666(7) 0.9871(6) 0.3150(3) 0.059(5) Uani 1 1 d DG U . . .
C78 C 0.8194(7) 1.0449(7) 0.3082(3) 0.105(6) Uani 1 1 d DG U . . .
H78 H 0.846 1.0541 0.2792 0.126 Uiso 1 1 calc R U . . .
C79 C 0.8334(8) 1.0892(6) 0.3440(5) 0.132(7) Uani 1 1 d DG U . . .
H79 H 0.8695 1.1287 0.3394 0.159 Uiso 1 1 calc R U . . .
C80 C 0.7944(9) 1.0757(7) 0.3864(4) 0.111(6) Uani 1 1 d DG U . . .
H80 H 0.8039 1.1059 0.4108 0.133 Uiso 1 1 calc R U . . .
C81 C 0.7416(8) 1.0179(7) 0.3931(3) 0.080(6) Uani 1 1 d DG U . . .
H81 H 0.7149 1.0086 0.4221 0.096 Uiso 1 1 calc R U . . .
C82 C 0.7276(6) 0.9736(6) 0.3574(4) 0.070(5) Uani 1 1 d DG U . . .
H82 H 0.6915 0.934 0.362 0.084 Uiso 1 1 calc R U . . .
C83 C 0.8163(7) 0.9579(6) 0.2211(3) 0.062(5) Uani 1 1 d DG U . . .
C84 C 0.7857(6) 0.9918(6) 0.1804(4) 0.074(6) Uani 1 1 d DG U . . .
H84 H 0.7246 1.0067 0.1771 0.088 Uiso 1 1 calc R U . . .
C85 C 0.8446(10) 1.0037(7) 0.1446(3) 0.109(8) Uani 1 1 d DG U . . .
H85 H 0.8236 1.0269 0.1167 0.131 Uiso 1 1 calc R U . . .
C86 C 0.9340(9) 0.9818(8) 0.1494(4) 0.140(10) Uani 1 1 d DG U . . .
H86 H 0.9742 0.99 0.1249 0.168 Uiso 1 1 calc R U . . .
C87 C 0.9646(5) 0.9479(7) 0.1901(5) 0.119(8) Uani 1 1 d DG U . . .
H87 H 1.0257 0.933 0.1934 0.143 Uiso 1 1 calc R U . . .
C88 C 0.9057(8) 0.9360(6) 0.2259(4) 0.094(7) Uani 1 1 d DG U . . .
H88 H 0.9266 0.9128 0.2538 0.113 Uiso 1 1 calc R U . . .
C89 C 0.6016(8) 1.0453(6) 0.2669(4) 0.068(5) Uani 1 1 d DG U . . .
C90 C 0.6182(8) 1.1126(9) 0.2443(4) 0.159(11) Uani 1 1 d DG U . . .
H90 H 0.6611 1.112 0.2202 0.19 Uiso 1 1 calc R U . . .
C91 C 0.5719(10) 1.1807(6) 0.2569(5) 0.158(9) Uani 1 1 d DG U . . .
H91 H 0.5832 1.2267 0.2414 0.189 Uiso 1 1 calc R U . . .
C92 C 0.5090(9) 1.1815(6) 0.2921(5) 0.115(7) Uani 1 1 d DG U . . .
C93 C 0.4924(8) 1.1142(9) 0.3147(4) 0.126(7) Uani 1 1 d DG U . . .
H93 H 0.4494 1.1148 0.3388 0.151 Uiso 1 1 calc R U . . .
C94 C 0.5387(9) 1.0461(7) 0.3021(4) 0.113(8) Uani 1 1 d DG U . . .
H94 H 0.5273 1.0001 0.3176 0.136 Uiso 1 1 calc R U . . .
C95 C 0.4617(15) 1.2588(10) 0.3074(8) 0.163(11) Uani 1 1 d D U . . .
H95A H 0.4059 1.2511 0.3231 0.244 Uiso 1 1 calc R U . . .
H95B H 0.4503 1.2932 0.2807 0.244 Uiso 1 1 calc R U . . .
H95C H 0.4992 1.2809 0.3278 0.244 Uiso 1 1 calc R U . . .
P6 P 0.4752(3) 0.7680(3) 0.23490(17) 0.0744(17) Uani 1 1 d D . . . .
N6 N 0.4663(7) 0.8620(6) 0.2249(4) 0.063(4) Uani 1 1 d D U . . .
C96 C 0.4448(8) 0.7293(7) 0.1815(3) 0.089(6) Uani 1 1 d DG U . . .
C97 C 0.4501(8) 0.6515(7) 0.1776(4) 0.118(8) Uani 1 1 d DG U . . .
H97 H 0.4714 0.6181 0.2019 0.142 Uiso 1 1 calc R U . . .
C98 C 0.4243(9) 0.6226(6) 0.1382(5) 0.122(8) Uani 1 1 d DG U . . .
H98 H 0.4279 0.5694 0.1355 0.146 Uiso 1 1 calc R U . . .
C99 C 0.3931(9) 0.6714(9) 0.1027(4) 0.127(8) Uani 1 1 d DG U . . .
H99 H 0.3755 0.6516 0.0757 0.152 Uiso 1 1 calc R U . . .
C100 C 0.3879(8) 0.7492(8) 0.1065(4) 0.111(8) Uani 1 1 d DG U . . .
H100 H 0.3666 0.7825 0.0823 0.133 Uiso 1 1 calc R U . . .
C101 C 0.4137(8) 0.7781(6) 0.1460(4) 0.099(7) Uani 1 1 d DG U . . .
H101 H 0.4101 0.8313 0.1486 0.119 Uiso 1 1 calc R U . . .
C102 C 0.3936(6) 0.7509(7) 0.2798(3) 0.061(5) Uani 1 1 d DG U . . .
C103 C 0.3579(8) 0.6828(7) 0.2828(4) 0.118(8) Uani 1 1 d DG U . . .
H103 H 0.3685 0.6487 0.259 0.142 Uiso 1 1 calc R U . . .
C104 C 0.3067(7) 0.6645(6) 0.3207(5) 0.111(8) Uani 1 1 d DG U . . .
H104 H 0.2823 0.6179 0.3227 0.133 Uiso 1 1 calc R U . . .
C105 C 0.2911(7) 0.7143(9) 0.3556(4) 0.120(8) Uani 1 1 d DG U . . .
H105 H 0.2561 0.7018 0.3814 0.144 Uiso 1 1 calc R U . . .
C106 C 0.3268(8) 0.7824(8) 0.3525(4) 0.105(7) Uani 1 1 d DG U . . .
H106 H 0.3162 0.8164 0.3764 0.126 Uiso 1 1 calc R U . . .
C107 C 0.3781(7) 0.8007(6) 0.3147(4) 0.101(7) Uani 1 1 d DG U . . .
H107 H 0.4024 0.8472 0.3126 0.121 Uiso 1 1 calc R U . . .
C108 C 0.3830(8) 0.9107(7) 0.2265(5) 0.095(6) Uani 1 1 d DG U . . .
C109 C 0.3036(10) 0.8867(6) 0.2162(4) 0.099(7) Uani 1 1 d DG U . . .
H109 H 0.3015 0.8356 0.2092 0.119 Uiso 1 1 calc R U . . .
C110 C 0.2271(7) 0.9375(9) 0.2163(5) 0.143(10) Uani 1 1 d DG U . . .
H110 H 0.1728 0.9211 0.2092 0.172 Uiso 1 1 calc R U . . .
C111 C 0.2301(9) 1.0123(8) 0.2266(6) 0.159(11) Uani 1 1 d DG U . . .
C112 C 0.3095(11) 1.0363(6) 0.2368(5) 0.161(9) Uani 1 1 d DG U . . .
H112 H 0.3116 1.0874 0.2439 0.193 Uiso 1 1 calc R U . . .
C113 C 0.3860(8) 0.9855(8) 0.2368(5) 0.152(8) Uani 1 1 d DG U . . .
H113 H 0.4403 1.0019 0.2438 0.182 Uiso 1 1 calc R U . . .
C114 C 0.1473(12) 1.0728(12) 0.2278(9) 0.174(11) Uani 1 1 d D U . . .
H11A H 0.1475 1.1019 0.255 0.262 Uiso 1 1 d R U . . .
H11B H 0.0941 1.0474 0.2284 0.262 Uiso 1 1 d R U . . .
H11C H 0.1484 1.107 0.2008 0.262 Uiso 1 1 d R U . . .
Co7 Co 0.7771(2) 0.52594(16) 0.16988(9) 0.1089(12) Uani 1 1 d D . . . .
N7 N 0.7026(11) 0.5066(9) 0.1160(5) 0.105(6) Uani 1 1 d D U . . .
C115 C 0.6904(14) 0.4387(11) 0.1040(7) 0.132(9) Uani 1 1 d D U . . .
H115 H 0.7216 0.3962 0.1194 0.159 Uiso 1 1 calc R U . . .
C116 C 0.6334(12) 0.4253(10) 0.0694(6) 0.098(7) Uani 1 1 d D U . . .
H116 H 0.6277 0.375 0.0621 0.117 Uiso 1 1 calc R U . . .
C117 C 0.5882(13) 0.4827(11) 0.0474(7) 0.101(7) Uani 1 1 d D U . . .
C118 C 0.5919(13) 0.5547(10) 0.0612(7) 0.112(8) Uani 1 1 d D U . . .
H118 H 0.5541 0.597 0.0497 0.135 Uiso 1 1 calc R U . . .
C119 C 0.6553(13) 0.5616(11) 0.0934(7) 0.121(8) Uani 1 1 d D U . . .
H119 H 0.665 0.6117 0.0995 0.145 Uiso 1 1 calc R U . . .
C120 C 0.5285(12) 0.4722(11) 0.0106(6) 0.103(7) Uani 1 1 d D U . . .
H120 H 0.5295 0.4223 0.0007 0.124 Uiso 1 1 calc R U . . .
Co8 Co 0.83738(13) 0.69863(12) 0.42448(7) 0.0441(6) Uani 1 1 d D . . . .
N8 N 0.8736(8) 0.7859(7) 0.4600(4) 0.068(4) Uani 1 1 d D U . . .
C121 C 0.8746(13) 0.8523(9) 0.4410(6) 0.100(5) Uani 1 1 d D U . . .
H121 H 0.8479 0.8605 0.4124 0.12 Uiso 1 1 calc R U . . .
C122 C 0.9101(13) 0.9143(10) 0.4573(6) 0.113(6) Uani 1 1 d D U . . .
H122 H 0.9075 0.9603 0.4394 0.136 Uiso 1 1 calc R U . . .
C123 C 0.9463(12) 0.9092(9) 0.4963(6) 0.083(5) Uani 1 1 d D U . . .
C124 C 0.9527(14) 0.8395(11) 0.5173(7) 0.125(6) Uani 1 1 d D U . . .
H124 H 0.9876 0.8281 0.5432 0.15 Uiso 1 1 calc R U . . .
C125 C 0.9064(14) 0.7838(10) 0.4999(6) 0.114(6) Uani 1 1 d D U . . .
H125 H 0.8986 0.7408 0.5193 0.137 Uiso 1 1 calc R U . . .
C126 C 0.9948(12) 0.9709(8) 0.5117(6) 0.077(5) Uani 1 1 d D U . . .
H126 H 1.0191 0.9649 0.5409 0.092 Uiso 1 1 calc R U . . .
Co9 Co 0.57079(14) 0.90967(13) 0.21947(7) 0.0546(7) Uani 1 1 d D . . . .
N9 N 0.5550(9) 0.9503(8) 0.1537(4) 0.069(4) Uani 1 1 d D U . . .
C127 C 0.5647(12) 0.9043(10) 0.1202(5) 0.088(6) Uani 1 1 d D U . . .
H127 H 0.58 0.852 0.1274 0.106 Uiso 1 1 calc R U . . .
C128 C 0.5540(12) 0.9275(10) 0.0740(5) 0.085(6) Uani 1 1 d D U . . .
H128 H 0.5711 0.8936 0.0506 0.102 Uiso 1 1 calc R U . . .
C129 C 0.5198(13) 0.9973(10) 0.0648(6) 0.087(6) Uani 1 1 d D U . . .
C130 C 0.4962(15) 1.0468(11) 0.0986(6) 0.134(9) Uani 1 1 d D U . . .
H130 H 0.4638 1.0951 0.0931 0.161 Uiso 1 1 calc R U . . .
C131 C 0.5237(13) 1.0204(10) 0.1419(6) 0.111(8) Uani 1 1 d D U . . .
H131 H 0.5192 1.0563 0.1648 0.133 Uiso 1 1 calc R U . . .
C132 C 0.4923(16) 1.0211(12) 0.0178(6) 0.129(9) Uani 1 1 d D U . . .
H132 H 0.4615 1.0703 0.0131 0.155 Uiso 1 1 calc R U . . .
Co1 Co 0.79137(15) 0.69024(13) 0.21612(7) 0.0569(7) Uani 1 1 d . . . . .
Co2 Co 0.71570(16) 0.58667(13) 0.27901(8) 0.0649(8) Uani 1 1 d . . . . .
Co3 Co 0.85251(13) 0.67404(12) 0.30897(7) 0.0457(6) Uani 1 1 d . . . . .
Co4 Co 0.67812(13) 0.70349(12) 0.34465(7) 0.0429(6) Uani 1 1 d . . . . .
Co5 Co 0.74504(13) 0.81252(12) 0.27849(7) 0.0419(6) Uani 1 1 d . . . . .
Co6 Co 0.60880(14) 0.72576(13) 0.25320(7) 0.0530(7) Uani 1 1 d . . . . .
Se1 Se 0.66752(13) 0.62570(10) 0.20559(6) 0.0700(7) Uani 1 1 d . . . . .
Se2 Se 0.86322(13) 0.58490(10) 0.25494(6) 0.0712(7) Uani 1 1 d . . . . .
Se3 Se 0.77152(11) 0.59028(9) 0.35146(5) 0.0492(5) Uani 1 1 d . . . . .
Se4 Se 0.79427(10) 0.77536(9) 0.35210(5) 0.0398(5) Uani 1 1 d . . . . .
Se5 Se 0.60445(10) 0.81127(9) 0.30996(5) 0.0474(5) Uani 1 1 d . . . . .
Se6 Se 0.69140(11) 0.80309(10) 0.20623(5) 0.0494(5) Uani 1 1 d . . . . .
Se7 Se 0.88246(11) 0.76237(10) 0.25124(5) 0.0527(5) Uani 1 1 d . . . . .
Se8 Se 0.58072(12) 0.63646(10) 0.31014(6) 0.0604(6) Uani 1 1 d . . . . .
C251 C 1.0224(13) 0.6197(12) 0.4309(7) 0.039(4) Uani 0.5 1 d G U P A 2
C252 C 0.9964(11) 0.5804(12) 0.4700(8) 0.058(7) Uani 0.5 1 d G U P A 2
H252 H 0.9379 0.5682 0.4736 0.069 Uiso 0.5 1 calc R U P A 2
C253 C 1.0561(15) 0.5591(11) 0.5039(6) 0.062(8) Uani 0.5 1 d G U P A 2
H253 H 1.0383 0.5323 0.5306 0.075 Uiso 0.5 1 calc R U P A 2
C254 C 1.1417(14) 0.5770(13) 0.4987(7) 0.050(5) Uani 0.5 1 d G U P A 2
C255 C 1.1677(11) 0.6163(13) 0.4596(8) 0.071(8) Uani 0.5 1 d G U P A 2
H255 H 1.2262 0.6285 0.456 0.085 Uiso 0.5 1 calc R U P A 2
C256 C 1.1081(15) 0.6376(12) 0.4257(7) 0.052(7) Uani 0.5 1 d G U P A 2
H256 H 1.1258 0.6644 0.399 0.062 Uiso 0.5 1 calc R U P A 2
C257 C 1.207(3) 0.561(4) 0.5388(17) 0.053(9) Uani 0.5 1 d . U P A 2
H25A H 1.2584 0.5262 0.5292 0.079 Uiso 0.5 1 calc R U P A 2
H25B H 1.1777 0.5385 0.5651 0.079 Uiso 0.5 1 calc R U P A 2
H25C H 1.227 0.6087 0.5469 0.079 Uiso 0.5 1 calc R U P A 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
P1 N1 1.663(11) . ?
P1 C7 1.844(8) . ?
P1 C1 1.854(8) . ?
P1 Co1 2.150(5) . ?
N1 C13 1.466(11) . ?
N1 Co7 1.990(14) . ?
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C2 C3 1.39 . ?
C2 H2 0.95 . ?
C3 C4 1.39 . ?
C3 H3 0.95 . ?
C4 C5 1.39 . ?
C4 H4 0.95 . ?
C5 C6 1.39 . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C8 C9 1.39 . ?
C8 H8 0.95 . ?
C9 C10 1.39 . ?
C9 H9 0.95 . ?
C10 C11 1.39 . ?
C10 H10 0.95 . ?
C11 C12 1.39 . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C14 C15 1.39 . ?
C14 H14 0.95 . ?
C15 C16 1.39 . ?
C15 H15 0.95 . ?
C16 C17 1.39 . ?
C16 C19 1.560(15) . ?
C17 C18 1.39 . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
P2 N2 1.672(11) . ?
P2 C26 1.826(10) . ?
P2 C20 1.888(9) . ?
P2 Co2 2.140(5) . ?
N2 C32 1.417(11) . ?
N2 Co7 1.969(14) . ?
C20 C21 1.39 . ?
C20 C25 1.39 . ?
C21 C22 1.39 . ?
C21 H21 0.95 . ?
C22 C23 1.39 . ?
C22 H22 0.95 . ?
C23 C24 1.39 . ?
C23 H23 0.95 . ?
C24 C25 1.39 . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C27 1.39 . ?
C26 C31 1.39 . ?
C27 C28 1.39 . ?
C27 H27 0.95 . ?
C28 C29 1.39 . ?
C28 H28 0.95 . ?
C29 C30 1.39 . ?
C29 H29 0.95 . ?
C30 C31 1.39 . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C33 1.39 . ?
C32 C37 1.39 . ?
C33 C34 1.39 . ?
C33 H33 0.95 . ?
C34 C35 1.39 . ?
C34 H34 0.95 . ?
C35 C36 1.39 . ?
C35 C38 1.559(14) . ?
C36 C37 1.39 . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
P3 N3 1.675(9) . ?
P3 C39 1.840(9) . ?
P3 C45 1.841(8) . ?
P3 Co3 2.144(4) . ?
N3 C251 1.421(19) . ?
N3 C51 1.451(12) . ?
N3 Co8 1.962(11) . ?
C39 C40 1.39 . ?
C39 C44 1.39 . ?
C40 C41 1.39 . ?
C40 H40 0.95 . ?
C41 C42 1.39 . ?
C41 H41 0.95 . ?
C42 C43 1.39 . ?
C42 H42 0.95 . ?
C43 C44 1.39 . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.39 . ?
C45 C50 1.39 . ?
C46 C47 1.39 . ?
C46 H46 0.95 . ?
C47 C48 1.39 . ?
C47 H47 0.95 . ?
C48 C49 1.39 . ?
C48 H48 0.95 . ?
C49 C50 1.39 . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.39 . ?
C51 C56 1.39 . ?
C52 C53 1.39 . ?
C52 H52 0.95 . ?
C53 C54 1.39 . ?
C53 H53 0.95 . ?
C54 C55 1.39 . ?
C54 C57 1.554(17) . ?
C55 C56 1.39 . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
P4 N4 1.676(8) . ?
P4 C64 1.845(8) . ?
P4 C58 1.845(7) . ?
P4 Co4 2.137(5) . ?
N4 C70 1.447(10) . ?
N4 Co8 1.916(11) . ?
C58 C59 1.39 . ?
C58 C63 1.39 . ?
C59 C60 1.39 . ?
C59 H59 0.95 . ?
C60 C61 1.39 . ?
C60 H60 0.95 . ?
C61 C62 1.39 . ?
C61 H61 0.95 . ?
C62 C63 1.39 . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C65 1.39 . ?
C64 C69 1.39 . ?
C65 C66 1.39 . ?
C65 H65 0.95 . ?
C66 C67 1.39 . ?
C66 H66 0.95 . ?
C67 C68 1.39 . ?
C67 H67 0.95 . ?
C68 C69 1.39 . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C71 1.39 . ?
C70 C75 1.39 . ?
C71 C72 1.39 . ?
C71 H71 0.95 . ?
C72 C73 1.39 . ?
C72 H72 0.95 . ?
C73 C74 1.39 . ?
C73 C76 1.546(14) . ?
C74 C75 1.39 . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
P5 N5 1.654(9) . ?
P5 C83 1.827(8) . ?
P5 C77 1.860(8) . ?
P5 Co5 2.147(5) . ?
N5 C89 1.453(10) . ?
N5 Co9 1.943(10) . ?
C77 C78 1.39 . ?
C77 C82 1.39 . ?
C78 C79 1.39 . ?
C78 H78 0.95 . ?
C79 C80 1.39 . ?
C79 H79 0.95 . ?
C80 C81 1.39 . ?
C80 H80 0.95 . ?
C81 C82 1.39 . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.39 . ?
C83 C88 1.39 . ?
C84 C85 1.39 . ?
C84 H84 0.95 . ?
C85 C86 1.39 . ?
C85 H85 0.95 . ?
C86 C87 1.39 . ?
C86 H86 0.95 . ?
C87 C88 1.39 . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.39 . ?
C89 C94 1.39 . ?
C90 C91 1.39 . ?
C90 H90 0.95 . ?
C91 C92 1.39 . ?
C91 H91 0.95 . ?
C92 C93 1.39 . ?
C92 C95 1.556(14) . ?
C93 C94 1.39 . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
P6 N6 1.676(10) . ?
P6 C102 1.827(9) . ?
P6 C96 1.854(8) . ?
P6 Co6 2.174(5) . ?
N6 C108 1.454(11) . ?
N6 Co9 1.903(11) . ?
C96 C97 1.39 . ?
C96 C101 1.39 . ?
C97 C98 1.39 . ?
C97 H97 0.95 . ?
C98 C99 1.39 . ?
C98 H98 0.95 . ?
C99 C100 1.39 . ?
C99 H99 0.95 . ?
C100 C101 1.39 . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.39 . ?
C102 C107 1.39 . ?
C103 C104 1.39 . ?
C103 H103 0.95 . ?
C104 C105 1.39 . ?
C104 H104 0.95 . ?
C105 C106 1.39 . ?
C105 H105 0.95 . ?
C106 C107 1.39 . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.39 . ?
C108 C113 1.39 . ?
C109 C110 1.39 . ?
C109 H109 0.95 . ?
C110 C111 1.39 . ?
C110 H110 0.95 . ?
C111 C112 1.39 . ?
C111 C114 1.562(14) . ?
C112 C113 1.39 . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
Co7 N7 2.065(11) . ?
Co7 Se1 2.533(3) . ?
N7 C119 1.315(16) . ?
N7 C115 1.316(16) . ?
C115 C116 1.420(16) . ?
C115 H115 0.95 . ?
C116 C117 1.320(17) . ?
C116 H116 0.95 . ?
C117 C118 1.377(17) . ?
C117 C120 1.482(17) . ?
C118 C119 1.408(17) . ?
C118 H118 0.95 . ?
C119 H119 0.95 . ?
C120 C120 1.38(3) 2_665 ?
C120 H120 0.95 . ?
Co8 N8 2.065(11) . ?
Co8 Se4 2.544(3) . ?
N8 C121 1.286(15) . ?
N8 C125 1.296(15) . ?
C121 C122 1.405(16) . ?
C121 H121 0.95 . ?
C122 C123 1.296(16) . ?
C122 H122 0.95 . ?
C123 C124 1.355(17) . ?
C123 C126 1.500(16) . ?
C124 C125 1.421(16) . ?
C124 H124 0.95 . ?
C125 H125 0.95 . ?
C126 C126 1.24(3) 2_776 ?
C126 H126 0.95 . ?
Co9 N9 2.054(11) . ?
Co9 Se6 2.518(3) . ?
N9 C127 1.310(15) . ?
N9 C131 1.316(15) . ?
C127 C128 1.415(16) . ?
C127 H127 0.95 . ?
C128 C129 1.310(16) . ?
C128 H128 0.95 . ?
C129 C130 1.376(17) . ?
C129 C132 1.494(17) . ?
C130 C131 1.403(17) . ?
C130 H130 0.95 . ?
C131 H131 0.95 . ?
C132 C132 1.32(3) 2_675 ?
C132 H132 0.95 . ?
Co1 Se7 2.320(3) . ?
Co1 Se2 2.329(3) . ?
Co1 Se1 2.378(3) . ?
Co1 Se6 2.387(3) . ?
Co1 Co2 2.866(4) . ?
Co1 Co3 2.925(3) . ?
Co1 Co5 2.931(3) . ?
Co1 Co6 2.971(3) . ?
Co2 Se8 2.323(3) . ?
Co2 Se2 2.341(3) . ?
Co2 Se3 2.345(2) . ?
Co2 Se1 2.364(3) . ?
Co2 Co6 2.885(3) . ?
Co2 Co4 2.911(3) . ?
Co2 Co3 2.952(3) . ?
Co3 Se2 2.299(2) . ?
Co3 Se4 2.332(2) . ?
Co3 Se7 2.333(3) . ?
Co3 Se3 2.343(3) . ?
Co3 Co4 2.833(3) . ?
Co3 Co5 2.917(3) . ?
Co4 Se5 2.318(3) . ?
Co4 Se8 2.322(2) . ?
Co4 Se3 2.331(3) . ?
Co4 Se4 2.343(2) . ?
Co4 Co5 2.932(3) . ?
Co4 Co6 2.934(3) . ?
Co5 Se7 2.316(3) . ?
Co5 Se5 2.316(3) . ?
Co5 Se6 2.341(2) . ?
Co5 Se4 2.367(2) . ?
Co5 Co6 2.892(3) . ?
Co6 Se5 2.319(3) . ?
Co6 Se8 2.321(3) . ?
Co6 Se6 2.351(3) . ?
Co6 Se1 2.396(3) . ?
C251 C252 1.39 . ?
C251 C256 1.39 . ?
C252 C253 1.39 . ?
C252 H252 0.95 . ?
C253 C254 1.39 . ?
C253 H253 0.95 . ?
C254 C255 1.39 . ?
C254 C257 1.58(3) . ?
C255 C256 1.39 . ?
C255 H255 0.95 . ?
C256 H256 0.95 . ?
C257 H25A 0.98 . ?
C257 H25B 0.98 . ?
C257 H25C 0.98 . ?

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 P1 C7 106.3(7) . . ?
N1 P1 C1 105.5(7) . . ?
C7 P1 C1 107.2(6) . . ?
N1 P1 Co1 111.4(6) . . ?
C7 P1 Co1 115.0(4) . . ?
C1 P1 Co1 110.9(5) . . ?
C13 N1 P1 125.4(10) . . ?
C13 N1 Co7 118.7(9) . . ?
P1 N1 Co7 115.6(7) . . ?
C2 C1 C6 120 . . ?
C2 C1 P1 121.1(8) . . ?
C6 C1 P1 118.9(8) . . ?
C3 C2 C1 120 . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C4 C3 C2 120 . . ?
C4 C3 H3 120 . . ?
C2 C3 H3 120 . . ?
C5 C4 C3 120 . . ?
C5 C4 H4 120 . . ?
C3 C4 H4 120 . . ?
C4 C5 C6 120 . . ?
C4 C5 H5 120 . . ?
C6 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C8 C7 C12 120 . . ?
C8 C7 P1 120.7(8) . . ?
C12 C7 P1 119.3(8) . . ?
C9 C8 C7 120 . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
C8 C9 C10 120 . . ?
C8 C9 H9 120 . . ?
C10 C9 H9 120 . . ?
C11 C10 C9 120 . . ?
C11 C10 H10 120 . . ?
C9 C10 H10 120 . . ?
C12 C11 C10 120 . . ?
C12 C11 H11 120 . . ?
C10 C11 H11 120 . . ?
C11 C12 C7 120 . . ?
C11 C12 H12 120 . . ?
C7 C12 H12 120 . . ?
C14 C13 C18 120 . . ?
C14 C13 N1 121.4(11) . . ?
C18 C13 N1 118.6(11) . . ?
C15 C14 C13 120 . . ?
C15 C14 H14 120 . . ?
C13 C14 H14 120 . . ?
C14 C15 C16 120 . . ?
C14 C15 H15 120 . . ?
C16 C15 H15 120 . . ?
C15 C16 C17 120 . . ?
C15 C16 C19 120.5(13) . . ?
C17 C16 C19 119.3(13) . . ?
C16 C17 C18 120 . . ?
C16 C17 H17 120 . . ?
C18 C17 H17 120 . . ?
C17 C18 C13 120 . . ?
C17 C18 H18 120 . . ?
C13 C18 H18 120 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.3 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.6 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 P2 C26 105.0(7) . . ?
N2 P2 C20 105.2(6) . . ?
C26 P2 C20 104.7(7) . . ?
N2 P2 Co2 110.4(6) . . ?
C26 P2 Co2 116.1(5) . . ?
C20 P2 Co2 114.4(5) . . ?
C32 N2 P2 123.9(11) . . ?
C32 N2 Co7 117.5(9) . . ?
P2 N2 Co7 117.9(7) . . ?
C21 C20 C25 120 . . ?
C21 C20 P2 116.7(8) . . ?
C25 C20 P2 123.2(8) . . ?
C22 C21 C20 120 . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C23 C22 C21 120 . . ?
C23 C22 H22 120 . . ?
C21 C22 H22 120 . . ?
C22 C23 C24 120 . . ?
C22 C23 H23 120 . . ?
C24 C23 H23 120 . . ?
C23 C24 C25 120 . . ?
C23 C24 H24 120 . . ?
C25 C24 H24 120 . . ?
C24 C25 C20 120 . . ?
C24 C25 H25 120 . . ?
C20 C25 H25 120 . . ?
C27 C26 C31 120 . . ?
C27 C26 P2 118.1(11) . . ?
C31 C26 P2 121.9(11) . . ?
C28 C27 C26 120 . . ?
C28 C27 H27 120 . . ?
C26 C27 H27 120 . . ?
C27 C28 C29 120 . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C28 C29 C30 120 . . ?
C28 C29 H29 120 . . ?
C30 C29 H29 120 . . ?
C29 C30 C31 120 . . ?
C29 C30 H30 120 . . ?
C31 C30 H30 120 . . ?
C30 C31 C26 120 . . ?
C30 C31 H31 120 . . ?
C26 C31 H31 120 . . ?
C33 C32 C37 120 . . ?
C33 C32 N2 120.8(11) . . ?
C37 C32 N2 119.1(11) . . ?
C34 C33 C32 120 . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C33 C34 C35 120 . . ?
C33 C34 H34 120 . . ?
C35 C34 H34 120 . . ?
C36 C35 C34 120 . . ?
C36 C35 C38 117.7(12) . . ?
C34 C35 C38 122.1(12) . . ?
C37 C36 C35 120 . . ?
C37 C36 H36 120 . . ?
C35 C36 H36 120 . . ?
C36 C37 C32 120 . . ?
C36 C37 H37 120 . . ?
C32 C37 H37 120 . . ?
C35 C38 H38A 109.3 . . ?
C35 C38 H38B 109.3 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.8 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N3 P3 C39 104.0(6) . . ?
N3 P3 C45 106.8(6) . . ?
C39 P3 C45 109.1(6) . . ?
N3 P3 Co3 113.6(4) . . ?
C39 P3 Co3 113.0(4) . . ?
C45 P3 Co3 109.9(4) . . ?
C251 N3 P3 118.4(12) . . ?
C51 N3 P3 123.4(10) . . ?
C251 N3 Co8 125.5(11) . . ?
C51 N3 Co8 119.1(9) . . ?
P3 N3 Co8 115.6(6) . . ?
C40 C39 C44 120 . . ?
C40 C39 P3 123.4(9) . . ?
C44 C39 P3 115.8(9) . . ?
C39 C40 C41 120 . . ?
C39 C40 H40 120 . . ?
C41 C40 H40 120 . . ?
C42 C41 C40 120 . . ?
C42 C41 H41 120 . . ?
C40 C41 H41 120 . . ?
C41 C42 C43 120 . . ?
C41 C42 H42 120 . . ?
C43 C42 H42 120 . . ?
C42 C43 C44 120 . . ?
C42 C43 H43 120 . . ?
C44 C43 H43 120 . . ?
C43 C44 C39 120 . . ?
C43 C44 H44 120 . . ?
C39 C44 H44 120 . . ?
C46 C45 C50 120 . . ?
C46 C45 P3 119.5(8) . . ?
C50 C45 P3 120.1(8) . . ?
C45 C46 C47 120 . . ?
C45 C46 H46 120 . . ?
C47 C46 H46 120 . . ?
C46 C47 C48 120 . . ?
C46 C47 H47 120 . . ?
C48 C47 H47 120 . . ?
C49 C48 C47 120 . . ?
C49 C48 H48 120 . . ?
C47 C48 H48 120 . . ?
C50 C49 C48 120 . . ?
C50 C49 H49 120 . . ?
C48 C49 H49 120 . . ?
C49 C50 C45 120 . . ?
C49 C50 H50 120 . . ?
C45 C50 H50 120 . . ?
C52 C51 C56 120 . . ?
C52 C51 N3 117.7(12) . . ?
C56 C51 N3 122.0(12) . . ?
C51 C52 C53 120 . . ?
C51 C52 H52 120 . . ?
C53 C52 H52 120 . . ?
C54 C53 C52 120 . . ?
C54 C53 H53 120 . . ?
C52 C53 H53 120 . . ?
C55 C54 C53 120 . . ?
C55 C54 C57 118.8(17) . . ?
C53 C54 C57 121.2(17) . . ?
C54 C55 C56 120 . . ?
C54 C55 H55 120 . . ?
C56 C55 H55 120 . . ?
C55 C56 C51 120 . . ?
C55 C56 H56 120 . . ?
C51 C56 H56 120 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 P4 C64 107.8(5) . . ?
N4 P4 C58 106.0(5) . . ?
C64 P4 C58 105.5(5) . . ?
N4 P4 Co4 111.8(4) . . ?
C64 P4 Co4 113.5(4) . . ?
C58 P4 Co4 111.7(4) . . ?
C70 N4 P4 120.1(8) . . ?
C70 N4 Co8 121.4(7) . . ?
P4 N4 Co8 118.4(6) . . ?
C59 C58 C63 120 . . ?
C59 C58 P4 120.4(6) . . ?
C63 C58 P4 119.0(6) . . ?
C60 C59 C58 120 . . ?
C60 C59 H59 120 . . ?
C58 C59 H59 120 . . ?
C59 C60 C61 120 . . ?
C59 C60 H60 120 . . ?
C61 C60 H60 120 . . ?
C60 C61 C62 120 . . ?
C60 C61 H61 120 . . ?
C62 C61 H61 120 . . ?
C63 C62 C61 120 . . ?
C63 C62 H62 120 . . ?
C61 C62 H62 120 . . ?
C62 C63 C58 120 . . ?
C62 C63 H63 120 . . ?
C58 C63 H63 120 . . ?
C65 C64 C69 120 . . ?
C65 C64 P4 118.4(7) . . ?
C69 C64 P4 121.6(7) . . ?
C64 C65 C66 120 . . ?
C64 C65 H65 120 . . ?
C66 C65 H65 120 . . ?
C67 C66 C65 120 . . ?
C67 C66 H66 120 . . ?
C65 C66 H66 120 . . ?
C66 C67 C68 120 . . ?
C66 C67 H67 120 . . ?
C68 C67 H67 120 . . ?
C69 C68 C67 120 . . ?
C69 C68 H68 120 . . ?
C67 C68 H68 120 . . ?
C68 C69 C64 120 . . ?
C68 C69 H69 120 . . ?
C64 C69 H69 120 . . ?
C71 C70 C75 120 . . ?
C71 C70 N4 124.3(8) . . ?
C75 C70 N4 115.7(8) . . ?
C70 C71 C72 120 . . ?
C70 C71 H71 120 . . ?
C72 C71 H71 120 . . ?
C73 C72 C71 120 . . ?
C73 C72 H72 120 . . ?
C71 C72 H72 120 . . ?
C74 C73 C72 120 . . ?
C74 C73 C76 122.3(10) . . ?
C72 C73 C76 117.3(10) . . ?
C73 C74 C75 120 . . ?
C73 C74 H74 120 . . ?
C75 C74 H74 120 . . ?
C74 C75 C70 120 . . ?
C74 C75 H75 120 . . ?
C70 C75 H75 120 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N5 P5 C83 106.6(6) . . ?
N5 P5 C77 105.0(5) . . ?
C83 P5 C77 103.9(5) . . ?
N5 P5 Co5 112.3(4) . . ?
C83 P5 Co5 112.0(4) . . ?
C77 P5 Co5 116.2(4) . . ?
C89 N5 P5 122.6(8) . . ?
C89 N5 Co9 120.2(7) . . ?
P5 N5 Co9 116.6(6) . . ?
C78 C77 C82 120 . . ?
C78 C77 P5 120.6(7) . . ?
C82 C77 P5 119.2(7) . . ?
C77 C78 C79 120 . . ?
C77 C78 H78 120 . . ?
C79 C78 H78 120 . . ?
C78 C79 C80 120 . . ?
C78 C79 H79 120 . . ?
C80 C79 H79 120 . . ?
C79 C80 C81 120 . . ?
C79 C80 H80 120 . . ?
C81 C80 H80 120 . . ?
C82 C81 C80 120 . . ?
C82 C81 H81 120 . . ?
C80 C81 H81 120 . . ?
C81 C82 C77 120 . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 120 . . ?
C84 C83 P5 120.5(8) . . ?
C88 C83 P5 119.2(8) . . ?
C83 C84 C85 120 . . ?
C83 C84 H84 120 . . ?
C85 C84 H84 120 . . ?
C86 C85 C84 120 . . ?
C86 C85 H85 120 . . ?
C84 C85 H85 120 . . ?
C85 C86 C87 120 . . ?
C85 C86 H86 120 . . ?
C87 C86 H86 120 . . ?
C88 C87 C86 120 . . ?
C88 C87 H87 120 . . ?
C86 C87 H87 120 . . ?
C87 C88 C83 120 . . ?
C87 C88 H88 120 . . ?
C83 C88 H88 120 . . ?
C90 C89 C94 120 . . ?
C90 C89 N5 121.9(11) . . ?
C94 C89 N5 117.7(11) . . ?
C89 C90 C91 120 . . ?
C89 C90 H90 120 . . ?
C91 C90 H90 120 . . ?
C90 C91 C92 120 . . ?
C90 C91 H91 120 . . ?
C92 C91 H91 120 . . ?
C93 C92 C91 120 . . ?
C93 C92 C95 120.8(12) . . ?
C91 C92 C95 119.1(12) . . ?
C94 C93 C92 120 . . ?
C94 C93 H93 120 . . ?
C92 C93 H93 120 . . ?
C93 C94 C89 120 . . ?
C93 C94 H94 120 . . ?
C89 C94 H94 120 . . ?
C92 C95 H95A 109.5 . . ?
C92 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
N6 P6 C102 106.3(6) . . ?
N6 P6 C96 105.4(6) . . ?
C102 P6 C96 109.8(6) . . ?
N6 P6 Co6 109.8(4) . . ?
C102 P6 Co6 113.0(4) . . ?
C96 P6 Co6 112.1(5) . . ?
C108 N6 P6 123.5(9) . . ?
C108 N6 Co9 117.3(8) . . ?
P6 N6 Co9 118.6(6) . . ?
C97 C96 C101 120 . . ?
C97 C96 P6 120.0(8) . . ?
C101 C96 P6 119.9(8) . . ?
C98 C97 C96 120 . . ?
C98 C97 H97 120 . . ?
C96 C97 H97 120 . . ?
C97 C98 C99 120 . . ?
C97 C98 H98 120 . . ?
C99 C98 H98 120 . . ?
C100 C99 C98 120 . . ?
C100 C99 H99 120 . . ?
C98 C99 H99 120 . . ?
C99 C100 C101 120 . . ?
C99 C100 H100 120 . . ?
C101 C100 H100 120 . . ?
C100 C101 C96 120 . . ?
C100 C101 H101 120 . . ?
C96 C101 H101 120 . . ?
C103 C102 C107 120 . . ?
C103 C102 P6 119.8(8) . . ?
C107 C102 P6 119.4(8) . . ?
C102 C103 C104 120 . . ?
C102 C103 H103 120 . . ?
C104 C103 H103 120 . . ?
C105 C104 C103 120 . . ?
C105 C104 H104 120 . . ?
C103 C104 H104 120 . . ?
C104 C105 C106 120 . . ?
C104 C105 H105 120 . . ?
C106 C105 H105 120 . . ?
C107 C106 C105 120 . . ?
C107 C106 H106 120 . . ?
C105 C106 H106 120 . . ?
C106 C107 C102 120 . . ?
C106 C107 H107 120 . . ?
C102 C107 H107 120 . . ?
C109 C108 C113 120 . . ?
C109 C108 N6 123.1(10) . . ?
C113 C108 N6 116.8(10) . . ?
C110 C109 C108 120 . . ?
C110 C109 H109 120 . . ?
C108 C109 H109 120 . . ?
C109 C110 C111 120 . . ?
C109 C110 H110 120 . . ?
C111 C110 H110 120 . . ?
C110 C111 C112 120 . . ?
C110 C111 C114 123.4(12) . . ?
C112 C111 C114 116.6(12) . . ?
C113 C112 C111 120 . . ?
C113 C112 H112 120 . . ?
C111 C112 H112 120 . . ?
C112 C113 C108 120 . . ?
C112 C113 H113 120 . . ?
C108 C113 H113 120 . . ?
C111 C114 H11A 109.4 . . ?
C111 C114 H11B 109.4 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 109.6 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
N2 Co7 N1 143.7(6) . . ?
N2 Co7 N7 106.3(7) . . ?
N1 Co7 N7 101.4(7) . . ?
N2 Co7 Se1 93.7(4) . . ?
N1 Co7 Se1 105.5(4) . . ?
N7 Co7 Se1 97.3(5) . . ?
C119 N7 C115 113.6(14) . . ?
C119 N7 Co7 122.3(12) . . ?
C115 N7 Co7 123.7(13) . . ?
N7 C115 C116 123.8(17) . . ?
N7 C115 H115 118.1 . . ?
C116 C115 H115 118.1 . . ?
C117 C116 C115 120.3(16) . . ?
C117 C116 H116 119.9 . . ?
C115 C116 H116 119.9 . . ?
C116 C117 C118 118.6(15) . . ?
C116 C117 C120 122.6(16) . . ?
C118 C117 C120 118.6(16) . . ?
C117 C118 C119 115.8(16) . . ?
C117 C118 H118 122.1 . . ?
C119 C118 H118 122.1 . . ?
N7 C119 C118 127.2(17) . . ?
N7 C119 H119 116.4 . . ?
C118 C119 H119 116.4 . . ?
C120 C120 C117 126(2) 2_665 . ?
C120 C120 H120 116.8 2_665 . ?
C117 C120 H120 116.8 . . ?
N4 Co8 N3 146.8(5) . . ?
N4 Co8 N8 103.9(5) . . ?
N3 Co8 N8 101.8(5) . . ?
N4 Co8 Se4 98.8(3) . . ?
N3 Co8 Se4 98.3(3) . . ?
N8 Co8 Se4 97.6(4) . . ?
C121 N8 C125 109.7(13) . . ?
C121 N8 Co8 120.6(11) . . ?
C125 N8 Co8 129.3(12) . . ?
N8 C121 C122 128.1(16) . . ?
N8 C121 H121 115.9 . . ?
C122 C121 H121 115.9 . . ?
C123 C122 C121 120.6(16) . . ?
C123 C122 H122 119.7 . . ?
C121 C122 H122 119.7 . . ?
C122 C123 C124 114.9(14) . . ?
C122 C123 C126 121.4(16) . . ?
C124 C123 C126 122.3(15) . . ?
C123 C124 C125 118.7(16) . . ?
C123 C124 H124 120.7 . . ?
C125 C124 H124 120.7 . . ?
N8 C125 C124 126.4(17) . . ?
N8 C125 H125 116.8 . . ?
C124 C125 H125 116.8 . . ?
C126 C126 C123 124(2) 2_776 . ?
C126 C126 H126 118.1 2_776 . ?
C123 C126 H126 118.1 . . ?
N6 Co9 N5 142.5(5) . . ?
N6 Co9 N9 96.5(5) . . ?
N5 Co9 N9 110.6(5) . . ?
N6 Co9 Se6 104.4(3) . . ?
N5 Co9 Se6 96.7(3) . . ?
N9 Co9 Se6 99.0(4) . . ?
C127 N9 C131 114.4(14) . . ?
C127 N9 Co9 120.7(11) . . ?
C131 N9 Co9 124.2(12) . . ?
N9 C127 C128 124.4(15) . . ?
N9 C127 H127 117.8 . . ?
C128 C127 H127 117.8 . . ?
C129 C128 C127 117.6(16) . . ?
C129 C128 H128 121.2 . . ?
C127 C128 H128 121.2 . . ?
C128 C129 C130 121.3(16) . . ?
C128 C129 C132 120.0(17) . . ?
C130 C129 C132 118.0(16) . . ?
C129 C130 C131 114.8(17) . . ?
C129 C130 H130 122.6 . . ?
C131 C130 H130 122.6 . . ?
N9 C131 C130 125.9(16) . . ?
N9 C131 H131 117.1 . . ?
C130 C131 H131 117.1 . . ?
C132 C132 C129 125(3) 2_675 . ?
C132 C132 H132 117.6 2_675 . ?
C129 C132 H132 117.6 . . ?
P1 Co1 Se7 97.56(17) . . ?
P1 Co1 Se2 92.07(17) . . ?
Se7 Co1 Se2 87.35(9) . . ?
P1 Co1 Se1 103.83(17) . . ?
Se7 Co1 Se1 158.61(12) . . ?
Se2 Co1 Se1 91.47(11) . . ?
P1 Co1 Se6 111.02(18) . . ?
Se7 Co1 Se6 87.34(9) . . ?
Se2 Co1 Se6 156.79(12) . . ?
Se1 Co1 Se6 85.37(9) . . ?
P1 Co1 Co2 130.14(19) . . ?
Se7 Co1 Co2 111.99(9) . . ?
Se2 Co1 Co2 52.33(9) . . ?
Se1 Co1 Co2 52.58(8) . . ?
Se6 Co1 Co2 109.64(11) . . ?
P1 Co1 Co3 125.61(16) . . ?
Se7 Co1 Co3 51.25(7) . . ?
Se2 Co1 Co3 50.35(7) . . ?
Se1 Co1 Co3 113.28(11) . . ?
Se6 Co1 Co3 110.29(9) . . ?
Co2 Co1 Co3 61.29(7) . . ?
P1 Co1 Co5 138.37(19) . . ?
Se7 Co1 Co5 50.72(7) . . ?
Se2 Co1 Co5 109.72(9) . . ?
Se1 Co1 Co5 110.35(10) . . ?
Se6 Co1 Co5 50.99(7) . . ?
Co2 Co1 Co5 90.22(9) . . ?
Co3 Co1 Co5 59.76(7) . . ?
P1 Co1 Co6 145.37(16) . . ?
Se7 Co1 Co6 108.97(9) . . ?
Se2 Co1 Co6 110.56(11) . . ?
Se1 Co1 Co6 51.77(8) . . ?
Se6 Co1 Co6 50.62(8) . . ?
Co2 Co1 Co6 59.20(8) . . ?
Co3 Co1 Co6 88.81(8) . . ?
Co5 Co1 Co6 58.67(7) . . ?
P2 Co2 Se8 104.0(2) . . ?
P2 Co2 Se2 99.1(2) . . ?
Se8 Co2 Se2 156.84(12) . . ?
P2 Co2 Se3 111.69(17) . . ?
Se8 Co2 Se3 86.95(10) . . ?
Se2 Co2 Se3 83.84(9) . . ?
P2 Co2 Se1 87.36(15) . . ?
Se8 Co2 Se1 90.24(10) . . ?
Se2 Co2 Se1 91.55(12) . . ?
Se3 Co2 Se1 160.86(12) . . ?
P2 Co2 Co1 123.58(19) . . ?
Se8 Co2 Co1 113.15(11) . . ?
Se2 Co2 Co1 51.96(8) . . ?
Se3 Co2 Co1 111.18(10) . . ?
Se1 Co2 Co1 53.04(8) . . ?
P2 Co2 Co6 127.57(18) . . ?
Se8 Co2 Co6 51.57(8) . . ?
Se2 Co2 Co6 113.16(12) . . ?
Se3 Co2 Co6 111.88(10) . . ?
Se1 Co2 Co6 53.20(7) . . ?
Co1 Co2 Co6 62.22(8) . . ?
P2 Co2 Co4 145.1(2) . . ?
Se8 Co2 Co4 51.18(7) . . ?
Se2 Co2 Co4 107.54(9) . . ?
Se3 Co2 Co4 51.29(7) . . ?
Se1 Co2 Co4 113.54(10) . . ?
Co1 Co2 Co4 90.97(9) . . ?
Co6 Co2 Co4 60.83(7) . . ?
P2 Co2 Co3 141.0(2) . . ?
Se8 Co2 Co3 108.64(9) . . ?
Se2 Co2 Co3 49.86(7) . . ?
Se3 Co2 Co3 50.94(7) . . ?
Se1 Co2 Co3 112.78(11) . . ?
Co1 Co2 Co3 60.33(7) . . ?
Co6 Co2 Co3 89.94(8) . . ?
Co4 Co2 Co3 57.78(7) . . ?
P3 Co3 Se2 106.96(15) . . ?
P3 Co3 Se4 93.14(14) . . ?
Se2 Co3 Se4 159.89(11) . . ?
P3 Co3 Se7 105.04(16) . . ?
Se2 Co3 Se7 87.78(10) . . ?
Se4 Co3 Se7 87.70(9) . . ?
P3 Co3 Se3 97.42(16) . . ?
Se2 Co3 Se3 84.82(10) . . ?
Se4 Co3 Se3 92.00(10) . . ?
Se7 Co3 Se3 157.52(10) . . ?
P3 Co3 Co4 126.82(15) . . ?
Se2 Co3 Co4 111.40(10) . . ?
Se4 Co3 Co4 52.88(7) . . ?
Se7 Co3 Co4 111.76(10) . . ?
Se3 Co3 Co4 52.51(7) . . ?
P3 Co3 Co5 132.64(16) . . ?
Se2 Co3 Co5 111.11(9) . . ?
Se4 Co3 Co5 52.17(7) . . ?
Se7 Co3 Co5 50.87(7) . . ?
Se3 Co3 Co5 112.87(10) . . ?
Co4 Co3 Co5 61.29(7) . . ?
P3 Co3 Co1 141.78(16) . . ?
Se2 Co3 Co1 51.27(7) . . ?
Se4 Co3 Co1 112.14(9) . . ?
Se7 Co3 Co1 50.87(7) . . ?
Se3 Co3 Co1 109.30(9) . . ?
Co4 Co3 Co1 91.36(8) . . ?
Co5 Co3 Co1 60.23(7) . . ?
P3 Co3 Co2 137.86(17) . . ?
Se2 Co3 Co2 51.12(8) . . ?
Se4 Co3 Co2 112.46(10) . . ?
Se7 Co3 Co2 108.73(9) . . ?
Se3 Co3 Co2 51.00(7) . . ?
Co4 Co3 Co2 60.38(7) . . ?
Co5 Co3 Co2 88.82(8) . . ?
Co1 Co3 Co2 58.38(8) . . ?
P4 Co4 Se5 105.82(14) . . ?
P4 Co4 Se8 105.79(14) . . ?
Se5 Co4 Se8 86.63(8) . . ?
P4 Co4 Se3 95.81(14) . . ?
Se5 Co4 Se3 158.37(12) . . ?
Se8 Co4 Se3 87.31(9) . . ?
P4 Co4 Se4 94.98(13) . . ?
Se5 Co4 Se4 86.41(9) . . ?
Se8 Co4 Se4 159.19(12) . . ?
Se3 Co4 Se4 92.02(9) . . ?
P4 Co4 Co3 127.04(13) . . ?
Se5 Co4 Co3 111.26(10) . . ?
Se8 Co4 Co3 112.73(10) . . ?
Se3 Co4 Co3 52.88(8) . . ?
Se4 Co4 Co3 52.53(7) . . ?
P4 Co4 Co2 135.23(15) . . ?
Se5 Co4 Co2 109.55(9) . . ?
Se8 Co4 Co2 51.22(8) . . ?
Se3 Co4 Co2 51.71(7) . . ?
Se4 Co4 Co2 113.56(10) . . ?
Co3 Co4 Co2 61.84(8) . . ?
P4 Co4 Co5 134.92(14) . . ?
Se5 Co4 Co5 50.72(7) . . ?
Se8 Co4 Co5 109.56(9) . . ?
Se3 Co4 Co5 112.72(10) . . ?
Se4 Co4 Co5 51.87(7) . . ?
Co3 Co4 Co5 60.77(8) . . ?
Co2 Co4 Co5 89.33(9) . . ?
P4 Co4 Co6 141.63(14) . . ?
Se5 Co4 Co6 50.76(7) . . ?
Se8 Co4 Co6 50.79(7) . . ?
Se3 Co4 Co6 110.61(9) . . ?
Se4 Co4 Co6 110.78(10) . . ?
Co3 Co4 Co6 91.33(9) . . ?
Co2 Co4 Co6 59.14(7) . . ?
Co5 Co4 Co6 59.07(7) . . ?
P5 Co5 Se7 105.79(16) . . ?
P5 Co5 Se5 97.22(15) . . ?
Se7 Co5 Se5 156.94(12) . . ?
P5 Co5 Se6 89.58(13) . . ?
Se7 Co5 Se6 88.55(9) . . ?
Se5 Co5 Se6 90.16(9) . . ?
P5 Co5 Se4 110.93(13) . . ?
Se7 Co5 Se4 87.27(8) . . ?
Se5 Co5 Se4 85.90(9) . . ?
Se6 Co5 Se4 159.44(11) . . ?
P5 Co5 Co6 123.50(14) . . ?
Se7 Co5 Co6 111.78(9) . . ?
Se5 Co5 Co6 51.45(7) . . ?
Se6 Co5 Co6 52.10(7) . . ?
Se4 Co5 Co6 111.48(10) . . ?
P5 Co5 Co3 145.80(14) . . ?
Se7 Co5 Co3 51.39(7) . . ?
Se5 Co5 Co3 108.49(10) . . ?
Se6 Co5 Co3 111.95(9) . . ?
Se4 Co5 Co3 51.09(6) . . ?
Co6 Co5 Co3 90.50(8) . . ?
P5 Co5 Co1 130.00(15) . . ?
Se7 Co5 Co1 50.86(7) . . ?
Se5 Co5 Co1 111.95(9) . . ?
Se6 Co5 Co1 52.40(7) . . ?
Se4 Co5 Co1 110.85(9) . . ?
Co6 Co5 Co1 61.36(8) . . ?
Co3 Co5 Co1 60.01(7) . . ?
P5 Co5 Co4 139.14(16) . . ?
Se7 Co5 Co4 108.93(10) . . ?
Se5 Co5 Co4 50.78(7) . . ?
Se6 Co5 Co4 111.95(9) . . ?
Se4 Co5 Co4 51.14(7) . . ?
Co6 Co5 Co4 60.51(7) . . ?
Co3 Co5 Co4 57.93(7) . . ?
Co1 Co5 Co4 89.28(8) . . ?
P6 Co6 Se5 91.45(16) . . ?
P6 Co6 Se8 100.07(17) . . ?
Se5 Co6 Se8 86.62(10) . . ?
P6 Co6 Se6 101.79(17) . . ?
Se5 Co6 Se6 89.84(9) . . ?
Se8 Co6 Se6 157.93(11) . . ?
P6 Co6 Se1 110.24(16) . . ?
Se5 Co6 Se1 158.31(11) . . ?
Se8 Co6 Se1 89.50(10) . . ?
Se6 Co6 Se1 85.79(10) . . ?
P6 Co6 Co2 140.79(17) . . ?
Se5 Co6 Co2 110.39(9) . . ?
Se8 Co6 Co2 51.64(8) . . ?
Se6 Co6 Co2 110.12(11) . . ?
Se1 Co6 Co2 52.18(7) . . ?
P6 Co6 Co5 127.63(17) . . ?
Se5 Co6 Co5 51.35(7) . . ?
Se8 Co6 Co5 110.93(9) . . ?
Se6 Co6 Co5 51.80(7) . . ?
Se1 Co6 Co5 111.11(10) . . ?
Co2 Co6 Co5 90.64(8) . . ?
P6 Co6 Co4 127.33(17) . . ?
Se5 Co6 Co4 50.73(7) . . ?
Se8 Co6 Co4 50.81(7) . . ?
Se6 Co6 Co4 111.56(9) . . ?
Se1 Co6 Co4 111.73(10) . . ?
Co2 Co6 Co4 60.02(7) . . ?
Co5 Co6 Co4 60.42(7) . . ?
P6 Co6 Co1 143.57(17) . . ?
Se5 Co6 Co1 110.48(9) . . ?
Se8 Co6 Co1 109.62(10) . . ?
Se6 Co6 Co1 51.71(8) . . ?
Se1 Co6 Co1 51.24(8) . . ?
Co2 Co6 Co1 58.58(8) . . ?
Co5 Co6 Co1 59.97(7) . . ?
Co4 Co6 Co1 88.46(8) . . ?
Co2 Se1 Co1 74.38(9) . . ?
Co2 Se1 Co6 74.62(9) . . ?
Co1 Se1 Co6 76.99(9) . . ?
Co2 Se1 Co7 91.59(10) . . ?
Co1 Se1 Co7 85.40(11) . . ?
Co6 Se1 Co7 159.95(11) . . ?
Co3 Se2 Co1 78.38(9) . . ?
Co3 Se2 Co2 79.02(9) . . ?
Co1 Se2 Co2 75.71(10) . . ?
Co4 Se3 Co3 74.60(9) . . ?
Co4 Se3 Co2 76.99(9) . . ?
Co3 Se3 Co2 78.06(9) . . ?
Co3 Se4 Co4 74.59(8) . . ?
Co3 Se4 Co5 76.74(8) . . ?
Co4 Se4 Co5 76.99(8) . . ?
Co3 Se4 Co8 90.30(9) . . ?
Co4 Se4 Co8 89.85(9) . . ?
Co5 Se4 Co8 163.50(9) . . ?
Co5 Se5 Co4 78.50(9) . . ?
Co5 Se5 Co6 77.20(9) . . ?
Co4 Se5 Co6 78.51(9) . . ?
Co5 Se6 Co6 76.10(9) . . ?
Co5 Se6 Co1 76.61(8) . . ?
Co6 Se6 Co1 77.67(10) . . ?
Co5 Se6 Co9 91.37(8) . . ?
Co6 Se6 Co9 87.40(10) . . ?
Co1 Se6 Co9 162.65(11) . . ?
Co5 Se7 Co1 78.43(9) . . ?
Co5 Se7 Co3 77.74(9) . . ?
Co1 Se7 Co3 77.88(9) . . ?
Co6 Se8 Co4 78.39(9) . . ?
Co6 Se8 Co2 76.79(10) . . ?
Co4 Se8 Co2 77.60(9) . . ?
C252 C251 C256 120 . . ?
C252 C251 N3 113.9(16) . . ?
C256 C251 N3 125.2(16) . . ?
C251 C252 C253 120 . . ?
C251 C252 H252 120 . . ?
C253 C252 H252 120 . . ?
C254 C253 C252 120 . . ?
C254 C253 H253 120 . . ?
C252 C253 H253 120 . . ?
C253 C254 C255 120 . . ?
C253 C254 C257 121(3) . . ?
C255 C254 C257 119(3) . . ?
C254 C255 C256 120 . . ?
C254 C255 H255 120 . . ?
C256 C255 H255 120 . . ?
C255 C256 C251 120 . . ?
C255 C256 H256 120 . . ?
C251 C256 H256 120 . . ?
C254 C257 H25A 109.5 . . ?
C254 C257 H25B 109.5 . . ?
H25A C257 H25B 109.5 . . ?
C254 C257 H25C 109.5 . . ?
H25A C257 H25C 109.5 . . ?
H25B C257 H25C 109.5 . . ?


#----------------------------------------------------------------------------#
#                   SQUEEZE DETAILS                                          #
#----------------------------------------------------------------------------#

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2012111'
loop_
_audit_author_name
_audit_author_address
'Werner Kaminsky'
;University of Washington, Department of Chemistry
United States of America
;
_audit_update_record             
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;

_audit_creation_date             2019-04-19T11:39:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C129 H117 Co9 N9 P6 Se8'
_chemical_formula_sum            'C129 H117 Co9 N9 P6 Se8'
_chemical_formula_weight         3141.18

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   30.1353(8)
_cell_length_b                   15.1296(5)
_cell_length_c                   33.4288(10)
_cell_angle_alpha                90
_cell_angle_beta                 116.5790(10)
_cell_angle_gamma                90
_cell_volume                     13630.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9562
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      28.15
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6236

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    3.321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_T_max  0.746
_shelx_estimated_absorpt_T_min   0.636
_shelx_estimated_absorpt_T_max   0.754

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'APEX-II CCD'
_diffrn_orient_matrix_ub_11      -0.021345
_diffrn_orient_matrix_ub_12      -0.021369
_diffrn_orient_matrix_ub_13      -0.031108
_diffrn_orient_matrix_ub_21      -0.013656
_diffrn_orient_matrix_ub_22      0.061026
_diffrn_orient_matrix_ub_23      -0.00896
_diffrn_orient_matrix_ub_31      0.027117
_diffrn_orient_matrix_ub_32      0.01391
_diffrn_orient_matrix_ub_33      -0.008481
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_number            66442
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         1.362
_diffrn_reflns_theta_max         28.339
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.996
_reflns_Friedel_coverage         0
_reflns_number_total             33870
_reflns_number_gt                24832
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0293P)²+3.2635P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         33870
_refine_ls_number_parameters     1474
_refine_ls_number_restraints     75
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0341
_refine_ls_wR_factor_ref         0.0729
_refine_ls_wR_factor_gt          0.067
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.622
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.096

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.73001(10) 0.61555(18) 0.75021(10) 0.0185(6) Uani 1 1 d . . . . .
C2 C 0.71669(11) 0.64007(18) 0.70623(10) 0.0230(7) Uani 1 1 d . . . . .
H2 H 0.6853 0.6234 0.6831 0.028 Uiso 1 1 calc R U . . .
C3 C 0.74944(12) 0.68912(19) 0.69619(12) 0.0314(8) Uani 1 1 d . . . . .
H3 H 0.74 0.7069 0.6662 0.038 Uiso 1 1 calc R U . . .
C4 C 0.79594(12) 0.7123(2) 0.72967(12) 0.0327(8) Uani 1 1 d . . . . .
H4 H 0.8185 0.7443 0.7224 0.039 Uiso 1 1 calc R U . . .
C5 C 0.80907(11) 0.68881(19) 0.77314(12) 0.0290(8) Uani 1 1 d . . . . .
H5 H 0.8407 0.7051 0.7961 0.035 Uiso 1 1 calc R U . . .
C6 C 0.77623(10) 0.64108(19) 0.78368(11) 0.0244(7) Uani 1 1 d . . . . .
H6 H 0.7854 0.6258 0.8139 0.029 Uiso 1 1 calc R U . . .
C7 C 0.63154(9) 0.56897(17) 0.74288(9) 0.0168(6) Uani 1 1 d . . . . .
C8 C 0.59923(10) 0.51538(19) 0.75183(10) 0.0217(6) Uani 1 1 d . . . . .
H8 H 0.6109 0.4612 0.7674 0.026 Uiso 1 1 calc R U . . .
C9 C 0.55036(10) 0.5405(2) 0.73825(11) 0.0263(7) Uani 1 1 d . . . . .
H9 H 0.5289 0.5037 0.7447 0.032 Uiso 1 1 calc R U . . .
C10 C 0.53277(11) 0.6187(2) 0.71533(11) 0.0288(7) Uani 1 1 d . . . . .
H10 H 0.4994 0.6361 0.7064 0.035 Uiso 1 1 calc R U . . .
C11 C 0.56394(11) 0.6716(2) 0.70548(12) 0.0332(8) Uani 1 1 d . . . . .
H11 H 0.5517 0.7248 0.6891 0.04 Uiso 1 1 calc R U . . .
C12 C 0.61351(10) 0.64729(19) 0.71960(11) 0.0265(7) Uani 1 1 d . . . . .
H12 H 0.6349 0.6845 0.7132 0.032 Uiso 1 1 calc R U . . .
C13 C 0.69966(10) 0.59750(19) 0.84079(9) 0.0193(6) Uani 1 1 d . . . . .
C14 C 0.70063(11) 0.6880(2) 0.83335(10) 0.0266(7) Uani 1 1 d . . . . .
H14 H 0.7132 0.7087 0.8136 0.032 Uiso 1 1 calc R U . . .
C15 C 0.68340(12) 0.7484(2) 0.85449(11) 0.0314(8) Uani 1 1 d . . . . .
H15 H 0.6847 0.8097 0.849 0.038 Uiso 1 1 calc R U . . .
C16 C 0.66437(11) 0.7217(2) 0.88329(11) 0.0307(8) Uani 1 1 d . . . . .
C17 C 0.66365(12) 0.6321(2) 0.89078(11) 0.0337(8) Uani 1 1 d . . . . .
H17 H 0.6513 0.6119 0.9108 0.04 Uiso 1 1 calc R U . . .
C18 C 0.68044(11) 0.5710(2) 0.86982(10) 0.0269(7) Uani 1 1 d . . . . .
H18 H 0.6788 0.5098 0.8754 0.032 Uiso 1 1 calc R U . . .
C19 C 0.64269(15) 0.7879(2) 0.90414(13) 0.0532(11) Uani 1 1 d . . . . .
H19A H 0.6685 0.83 0.9226 0.08 Uiso 1 1 calc R U . . .
H19B H 0.6304 0.7564 0.9228 0.08 Uiso 1 1 calc R U . . .
H19C H 0.6152 0.8198 0.8804 0.08 Uiso 1 1 calc R U . . .
C20 C 0.85135(10) 0.2098(2) 0.89308(10) 0.0247(7) Uani 1 1 d . . . . .
C21 C 0.88751(11) 0.2690(3) 0.92032(11) 0.0411(9) Uani 1 1 d . . . . .
H21 H 0.8778 0.3252 0.9264 0.049 Uiso 1 1 calc R U . . .
C22 C 0.93751(13) 0.2475(3) 0.93877(13) 0.0620(13) Uani 1 1 d . . . . .
H22 H 0.9617 0.2888 0.9574 0.074 Uiso 1 1 calc R U . . .
C23 C 0.95211(14) 0.1668(4) 0.93018(14) 0.0682(15) Uani 1 1 d . . . . .
H23 H 0.9863 0.1516 0.9432 0.082 Uiso 1 1 calc R U . . .
C24 C 0.91673(14) 0.1074(3) 0.90246(13) 0.0524(11) Uani 1 1 d . . . . .
H24 H 0.9267 0.0515 0.8964 0.063 Uiso 1 1 calc R U . . .
C25 C 0.86684(12) 0.1294(2) 0.88356(11) 0.0350(8) Uani 1 1 d . . . . .
H25 H 0.8429 0.089 0.8638 0.042 Uiso 1 1 calc R U . . .
C26 C 0.75100(11) 0.1637(2) 0.88191(9) 0.0223(6) Uani 1 1 d . . . . .
C27 C 0.70726(10) 0.1933(2) 0.88222(9) 0.0258(7) Uani 1 1 d . . . . .
H27 H 0.6989 0.2542 0.8778 0.031 Uiso 1 1 calc R U . . .
C28 C 0.67586(12) 0.1341(3) 0.88898(10) 0.0360(9) Uani 1 1 d . . . . .
H28 H 0.6462 0.1551 0.889 0.043 Uiso 1 1 calc R U . . .
C29 C 0.68725(13) 0.0460(3) 0.89555(11) 0.0425(10) Uani 1 1 d . . . . .
H29 H 0.6655 0.0059 0.8999 0.051 Uiso 1 1 calc R U . . .
C30 C 0.73050(16) 0.0160(2) 0.89576(13) 0.0507(11) Uani 1 1 d . . . . .
H30 H 0.739 -0.0448 0.9009 0.061 Uiso 1 1 calc R U . . .
C31 C 0.76179(14) 0.0748(2) 0.88844(12) 0.0394(9) Uani 1 1 d . . . . .
H31 H 0.7911 0.0531 0.8879 0.047 Uiso 1 1 calc R U . . .
C32 C 0.79120(10) 0.3423(2) 0.93678(9) 0.0219(6) Uani 1 1 d . . . . .
C33 C 0.77577(11) 0.4179(2) 0.95111(10) 0.0292(7) Uani 1 1 d . . . . .
H33 H 0.7597 0.4639 0.9303 0.035 Uiso 1 1 calc R U . . .
C34 C 0.78329(12) 0.4274(2) 0.99498(11) 0.0358(8) Uani 1 1 d . . . . .
H34 H 0.7726 0.4799 1.0037 0.043 Uiso 1 1 calc R U . . .
C35 C 0.80620(11) 0.3611(2) 1.02654(11) 0.0355(8) Uani 1 1 d . . . . .
C36 C 0.82133(11) 0.2862(2) 1.01229(10) 0.0318(8) Uani 1 1 d . . . . .
H36 H 0.8373 0.2403 1.0332 0.038 Uiso 1 1 calc R U . . .
C37 C 0.81390(10) 0.2759(2) 0.96834(10) 0.0251(7) Uani 1 1 d . . . . .
H37 H 0.8244 0.2231 0.9598 0.03 Uiso 1 1 calc R U . . .
C38 C 0.81520(14) 0.3710(3) 1.07458(11) 0.0538(11) Uani 1 1 d . . . . .
H38A H 0.7993 0.3219 1.0824 0.081 Uiso 1 1 calc R U . . .
H38B H 0.8011 0.4271 1.0782 0.081 Uiso 1 1 calc R U . . .
H38C H 0.851 0.3702 1.0943 0.081 Uiso 1 1 calc R U . . .
C39 C 0.90335(10) 0.4212(2) 0.77094(11) 0.0280(7) Uani 1 1 d . . . . .
C40 C 0.93214(11) 0.4869(2) 0.76463(13) 0.0406(9) Uani 1 1 d . . . . .
H40 H 0.9257 0.5039 0.7352 0.049 Uiso 1 1 calc R U . . .
C41 C 0.97017(13) 0.5275(3) 0.80109(16) 0.0582(12) Uani 1 1 d . . . . .
H41 H 0.99 0.5716 0.7966 0.07 Uiso 1 1 calc R U . . .
C42 C 0.97915(13) 0.5036(3) 0.84406(16) 0.0624(13) Uani 1 1 d . . . . .
H42 H 1.0045 0.5324 0.8691 0.075 Uiso 1 1 calc R U . . .
C43 C 0.95108(12) 0.4375(3) 0.85057(13) 0.0521(11) Uani 1 1 d . . . . .
H43 H 0.9576 0.4202 0.88 0.063 Uiso 1 1 calc R U . . .
C44 C 0.91331(10) 0.3966(2) 0.81378(11) 0.0338(8) Uani 1 1 d . . . . .
H44 H 0.8942 0.3513 0.8183 0.041 Uiso 1 1 calc R U . . .
C45 C 0.84302(10) 0.42481(19) 0.67496(11) 0.0249(7) Uani 1 1 d . . . . .
C46 C 0.83319(11) 0.5150(2) 0.67423(12) 0.0335(8) Uani 1 1 d . . . . .
H46 H 0.8375 0.5439 0.7009 0.04 Uiso 1 1 calc R U . . .
C47 C 0.81712(14) 0.5631(2) 0.63457(14) 0.0492(10) Uani 1 1 d . . . . .
H47 H 0.8114 0.6248 0.6345 0.059 Uiso 1 1 calc R U . . .
C48 C 0.80956(16) 0.5212(3) 0.59550(14) 0.0578(12) Uani 1 1 d . . . . .
H48 H 0.799 0.5543 0.5686 0.069 Uiso 1 1 calc R U . . .
C49 C 0.81729(15) 0.4319(3) 0.59523(13) 0.0527(11) Uani 1 1 d . . . . .
H49 H 0.8112 0.403 0.568 0.063 Uiso 1 1 calc R U . . .
C50 C 0.83398(12) 0.3837(2) 0.63469(11) 0.0345(8) Uani 1 1 d . . . . .
H50 H 0.8393 0.3219 0.6342 0.041 Uiso 1 1 calc R U . . .
C51 C 0.93100(10) 0.26988(18) 0.71650(10) 0.0211(6) Uani 1 1 d . . . . .
C52 C 0.93183(11) 0.2438(2) 0.67705(11) 0.0297(7) Uani 1 1 d . . . . .
H52 H 0.9017 0.2274 0.6521 0.036 Uiso 1 1 calc R U . . .
C53 C 0.97651(13) 0.2411(2) 0.67327(13) 0.0406(9) Uani 1 1 d . . . . .
H53 H 0.976 0.2235 0.6458 0.049 Uiso 1 1 calc R U . . .
C54 C 1.02095(12) 0.2636(2) 0.70886(14) 0.0415(9) Uani 1 1 d . . . . .
C55 C 1.02028(11) 0.2907(2) 0.74777(13) 0.0391(9) Uani 1 1 d . . . . .
H55 H 1.0504 0.3084 0.7723 0.047 Uiso 1 1 calc R U . . .
C56 C 0.97648(10) 0.2929(2) 0.75226(11) 0.0292(7) Uani 1 1 d . . . . .
H56 H 0.9775 0.3103 0.78 0.035 Uiso 1 1 calc R U . . .
C57 C 1.06928(14) 0.2578(3) 0.70537(17) 0.0704(15) Uani 1 1 d . . . . .
H57A H 1.087 0.2039 0.7203 0.106 Uiso 1 1 calc R U . . .
H57B H 1.0898 0.3095 0.7198 0.106 Uiso 1 1 calc R U . . .
H57C H 1.0623 0.2561 0.6738 0.106 Uiso 1 1 calc R U . . .
C58 C 0.72689(10) -0.02487(18) 0.65918(10) 0.0191(6) Uani 1 1 d . . . . .
C59 C 0.71346(11) 0.0143(2) 0.61733(10) 0.0257(7) Uani 1 1 d . . . . .
H59 H 0.7307 0.065 0.615 0.031 Uiso 1 1 calc R U . . .
C60 C 0.67515(13) -0.0207(2) 0.57939(11) 0.0369(8) Uani 1 1 d . . . . .
H60 H 0.6663 0.0061 0.5511 0.044 Uiso 1 1 calc R U . . .
C61 C 0.64968(13) -0.0944(2) 0.58228(12) 0.0418(9) Uani 1 1 d . . . . .
H61 H 0.6229 -0.1173 0.5562 0.05 Uiso 1 1 calc R U . . .
C62 C 0.66310(12) -0.1346(2) 0.62283(11) 0.0342(8) Uani 1 1 d . . . . .
H62 H 0.6459 -0.1859 0.6246 0.041 Uiso 1 1 calc R U . . .
C63 C 0.70162(10) -0.10083(19) 0.66131(10) 0.0239(7) Uani 1 1 d . . . . .
H63 H 0.7108 -0.1295 0.6892 0.029 Uiso 1 1 calc R U . . .
C64 C 0.78832(10) -0.03898(17) 0.75669(10) 0.0186(6) Uani 1 1 d . . . . .
C65 C 0.83842(10) -0.05531(19) 0.78566(10) 0.0231(7) Uani 1 1 d . . . . .
H65 H 0.8634 -0.0366 0.7775 0.028 Uiso 1 1 calc R U . . .
C66 C 0.85183(12) -0.0986(2) 0.82616(11) 0.0324(8) Uani 1 1 d . . . . .
H66 H 0.8859 -0.1088 0.8457 0.039 Uiso 1 1 calc R U . . .
C67 C 0.81568(13) -0.1271(2) 0.83813(11) 0.0336(8) Uani 1 1 d . . . . .
H67 H 0.8249 -0.1566 0.8658 0.04 Uiso 1 1 calc R U . . .
C68 C 0.76630(12) -0.11242(19) 0.80965(11) 0.0282(7) Uani 1 1 d . . . . .
H68 H 0.7415 -0.133 0.8176 0.034 Uiso 1 1 calc R U . . .
C69 C 0.75252(11) -0.06799(18) 0.76965(10) 0.0221(6) Uani 1 1 d . . . . .
H69 H 0.7184 -0.057 0.7508 0.027 Uiso 1 1 calc R U . . .
C70 C 0.84169(9) -0.01804(18) 0.68226(9) 0.0188(6) Uani 1 1 d . . . . .
C71 C 0.87675(10) 0.0068(2) 0.66761(10) 0.0238(7) Uani 1 1 d . . . . .
H71 H 0.8875 0.0666 0.6709 0.029 Uiso 1 1 calc R U . . .
C72 C 0.89608(11) -0.0535(2) 0.64852(11) 0.0331(8) Uani 1 1 d . . . . .
H72 H 0.92 -0.0343 0.6391 0.04 Uiso 1 1 calc R U . . .
C73 C 0.88137(12) -0.1415(2) 0.64275(12) 0.0387(9) Uani 1 1 d . . . . .
C74 C 0.84742(12) -0.1667(2) 0.65795(13) 0.0437(10) Uani 1 1 d . . . . .
H74 H 0.8372 -0.2267 0.6552 0.052 Uiso 1 1 calc R U . . .
C75 C 0.82796(11) -0.1065(2) 0.67715(11) 0.0305(8) Uani 1 1 d . . . . .
H75 H 0.8046 -0.1262 0.6871 0.037 Uiso 1 1 calc R U . . .
C76 C 0.90330(15) -0.2088(3) 0.62285(15) 0.0657(13) Uani 1 1 d . . . . .
H76A H 0.8947 -0.2685 0.6283 0.099 Uiso 1 1 d R U . . .
H76B H 0.9395 -0.2024 0.6369 0.099 Uiso 1 1 d R U . . .
H76C H 0.8899 -0.1989 0.5906 0.099 Uiso 1 1 d R U . . .
C77 C 0.66612(9) 0.31208(19) 0.55373(9) 0.0195(6) Uani 1 1 d . . . . .
C78 C 0.67482(10) 0.2228(2) 0.54985(10) 0.0229(7) Uani 1 1 d . . . . .
H78 H 0.6684 0.1807 0.5677 0.027 Uiso 1 1 calc R U . . .
C79 C 0.69272(10) 0.1944(2) 0.52048(10) 0.0291(7) Uani 1 1 d . . . . .
H79 H 0.6984 0.1332 0.5182 0.035 Uiso 1 1 calc R U . . .
C80 C 0.70235(11) 0.2560(2) 0.49426(10) 0.0333(8) Uani 1 1 d . . . . .
H80 H 0.7142 0.237 0.4737 0.04 Uiso 1 1 calc R U . . .
C81 C 0.69461(11) 0.3444(2) 0.49832(11) 0.0348(8) Uani 1 1 d . . . . .
H81 H 0.7018 0.3864 0.4809 0.042 Uiso 1 1 calc R U . . .
C82 C 0.67629(10) 0.3731(2) 0.52762(10) 0.0275(7) Uani 1 1 d . . . . .
H82 H 0.6707 0.4343 0.5299 0.033 Uiso 1 1 calc R U . . .
C83 C 0.62592(10) 0.45958(18) 0.58168(9) 0.0191(6) Uani 1 1 d . . . . .
C84 C 0.66137(11) 0.5251(2) 0.59002(10) 0.0286(7) Uani 1 1 d . . . . .
H84 H 0.6952 0.5092 0.6 0.034 Uiso 1 1 calc R U . . .
C85 C 0.64751(14) 0.6142(2) 0.58378(11) 0.0396(9) Uani 1 1 d . . . . .
H85 H 0.6718 0.6587 0.5891 0.047 Uiso 1 1 calc R U . . .
C86 C 0.59863(14) 0.6374(2) 0.56991(11) 0.0414(9) Uani 1 1 d . . . . .
H86 H 0.5895 0.698 0.5663 0.05 Uiso 1 1 calc R U . . .
C87 C 0.56281(13) 0.5740(2) 0.56124(11) 0.0352(8) Uani 1 1 d . . . . .
H87 H 0.5291 0.5905 0.5515 0.042 Uiso 1 1 calc R U . . .
C88 C 0.57662(11) 0.4855(2) 0.56694(10) 0.0253(7) Uani 1 1 d . . . . .
H88 H 0.5519 0.4416 0.5606 0.03 Uiso 1 1 calc R U . . .
C89 C 0.56216(9) 0.25213(18) 0.53123(9) 0.0166(6) Uani 1 1 d . . . . .
C90 C 0.54669(10) 0.16383(19) 0.52522(10) 0.0228(7) Uani 1 1 d . . . . .
H90 H 0.5544 0.1276 0.5507 0.027 Uiso 1 1 calc R U . . .
C91 C 0.52039(11) 0.1282(2) 0.48286(10) 0.0267(7) Uani 1 1 d . . . . .
H91 H 0.5097 0.0685 0.48 0.032 Uiso 1 1 calc R U . . .
C92 C 0.50932(10) 0.1776(2) 0.44454(10) 0.0274(7) Uani 1 1 d . . . . .
C93 C 0.52651(10) 0.2641(2) 0.45060(10) 0.0259(7) Uani 1 1 d . . . . .
H93 H 0.5207 0.2987 0.425 0.031 Uiso 1 1 calc R U . . .
C94 C 0.55178(10) 0.3015(2) 0.49264(9) 0.0219(6) Uani 1 1 d . . . . .
H94 H 0.5622 0.3614 0.4953 0.026 Uiso 1 1 calc R U . . .
C95 C 0.48002(12) 0.1397(2) 0.39834(11) 0.0410(9) Uani 1 1 d . . . . .
H95A H 0.4988 0.1471 0.381 0.061 Uiso 1 1 calc R U . . .
H95B H 0.4482 0.1708 0.3833 0.061 Uiso 1 1 calc R U . . .
H95C H 0.474 0.0767 0.4006 0.061 Uiso 1 1 calc R U . . .
C96 C 0.55645(9) 0.23237(18) 0.73928(9) 0.0166(6) Uani 1 1 d . . . . .
C97 C 0.50940(10) 0.26891(18) 0.71464(10) 0.0201(6) Uani 1 1 d . . . . .
H97 H 0.4924 0.2595 0.6833 0.024 Uiso 1 1 calc R U . . .
C98 C 0.48715(10) 0.31885(19) 0.73551(11) 0.0249(7) Uani 1 1 d . . . . .
H98 H 0.4551 0.3432 0.7183 0.03 Uiso 1 1 calc R U . . .
C99 C 0.51145(11) 0.33342(19) 0.78134(11) 0.0261(7) Uani 1 1 d . . . . .
H99 H 0.4963 0.3682 0.7955 0.031 Uiso 1 1 calc R U . . .
C100 C 0.55781(10) 0.29697(19) 0.80619(10) 0.0232(7) Uani 1 1 d . . . . .
H100 H 0.5744 0.306 0.8376 0.028 Uiso 1 1 calc R U . . .
C101 C 0.58035(10) 0.24712(18) 0.78535(9) 0.0177(6) Uani 1 1 d . . . . .
H101 H 0.6124 0.2228 0.8027 0.021 Uiso 1 1 calc R U . . .
C102 C 0.59551(9) 0.06185(17) 0.72657(9) 0.0148(6) Uani 1 1 d . . . . .
C103 C 0.60330(9) 0.03522(18) 0.76888(9) 0.0181(6) Uani 1 1 d . . . . .
H103 H 0.5991 0.0765 0.7883 0.022 Uiso 1 1 calc R U . . .
C104 C 0.61712(10) -0.05102(19) 0.78314(10) 0.0204(6) Uani 1 1 d . . . . .
H104 H 0.6234 -0.0679 0.8126 0.024 Uiso 1 1 calc R U . . .
C105 C 0.62176(9) -0.11261(19) 0.75454(10) 0.0207(6) Uani 1 1 d . . . . .
H105 H 0.6306 -0.1719 0.7641 0.025 Uiso 1 1 calc R U . . .
C106 C 0.61338(9) -0.08711(18) 0.71205(10) 0.0200(6) Uani 1 1 d . . . . .
H106 H 0.6164 -0.1291 0.6923 0.024 Uiso 1 1 calc R U . . .
C107 C 0.60053(9) -0.00044(18) 0.69808(9) 0.0174(6) Uani 1 1 d . . . . .
H107 H 0.5951 0.0166 0.6689 0.021 Uiso 1 1 calc R U . . .
C108 C 0.50494(9) 0.12775(18) 0.63509(9) 0.0171(6) Uani 1 1 d . . . . .
C109 C 0.48060(10) 0.12161(19) 0.58853(10) 0.0214(6) Uani 1 1 d . . . . .
H109 H 0.4917 0.1572 0.5714 0.026 Uiso 1 1 calc R U . . .
C110 C 0.44091(10) 0.0656(2) 0.56653(10) 0.0260(7) Uani 1 1 d . . . . .
H110 H 0.4255 0.0635 0.5348 0.031 Uiso 1 1 calc R U . . .
C111 C 0.42297(10) 0.0121(2) 0.58986(10) 0.0246(7) Uani 1 1 d . . . . .
C112 C 0.44491(10) 0.02141(19) 0.63580(10) 0.0236(7) Uani 1 1 d . . . . .
H112 H 0.4324 -0.012 0.6526 0.028 Uiso 1 1 calc R U . . .
C113 C 0.48491(9) 0.07826(18) 0.65838(10) 0.0193(6) Uani 1 1 d . . . . .
H113 H 0.4987 0.0834 0.69 0.023 Uiso 1 1 calc R U . . .
C114 C 0.38142(11) -0.0527(2) 0.56617(12) 0.0373(8) Uani 1 1 d . . . . .
H11A H 0.3705 -0.077 0.5874 0.056 Uiso 1 1 calc R U . . .
H11B H 0.3932 -0.1008 0.5537 0.056 Uiso 1 1 calc R U . . .
H11C H 0.3536 -0.0225 0.5419 0.056 Uiso 1 1 calc R U . . .
N7 N 0.8304(9) 0.526(2) 0.9015(10) 0.0266(11) Uani 0.146(7) 1 d D U P A 1
C115 C 0.8756(9) 0.5076(17) 0.9069(10) 0.0464(13) Uani 0.146(7) 1 d D U P A 1
H115 H 0.8832 0.4519 0.8983 0.056 Uiso 0.146(7) 1 calc R U P A 1
C116 C 0.9122(10) 0.573(2) 0.9258(12) 0.0627(16) Uani 0.146(7) 1 d D U P A 1
H116 H 0.9414 0.5708 0.9217 0.075 Uiso 0.146(7) 1 calc R U P A 1
C117 C 0.9062(11) 0.641(2) 0.9500(13) 0.085(2) Uani 0.146(7) 1 d D U P A 1
H117 H 0.9324 0.6817 0.9652 0.102 Uiso 0.146(7) 1 calc R U P A 1
C118 C 0.8622(10) 0.6500(19) 0.9523(11) 0.0676(17) Uani 0.146(7) 1 d D U P A 1
H118 H 0.8567 0.6967 0.9685 0.081 Uiso 0.146(7) 1 calc R U P A 1
C119 C 0.8266(9) 0.5880(18) 0.9300(10) 0.0407(12) Uani 0.146(7) 1 d D U P A 1
H119 H 0.7976 0.5877 0.9343 0.049 Uiso 0.146(7) 1 calc R U P A 1
N27 N 0.82622(16) 0.5368(3) 0.89201(13) 0.0266(11) Uani 0.854(7) 1 d D . P A 2
C215 C 0.86700(16) 0.5365(3) 0.88772(14) 0.0464(13) Uani 0.854(7) 1 d D . P A 2
H215 H 0.8733 0.4875 0.8733 0.056 Uiso 0.854(7) 1 calc R U P A 2
C216 C 0.90187(18) 0.6042(4) 0.90312(18) 0.0627(16) Uani 0.854(7) 1 d D . P A 2
H216 H 0.9313 0.6017 0.8993 0.075 Uiso 0.854(7) 1 calc R U P A 2
C217 C 0.8925(2) 0.6750(4) 0.9240(2) 0.085(2) Uani 0.854(7) 1 d D . P A 2
H217 H 0.9158 0.7219 0.9348 0.102 Uiso 0.854(7) 1 calc R U P A 2
C218 C 0.8502(2) 0.6791(4) 0.92953(18) 0.0676(17) Uani 0.854(7) 1 d D . P A 2
H218 H 0.8432 0.7276 0.9439 0.081 Uiso 0.854(7) 1 calc R U P A 2
C219 C 0.81902(16) 0.6098(3) 0.91320(15) 0.0407(12) Uani 0.854(7) 1 d D . P A 2
H219 H 0.7894 0.6114 0.9166 0.049 Uiso 0.854(7) 1 calc R U P A 2
C120 C 0.95760(12) 0.0281(2) 0.77636(12) 0.0387(9) Uani 1 1 d . . . . .
H120 H 0.9425 -0.0065 0.7499 0.046 Uiso 1 1 calc R U . . .
C121 C 1.00345(13) 0.0026(3) 0.80883(13) 0.0477(10) Uani 1 1 d . . . . .
H121 H 1.019 -0.0486 0.8045 0.057 Uiso 1 1 calc R U . . .
C122 C 1.02657(14) 0.0504(3) 0.84707(15) 0.0542(11) Uani 1 1 d . . . . .
H122 H 1.0587 0.0346 0.8693 0.065 Uiso 1 1 calc R U . . .
C123 C 1.00228(13) 0.1212(3) 0.85244(13) 0.0460(10) Uani 1 1 d . . . . .
H123 H 1.017 0.1553 0.8791 0.055 Uiso 1 1 calc R U . . .
C124 C 0.95557(11) 0.1441(2) 0.81880(11) 0.0330(8) Uani 1 1 d . . . . .
H124 H 0.9391 0.1935 0.8235 0.04 Uiso 1 1 calc R U . . .
C125 C 0.49826(10) 0.4179(2) 0.62682(11) 0.0277(7) Uani 1 1 d D . . . .
H125 H 0.5234 0.419 0.6569 0.033 Uiso 1 1 calc R U . . .
C126 C 0.46035(12) 0.4793(2) 0.61342(12) 0.0401(9) Uani 1 1 d D . . . .
H126 H 0.4588 0.519 0.6348 0.048 Uiso 1 1 calc R U . . .
C127 C 0.42578(13) 0.4834(2) 0.57079(13) 0.0443(9) Uani 1 1 d D . . . .
H127 H 0.4001 0.5265 0.5614 0.053 Uiso 1 1 calc R U . . .
C128 C 0.42842(12) 0.4247(2) 0.54153(12) 0.0374(8) Uani 1 1 d D . . . .
H128 H 0.4051 0.4278 0.5109 0.045 Uiso 1 1 calc R U . . .
C129 C 0.46470(10) 0.3603(2) 0.55565(10) 0.0279(7) Uani 1 1 d D . . . .
H129 H 0.4645 0.3175 0.5348 0.034 Uiso 1 1 calc R U . . .
N1 N 0.71704(8) 0.53181(14) 0.82058(8) 0.0174(5) Uani 1 1 d . . . . .
N2 N 0.78299(8) 0.33966(15) 0.89148(8) 0.0189(5) Uani 1 1 d . . . . .
N3 N 0.88607(8) 0.26531(15) 0.72081(8) 0.0187(5) Uani 1 1 d . . . . .
N4 N 0.82417(8) 0.04654(15) 0.70198(8) 0.0176(5) Uani 1 1 d . . . . .
N5 N 0.58732(8) 0.28664(15) 0.57510(7) 0.0158(5) Uani 1 1 d . . . . .
N6 N 0.54739(7) 0.18253(14) 0.65500(7) 0.0146(5) Uani 1 1 d . . . . .
N8 N 0.93282(8) 0.09958(15) 0.78008(8) 0.0221(5) Uani 1 1 d . . . . .
N9 N 0.50079(8) 0.35639(15) 0.59870(8) 0.0184(5) Uani 1 1 d D . . . .
P1 P 0.69586(2) 0.53172(5) 0.76498(2) 0.01598(15) Uani 1 1 d . . . . .
P2 P 0.78622(3) 0.24561(5) 0.86663(2) 0.01777(16) Uani 1 1 d . . . . .
P3 P 0.85696(3) 0.35655(5) 0.72460(3) 0.01845(16) Uani 1 1 d . . . . .
P4 P 0.77264(2) 0.03434(5) 0.70841(2) 0.01565(15) Uani 1 1 d . . . . .
P5 P 0.64105(2) 0.34123(5) 0.59254(2) 0.01523(15) Uani 1 1 d . . . . .
P6 P 0.58744(2) 0.17828(5) 0.70919(2) 0.01386(14) Uani 1 1 d . . . . .
Co1 Co 0.70632(2) 0.40602(2) 0.74061(2) 0.01335(8) Uani 1 1 d . . . . .
Co2 Co 0.75886(2) 0.25939(2) 0.79587(2) 0.01368(8) Uani 1 1 d . . . . .
Co3 Co 0.79081(2) 0.32681(2) 0.73099(2) 0.01365(8) Uani 1 1 d . . . . .
Co4 Co 0.74429(2) 0.15888(2) 0.71732(2) 0.01295(8) Uani 1 1 d . . . . .
Co5 Co 0.68832(2) 0.30942(2) 0.66116(2) 0.01353(8) Uani 1 1 d . . . . .
Co6 Co 0.65799(2) 0.23529(2) 0.72276(2) 0.01280(8) Uani 1 1 d . . . . .
Co7 Co 0.76875(2) 0.44865(3) 0.85615(2) 0.02258(9) Uani 1 1 d . . . . .
Co8 Co 0.86502(2) 0.15029(2) 0.73155(2) 0.01885(9) Uani 1 1 d . . . . .
Co9 Co 0.56189(2) 0.27055(3) 0.61943(2) 0.01697(8) Uani 1 1 d . . . . .
Se1 Se 0.68438(2) 0.32174(2) 0.78694(2) 0.01383(6) Uani 1 1 d . . . . .
Se2 Se 0.78993(2) 0.40193(2) 0.79393(2) 0.01574(6) Uani 1 1 d . . . . .
Se3 Se 0.82130(2) 0.20019(2) 0.77676(2) 0.01448(6) Uani 1 1 d . . . . .
Se4 Se 0.76015(2) 0.24220(2) 0.66617(2) 0.01404(6) Uani 1 1 d . . . . .
Se5 Se 0.66196(2) 0.16356(2) 0.66259(2) 0.01367(6) Uani 1 1 d . . . . .
Se6 Se 0.62770(2) 0.36732(2) 0.68049(2) 0.01394(6) Uani 1 1 d . . . . .
Se7 Se 0.71408(2) 0.12992(2) 0.76906(2) 0.01367(6) Uani 1 1 d . . . . .
Se8 Se 0.73570(2) 0.43665(2) 0.68827(2) 0.01430(6) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C2 1.390(4) . ?
C1 C6 1.395(4) . ?
C1 P1 1.835(3) . ?
C2 C3 1.391(4) . ?
C2 H2 0.95 . ?
C3 C4 1.391(5) . ?
C3 H3 0.95 . ?
C4 C5 1.371(4) . ?
C4 H4 0.95 . ?
C5 C6 1.392(4) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C12 1.388(4) . ?
C7 C8 1.398(4) . ?
C7 P1 1.827(3) . ?
C8 C9 1.386(4) . ?
C8 H8 0.95 . ?
C9 C10 1.381(4) . ?
C9 H9 0.95 . ?
C10 C11 1.382(4) . ?
C10 H10 0.95 . ?
C11 C12 1.399(4) . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C18 1.393(4) . ?
C13 C14 1.395(4) . ?
C13 N1 1.427(3) . ?
C14 C15 1.390(4) . ?
C14 H14 0.95 . ?
C15 C16 1.383(4) . ?
C15 H15 0.95 . ?
C16 C17 1.380(4) . ?
C16 C19 1.524(4) . ?
C17 C18 1.385(4) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 C21 1.390(5) . ?
C20 C25 1.390(4) . ?
C20 P2 1.837(3) . ?
C21 C22 1.388(5) . ?
C21 H21 0.95 . ?
C22 C23 1.371(6) . ?
C22 H22 0.95 . ?
C23 C24 1.385(6) . ?
C23 H23 0.95 . ?
C24 C25 1.386(4) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C31 1.379(4) . ?
C26 C27 1.396(4) . ?
C26 P2 1.846(3) . ?
C27 C28 1.393(4) . ?
C27 H27 0.95 . ?
C28 C29 1.369(5) . ?
C28 H28 0.95 . ?
C29 C30 1.377(5) . ?
C29 H29 0.95 . ?
C30 C31 1.395(4) . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C37 1.394(4) . ?
C32 C33 1.397(4) . ?
C32 N2 1.422(3) . ?
C33 C34 1.387(4) . ?
C33 H33 0.95 . ?
C34 C35 1.394(5) . ?
C34 H34 0.95 . ?
C35 C36 1.383(5) . ?
C35 C38 1.512(4) . ?
C36 C37 1.392(4) . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C44 1.377(5) . ?
C39 C40 1.396(4) . ?
C39 P3 1.837(3) . ?
C40 C41 1.388(5) . ?
C40 H40 0.95 . ?
C41 C42 1.386(6) . ?
C41 H41 0.95 . ?
C42 C43 1.388(6) . ?
C42 H42 0.95 . ?
C43 C44 1.392(4) . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.394(4) . ?
C45 C50 1.395(4) . ?
C45 P3 1.836(3) . ?
C46 C47 1.395(5) . ?
C46 H46 0.95 . ?
C47 C48 1.376(5) . ?
C47 H47 0.95 . ?
C48 C49 1.372(5) . ?
C48 H48 0.95 . ?
C49 C50 1.390(5) . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.387(4) . ?
C51 C56 1.401(4) . ?
C51 N3 1.426(3) . ?
C52 C53 1.408(4) . ?
C52 H52 0.95 . ?
C53 C54 1.378(5) . ?
C53 H53 0.95 . ?
C54 C55 1.372(5) . ?
C54 C57 1.515(4) . ?
C55 C56 1.394(4) . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
C58 C63 1.398(4) . ?
C58 C59 1.402(4) . ?
C58 P4 1.839(3) . ?
C59 C60 1.382(4) . ?
C59 H59 0.95 . ?
C60 C61 1.381(5) . ?
C60 H60 0.95 . ?
C61 C62 1.371(5) . ?
C61 H61 0.95 . ?
C62 C63 1.388(4) . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C69 1.401(3) . ?
C64 C65 1.404(4) . ?
C64 P4 1.837(3) . ?
C65 C66 1.392(4) . ?
C65 H65 0.95 . ?
C66 C67 1.386(4) . ?
C66 H66 0.95 . ?
C67 C68 1.379(4) . ?
C67 H67 0.95 . ?
C68 C69 1.384(4) . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C75 1.388(4) . ?
C70 C71 1.400(3) . ?
C70 N4 1.407(3) . ?
C71 C72 1.383(4) . ?
C71 H71 0.95 . ?
C72 C73 1.389(5) . ?
C72 H72 0.95 . ?
C73 C74 1.384(4) . ?
C73 C76 1.520(4) . ?
C74 C75 1.386(4) . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
C77 C78 1.393(4) . ?
C77 C82 1.395(4) . ?
C77 P5 1.824(3) . ?
C78 C79 1.383(4) . ?
C78 H78 0.95 . ?
C79 C80 1.397(4) . ?
C79 H79 0.95 . ?
C80 C81 1.374(5) . ?
C80 H80 0.95 . ?
C81 C82 1.391(4) . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.390(4) . ?
C83 C88 1.396(4) . ?
C83 P5 1.843(3) . ?
C84 C85 1.400(4) . ?
C84 H84 0.95 . ?
C85 C86 1.377(5) . ?
C85 H85 0.95 . ?
C86 C87 1.374(5) . ?
C86 H86 0.95 . ?
C87 C88 1.390(4) . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.399(4) . ?
C89 C94 1.400(4) . ?
C89 N5 1.415(3) . ?
C90 C91 1.385(4) . ?
C90 H90 0.95 . ?
C91 C92 1.388(4) . ?
C91 H91 0.95 . ?
C92 C93 1.389(4) . ?
C92 C95 1.507(4) . ?
C93 C94 1.385(4) . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
C96 C101 1.396(4) . ?
C96 C97 1.396(4) . ?
C96 P6 1.842(2) . ?
C97 C98 1.388(4) . ?
C97 H97 0.95 . ?
C98 C99 1.388(4) . ?
C98 H98 0.95 . ?
C99 C100 1.381(4) . ?
C99 H99 0.95 . ?
C100 C101 1.393(4) . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.386(4) . ?
C102 C107 1.395(4) . ?
C102 P6 1.837(3) . ?
C103 C104 1.388(4) . ?
C103 H103 0.95 . ?
C104 C105 1.386(4) . ?
C104 H104 0.95 . ?
C105 C106 1.382(4) . ?
C105 H105 0.95 . ?
C106 C107 1.388(4) . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.396(4) . ?
C108 C113 1.397(4) . ?
C108 N6 1.416(3) . ?
C109 C110 1.379(4) . ?
C109 H109 0.95 . ?
C110 C111 1.390(4) . ?
C110 H110 0.95 . ?
C111 C112 1.381(4) . ?
C111 C114 1.506(4) . ?
C112 C113 1.396(4) . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
N7 C115 1.319(15) . ?
N7 C119 1.379(15) . ?
N7 Co7 2.14(2) . ?
C115 C116 1.409(15) . ?
C115 H115 0.95 . ?
C116 C117 1.365(16) . ?
C116 H116 0.95 . ?
C117 C118 1.367(16) . ?
C117 H117 0.95 . ?
C118 C119 1.368(15) . ?
C118 H118 0.95 . ?
C119 H119 0.95 . ?
N27 C215 1.299(5) . ?
N27 C219 1.381(5) . ?
N27 Co7 2.087(4) . ?
C215 C216 1.391(6) . ?
C215 H215 0.95 . ?
C216 C217 1.374(7) . ?
C216 H216 0.95 . ?
C217 C218 1.370(7) . ?
C217 H217 0.95 . ?
C218 C219 1.350(6) . ?
C218 H218 0.95 . ?
C219 H219 0.95 . ?
C120 N8 1.352(4) . ?
C120 C121 1.376(5) . ?
C120 H120 0.95 . ?
C121 C122 1.358(5) . ?
C121 H121 0.95 . ?
C122 C123 1.354(5) . ?
C122 H122 0.95 . ?
C123 C124 1.396(5) . ?
C123 H123 0.95 . ?
C124 N8 1.344(4) . ?
C124 H124 0.95 . ?
C125 N9 1.348(4) . ?
C125 C126 1.382(4) . ?
C125 H125 0.95 . ?
C126 C127 1.338(5) . ?
C126 H126 0.95 . ?
C127 C128 1.350(5) . ?
C127 H127 0.95 . ?
C128 C129 1.381(4) . ?
C128 H128 0.95 . ?
C129 N9 1.363(4) . ?
C129 H129 0.95 . ?
N1 P1 1.673(2) . ?
N1 Co7 1.941(2) . ?
N2 P2 1.672(2) . ?
N2 Co7 1.961(2) . ?
N3 P3 1.671(2) . ?
N3 Co8 1.940(2) . ?
N4 P4 1.671(2) . ?
N4 Co8 1.967(2) . ?
N5 P5 1.673(2) . ?
N5 Co9 1.964(2) . ?
N6 P6 1.669(2) . ?
N6 Co9 1.960(2) . ?
N8 Co8 2.104(2) . ?
N9 Co9 2.101(2) . ?
P1 Co1 2.1470(8) . ?
P2 Co2 2.1386(8) . ?
P3 Co3 2.1452(7) . ?
P4 Co4 2.1441(8) . ?
P5 Co5 2.1444(8) . ?
P6 Co6 2.1463(7) . ?
Co1 Se1 2.3192(4) . ?
Co1 Se8 2.3336(4) . ?
Co1 Se2 2.3474(4) . ?
Co1 Se6 2.3946(4) . ?
Co1 Co5 2.8625(5) . ?
Co1 Co2 2.8677(5) . ?
Co1 Co6 2.8934(5) . ?
Co1 Co3 2.9588(4) . ?
Co2 Se7 2.3192(4) . ?
Co2 Se1 2.3275(4) . ?
Co2 Se2 2.3634(4) . ?
Co2 Se3 2.4137(4) . ?
Co2 Co4 2.8927(5) . ?
Co2 Co3 2.9223(5) . ?
Co2 Co6 2.9494(5) . ?
Co3 Se4 2.3229(5) . ?
Co3 Se8 2.3318(4) . ?
Co3 Se3 2.3658(4) . ?
Co3 Se2 2.4019(4) . ?
Co3 Co4 2.8384(5) . ?
Co3 Co5 2.9337(5) . ?
Co4 Se7 2.3282(4) . ?
Co4 Se5 2.3336(4) . ?
Co4 Se4 2.3392(4) . ?
Co4 Se3 2.3660(4) . ?
Co4 Co6 2.9250(4) . ?
Co4 Co5 2.9534(5) . ?
Co5 Se8 2.3255(4) . ?
Co5 Se4 2.3288(4) . ?
Co5 Se5 2.3531(4) . ?
Co5 Se6 2.3617(4) . ?
Co5 Co6 2.8315(5) . ?
Co6 Se1 2.3280(4) . ?
Co6 Se5 2.3351(4) . ?
Co6 Se7 2.3353(4) . ?
Co6 Se6 2.3803(4) . ?
Co7 Se2 2.5341(4) . ?
Co8 Se3 2.5244(4) . ?
Co9 Se6 2.5730(5) . ?

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
C2 C1 C6 119.1(2) . . ?
C2 C1 P1 122.5(2) . . ?
C6 C1 P1 117.0(2) . . ?
C1 C2 C3 119.8(3) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 120.6(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.8(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C12 C7 C8 118.7(2) . . ?
C12 C7 P1 124.6(2) . . ?
C8 C7 P1 116.7(2) . . ?
C9 C8 C7 120.7(3) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.7(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 120.3(3) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C18 C13 C14 117.1(2) . . ?
C18 C13 N1 119.0(3) . . ?
C14 C13 N1 123.9(2) . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C14 121.8(3) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C17 C16 C15 117.3(3) . . ?
C17 C16 C19 121.2(3) . . ?
C15 C16 C19 121.5(3) . . ?
C16 C17 C18 121.6(3) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C17 C18 C13 121.4(3) . . ?
C17 C18 H18 119.3 . . ?
C13 C18 H18 119.3 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 118.0(3) . . ?
C21 C20 P2 118.7(2) . . ?
C25 C20 P2 122.9(2) . . ?
C22 C21 C20 121.1(4) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 119.6(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.2(4) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C20 120.8(4) . . ?
C24 C25 H25 119.6 . . ?
C20 C25 H25 119.6 . . ?
C31 C26 C27 117.9(3) . . ?
C31 C26 P2 125.1(2) . . ?
C27 C26 P2 116.7(2) . . ?
C28 C27 C26 120.5(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.8(3) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C28 C29 C30 119.3(3) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 H29 120.3 . . ?
C29 C30 C31 120.1(3) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C26 C31 C30 121.3(3) . . ?
C26 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C37 C32 C33 117.1(3) . . ?
C37 C32 N2 125.4(3) . . ?
C33 C32 N2 117.5(3) . . ?
C34 C33 C32 121.7(3) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C33 C34 C35 121.1(3) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C36 C35 C34 117.2(3) . . ?
C36 C35 C38 121.1(3) . . ?
C34 C35 C38 121.7(3) . . ?
C35 C36 C37 122.2(3) . . ?
C35 C36 H36 118.9 . . ?
C37 C36 H36 118.9 . . ?
C36 C37 C32 120.7(3) . . ?
C36 C37 H37 119.6 . . ?
C32 C37 H37 119.6 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C39 C40 119.3(3) . . ?
C44 C39 P3 117.6(2) . . ?
C40 C39 P3 122.8(3) . . ?
C41 C40 C39 120.5(4) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 119.7(4) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.1(4) . . ?
C41 C42 H42 120 . . ?
C43 C42 H42 120 . . ?
C42 C43 C44 119.7(4) . . ?
C42 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C39 C44 C43 120.7(3) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C46 C45 C50 118.1(3) . . ?
C46 C45 P3 121.8(2) . . ?
C50 C45 P3 119.2(2) . . ?
C45 C46 C47 120.5(3) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C48 C47 C46 120.1(3) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C47 120.2(4) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C48 C49 C50 120.1(4) . . ?
C48 C49 H49 120 . . ?
C50 C49 H49 120 . . ?
C49 C50 C45 120.9(3) . . ?
C49 C50 H50 119.5 . . ?
C45 C50 H50 119.5 . . ?
C52 C51 C56 117.1(2) . . ?
C52 C51 N3 120.3(3) . . ?
C56 C51 N3 122.4(3) . . ?
C51 C52 C53 121.2(3) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C54 C53 C52 120.9(3) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C55 C54 C53 118.1(3) . . ?
C55 C54 C57 120.8(3) . . ?
C53 C54 C57 121.0(3) . . ?
C54 C55 C56 121.7(3) . . ?
C54 C55 H55 119.2 . . ?
C56 C55 H55 119.2 . . ?
C55 C56 C51 120.9(3) . . ?
C55 C56 H56 119.5 . . ?
C51 C56 H56 119.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C63 C58 C59 118.5(3) . . ?
C63 C58 P4 124.2(2) . . ?
C59 C58 P4 117.0(2) . . ?
C60 C59 C58 120.2(3) . . ?
C60 C59 H59 119.9 . . ?
C58 C59 H59 119.9 . . ?
C61 C60 C59 120.5(3) . . ?
C61 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?
C62 C61 C60 120.0(3) . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C61 C62 C63 120.5(3) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 H62 119.7 . . ?
C62 C63 C58 120.3(3) . . ?
C62 C63 H63 119.9 . . ?
C58 C63 H63 119.9 . . ?
C69 C64 C65 118.1(3) . . ?
C69 C64 P4 122.0(2) . . ?
C65 C64 P4 119.1(2) . . ?
C66 C65 C64 120.6(3) . . ?
C66 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
C67 C66 C65 120.2(3) . . ?
C67 C66 H66 119.9 . . ?
C65 C66 H66 119.9 . . ?
C68 C67 C66 119.7(3) . . ?
C68 C67 H67 120.2 . . ?
C66 C67 H67 120.2 . . ?
C67 C68 C69 120.6(3) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C68 C69 C64 120.8(3) . . ?
C68 C69 H69 119.6 . . ?
C64 C69 H69 119.6 . . ?
C75 C70 C71 116.5(2) . . ?
C75 C70 N4 125.0(2) . . ?
C71 C70 N4 118.5(2) . . ?
C72 C71 C70 121.6(3) . . ?
C72 C71 H71 119.2 . . ?
C70 C71 H71 119.2 . . ?
C71 C72 C73 121.5(3) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C74 C73 C72 117.1(3) . . ?
C74 C73 C76 120.9(3) . . ?
C72 C73 C76 121.9(3) . . ?
C73 C74 C75 121.6(3) . . ?
C73 C74 H74 119.2 . . ?
C75 C74 H74 119.2 . . ?
C74 C75 C70 121.7(3) . . ?
C74 C75 H75 119.1 . . ?
C70 C75 H75 119.1 . . ?
C73 C76 H76A 109.4 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C78 C77 C82 118.7(2) . . ?
C78 C77 P5 117.1(2) . . ?
C82 C77 P5 124.2(2) . . ?
C79 C78 C77 121.1(3) . . ?
C79 C78 H78 119.4 . . ?
C77 C78 H78 119.4 . . ?
C78 C79 C80 119.6(3) . . ?
C78 C79 H79 120.2 . . ?
C80 C79 H79 120.2 . . ?
C81 C80 C79 119.7(3) . . ?
C81 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
C80 C81 C82 120.7(3) . . ?
C80 C81 H81 119.6 . . ?
C82 C81 H81 119.6 . . ?
C81 C82 C77 120.1(3) . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 118.1(3) . . ?
C84 C83 P5 123.5(2) . . ?
C88 C83 P5 118.2(2) . . ?
C83 C84 C85 120.4(3) . . ?
C83 C84 H84 119.8 . . ?
C85 C84 H84 119.8 . . ?
C86 C85 C84 119.9(3) . . ?
C86 C85 H85 120.1 . . ?
C84 C85 H85 120.1 . . ?
C87 C86 C85 121.0(3) . . ?
C87 C86 H86 119.5 . . ?
C85 C86 H86 119.5 . . ?
C86 C87 C88 119.0(3) . . ?
C86 C87 H87 120.5 . . ?
C88 C87 H87 120.5 . . ?
C87 C88 C83 121.7(3) . . ?
C87 C88 H88 119.2 . . ?
C83 C88 H88 119.2 . . ?
C90 C89 C94 117.0(3) . . ?
C90 C89 N5 119.4(2) . . ?
C94 C89 N5 123.6(3) . . ?
C91 C90 C89 121.3(3) . . ?
C91 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
C90 C91 C92 121.7(3) . . ?
C90 C91 H91 119.2 . . ?
C92 C91 H91 119.2 . . ?
C91 C92 C93 116.9(3) . . ?
C91 C92 C95 122.0(3) . . ?
C93 C92 C95 121.1(3) . . ?
C94 C93 C92 122.2(3) . . ?
C94 C93 H93 118.9 . . ?
C92 C93 H93 118.9 . . ?
C93 C94 C89 120.8(3) . . ?
C93 C94 H94 119.6 . . ?
C89 C94 H94 119.6 . . ?
C92 C95 H95A 109.5 . . ?
C92 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C101 C96 C97 118.3(2) . . ?
C101 C96 P6 122.4(2) . . ?
C97 C96 P6 118.9(2) . . ?
C98 C97 C96 120.7(3) . . ?
C98 C97 H97 119.7 . . ?
C96 C97 H97 119.7 . . ?
C97 C98 C99 120.4(3) . . ?
C97 C98 H98 119.8 . . ?
C99 C98 H98 119.8 . . ?
C100 C99 C98 119.5(3) . . ?
C100 C99 H99 120.2 . . ?
C98 C99 H99 120.2 . . ?
C99 C100 C101 120.3(3) . . ?
C99 C100 H100 119.9 . . ?
C101 C100 H100 119.9 . . ?
C100 C101 C96 120.8(3) . . ?
C100 C101 H101 119.6 . . ?
C96 C101 H101 119.6 . . ?
C103 C102 C107 118.7(2) . . ?
C103 C102 P6 122.7(2) . . ?
C107 C102 P6 118.1(2) . . ?
C102 C103 C104 120.8(3) . . ?
C102 C103 H103 119.6 . . ?
C104 C103 H103 119.6 . . ?
C105 C104 C103 120.2(3) . . ?
C105 C104 H104 119.9 . . ?
C103 C104 H104 119.9 . . ?
C106 C105 C104 119.5(3) . . ?
C106 C105 H105 120.2 . . ?
C104 C105 H105 120.2 . . ?
C105 C106 C107 120.3(3) . . ?
C105 C106 H106 119.8 . . ?
C107 C106 H106 119.8 . . ?
C106 C107 C102 120.5(3) . . ?
C106 C107 H107 119.8 . . ?
C102 C107 H107 119.8 . . ?
C109 C108 C113 116.3(2) . . ?
C109 C108 N6 118.5(2) . . ?
C113 C108 N6 125.2(3) . . ?
C110 C109 C108 122.2(3) . . ?
C110 C109 H109 118.9 . . ?
C108 C109 H109 118.9 . . ?
C109 C110 C111 121.4(3) . . ?
C109 C110 H110 119.3 . . ?
C111 C110 H110 119.3 . . ?
C112 C111 C110 116.9(3) . . ?
C112 C111 C114 121.5(3) . . ?
C110 C111 C114 121.6(3) . . ?
C111 C112 C113 122.1(3) . . ?
C111 C112 H112 118.9 . . ?
C113 C112 H112 118.9 . . ?
C112 C113 C108 120.8(3) . . ?
C112 C113 H113 119.6 . . ?
C108 C113 H113 119.6 . . ?
C111 C114 H11A 109.5 . . ?
C111 C114 H11B 109.5 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C115 N7 C119 116.6(19) . . ?
C115 N7 Co7 119.8(17) . . ?
C119 N7 Co7 123.1(17) . . ?
N7 C115 C116 117.7(19) . . ?
N7 C115 H115 121.1 . . ?
C116 C115 H115 121.1 . . ?
C117 C116 C115 120.8(18) . . ?
C117 C116 H116 119.6 . . ?
C115 C116 H116 119.6 . . ?
C116 C117 C118 119.7(19) . . ?
C116 C117 H117 120.2 . . ?
C118 C117 H117 120.2 . . ?
C117 C118 C119 116.4(18) . . ?
C117 C118 H118 121.8 . . ?
C119 C118 H118 121.8 . . ?
C118 C119 N7 123.8(19) . . ?
C118 C119 H119 118.1 . . ?
N7 C119 H119 118.1 . . ?
C215 N27 C219 115.6(4) . . ?
C215 N27 Co7 121.2(3) . . ?
C219 N27 Co7 121.7(3) . . ?
N27 C215 C216 123.5(4) . . ?
N27 C215 H215 118.2 . . ?
C216 C215 H215 118.2 . . ?
C217 C216 C215 117.9(5) . . ?
C217 C216 H216 121 . . ?
C215 C216 H216 121 . . ?
C218 C217 C216 121.3(6) . . ?
C218 C217 H217 119.3 . . ?
C216 C217 H217 119.3 . . ?
C219 C218 C217 115.5(5) . . ?
C219 C218 H218 122.2 . . ?
C217 C218 H218 122.2 . . ?
C218 C219 N27 126.1(4) . . ?
C218 C219 H219 117 . . ?
N27 C219 H219 117 . . ?
N8 C120 C121 123.5(3) . . ?
N8 C120 H120 118.2 . . ?
C121 C120 H120 118.2 . . ?
C122 C121 C120 120.3(4) . . ?
C122 C121 H121 119.8 . . ?
C120 C121 H121 119.8 . . ?
C123 C122 C121 117.8(4) . . ?
C123 C122 H122 121.1 . . ?
C121 C122 H122 121.1 . . ?
C122 C123 C124 120.0(4) . . ?
C122 C123 H123 120 . . ?
C124 C123 H123 120 . . ?
N8 C124 C123 123.2(3) . . ?
N8 C124 H124 118.4 . . ?
C123 C124 H124 118.4 . . ?
N9 C125 C126 122.3(3) . . ?
N9 C125 H125 118.9 . . ?
C126 C125 H125 118.9 . . ?
C127 C126 C125 120.9(3) . . ?
C127 C126 H126 119.6 . . ?
C125 C126 H126 119.6 . . ?
C126 C127 C128 118.1(3) . . ?
C126 C127 H127 121 . . ?
C128 C127 H127 121 . . ?
C127 C128 C129 120.8(3) . . ?
C127 C128 H128 119.6 . . ?
C129 C128 H128 119.6 . . ?
N9 C129 C128 121.8(3) . . ?
N9 C129 H129 119.1 . . ?
C128 C129 H129 119.1 . . ?
C13 N1 P1 119.22(19) . . ?
C13 N1 Co7 121.71(18) . . ?
P1 N1 Co7 118.86(12) . . ?
C32 N2 P2 122.1(2) . . ?
C32 N2 Co7 120.32(19) . . ?
P2 N2 Co7 117.52(12) . . ?
C51 N3 P3 121.48(18) . . ?
C51 N3 Co8 117.78(17) . . ?
P3 N3 Co8 120.06(11) . . ?
C70 N4 P4 123.29(18) . . ?
C70 N4 Co8 120.54(16) . . ?
P4 N4 Co8 115.62(12) . . ?
C89 N5 P5 121.98(16) . . ?
C89 N5 Co9 121.80(16) . . ?
P5 N5 Co9 116.20(12) . . ?
C108 N6 P6 123.38(18) . . ?
C108 N6 Co9 120.81(17) . . ?
P6 N6 Co9 115.80(11) . . ?
C124 N8 C120 115.2(3) . . ?
C124 N8 Co8 117.44(19) . . ?
C120 N8 Co8 127.4(2) . . ?
C125 N9 C129 116.0(2) . . ?
C125 N9 Co9 120.72(19) . . ?
C129 N9 Co9 122.86(19) . . ?
N1 P1 C7 104.90(11) . . ?
N1 P1 C1 108.49(12) . . ?
C7 P1 C1 107.42(12) . . ?
N1 P1 Co1 111.99(8) . . ?
C7 P1 Co1 115.41(9) . . ?
C1 P1 Co1 108.36(8) . . ?
N2 P2 C20 107.40(13) . . ?
N2 P2 C26 105.38(12) . . ?
C20 P2 C26 106.96(14) . . ?
N2 P2 Co2 112.78(9) . . ?
C20 P2 Co2 111.17(9) . . ?
C26 P2 Co2 112.75(9) . . ?
N3 P3 C45 108.17(12) . . ?
N3 P3 C39 106.05(12) . . ?
C45 P3 C39 104.03(15) . . ?
N3 P3 Co3 112.16(8) . . ?
C45 P3 Co3 111.15(9) . . ?
C39 P3 Co3 114.73(9) . . ?
N4 P4 C64 106.93(12) . . ?
N4 P4 C58 107.86(11) . . ?
C64 P4 C58 106.69(13) . . ?
N4 P4 Co4 111.84(8) . . ?
C64 P4 Co4 111.74(9) . . ?
C58 P4 Co4 111.51(9) . . ?
N5 P5 C77 106.08(12) . . ?
N5 P5 C83 107.18(12) . . ?
C77 P5 C83 103.85(13) . . ?
N5 P5 Co5 109.77(8) . . ?
C77 P5 Co5 114.73(9) . . ?
C83 P5 Co5 114.59(9) . . ?
N6 P6 C102 108.02(12) . . ?
N6 P6 C96 106.17(11) . . ?
C102 P6 C96 106.32(12) . . ?
N6 P6 Co6 112.38(8) . . ?
C102 P6 Co6 109.88(8) . . ?
C96 P6 Co6 113.72(9) . . ?
P1 Co1 Se1 95.71(2) . . ?
P1 Co1 Se8 106.14(2) . . ?
Se1 Co1 Se8 157.984(19) . . ?
P1 Co1 Se2 91.44(2) . . ?
Se1 Co1 Se2 90.472(16) . . ?
Se8 Co1 Se2 86.342(14) . . ?
P1 Co1 Se6 106.08(2) . . ?
Se1 Co1 Se6 87.444(14) . . ?
Se8 Co1 Se6 89.091(15) . . ?
Se2 Co1 Se6 162.480(19) . . ?
P1 Co1 Co5 143.63(3) . . ?
Se1 Co1 Co5 110.278(16) . . ?
Se8 Co1 Co5 51.963(12) . . ?
Se2 Co1 Co5 112.616(15) . . ?
Se6 Co1 Co5 52.475(11) . . ?
P1 Co1 Co2 124.98(3) . . ?
Se1 Co1 Co2 52.024(11) . . ?
Se8 Co1 Co2 110.565(15) . . ?
Se2 Co1 Co2 52.755(12) . . ?
Se6 Co1 Co2 113.909(16) . . ?
Co5 Co1 Co2 91.347(14) . . ?
P1 Co1 Co6 136.32(2) . . ?
Se1 Co1 Co6 51.629(12) . . ?
Se8 Co1 Co6 110.337(16) . . ?
Se2 Co1 Co6 113.785(16) . . ?
Se6 Co1 Co6 52.477(12) . . ?
Co5 Co1 Co6 58.931(12) . . ?
Co2 Co1 Co6 61.584(12) . . ?
P1 Co1 Co3 132.81(2) . . ?
Se1 Co1 Co3 111.482(16) . . ?
Se8 Co1 Co3 50.611(11) . . ?
Se2 Co1 Co3 52.295(11) . . ?
Se6 Co1 Co3 112.716(15) . . ?
Co5 Co1 Co3 60.496(12) . . ?
Co2 Co1 Co3 60.180(11) . . ?
Co6 Co1 Co3 89.672(13) . . ?
P2 Co2 Se7 102.40(2) . . ?
P2 Co2 Se1 93.08(2) . . ?
Se7 Co2 Se1 86.087(14) . . ?
P2 Co2 Se2 99.09(2) . . ?
Se7 Co2 Se2 158.31(2) . . ?
Se1 Co2 Se2 89.871(15) . . ?
P2 Co2 Se3 107.23(2) . . ?
Se7 Co2 Se3 88.394(14) . . ?
Se1 Co2 Se3 159.66(2) . . ?
Se2 Co2 Se3 88.060(14) . . ?
P2 Co2 Co1 128.06(3) . . ?
Se7 Co2 Co1 110.266(16) . . ?
Se1 Co2 Co1 51.761(11) . . ?
Se2 Co2 Co1 52.247(12) . . ?
Se3 Co2 Co1 112.809(15) . . ?
P2 Co2 Co4 141.22(3) . . ?
Se7 Co2 Co4 51.646(11) . . ?
Se1 Co2 Co4 110.522(16) . . ?
Se2 Co2 Co4 110.850(15) . . ?
Se3 Co2 Co4 52.007(11) . . ?
Co1 Co2 Co4 90.348(15) . . ?
P2 Co2 Co3 139.73(2) . . ?
Se7 Co2 Co3 109.633(16) . . ?
Se1 Co2 Co3 112.483(16) . . ?
Se2 Co2 Co3 52.776(11) . . ?
Se3 Co2 Co3 51.568(11) . . ?
Co1 Co2 Co3 61.456(12) . . ?
Co4 Co2 Co3 58.430(12) . . ?
P2 Co2 Co6 130.45(2) . . ?
Se7 Co2 Co6 50.922(12) . . ?
Se1 Co2 Co6 50.697(12) . . ?
Se2 Co2 Co6 111.353(16) . . ?
Se3 Co2 Co6 111.793(16) . . ?
Co1 Co2 Co6 59.637(12) . . ?
Co4 Co2 Co6 60.080(12) . . ?
Co3 Co2 Co6 89.304(14) . . ?
P3 Co3 Se4 91.27(2) . . ?
P3 Co3 Se8 103.20(3) . . ?
Se4 Co3 Se8 86.812(16) . . ?
P3 Co3 Se3 97.18(2) . . ?
Se4 Co3 Se3 91.964(16) . . ?
Se8 Co3 Se3 159.599(17) . . ?
P3 Co3 Se2 111.28(3) . . ?
Se4 Co3 Se2 157.240(17) . . ?
Se8 Co3 Se2 85.137(14) . . ?
Se3 Co3 Se2 88.281(15) . . ?
P3 Co3 Co4 125.86(2) . . ?
Se4 Co3 Co4 52.759(12) . . ?
Se8 Co3 Co4 111.974(16) . . ?
Se3 Co3 Co4 53.144(12) . . ?
Se2 Co3 Co4 111.488(15) . . ?
P3 Co3 Co2 140.94(3) . . ?
Se4 Co3 Co2 111.978(16) . . ?
Se8 Co3 Co2 108.810(14) . . ?
Se3 Co3 Co2 53.055(11) . . ?
Se2 Co3 Co2 51.582(11) . . ?
Co4 Co3 Co2 60.265(12) . . ?
P3 Co3 Co5 129.34(3) . . ?
Se4 Co3 Co5 50.990(11) . . ?
Se8 Co3 Co5 50.861(12) . . ?
Se3 Co3 Co5 114.071(16) . . ?
Se2 Co3 Co5 108.606(14) . . ?
Co4 Co3 Co5 61.525(12) . . ?
Co2 Co3 Co5 88.856(13) . . ?
P3 Co3 Co1 143.99(3) . . ?
Se4 Co3 Co1 108.784(15) . . ?
Se8 Co3 Co1 50.666(11) . . ?
Se3 Co3 Co1 111.208(15) . . ?
Se2 Co3 Co1 50.642(11) . . ?
Co4 Co3 Co1 89.595(13) . . ?
Co2 Co3 Co1 58.363(11) . . ?
Co5 Co3 Co1 58.127(11) . . ?
P4 Co4 Se7 104.50(2) . . ?
P4 Co4 Se5 105.52(3) . . ?
Se7 Co4 Se5 87.495(14) . . ?
P4 Co4 Se4 98.48(2) . . ?
Se7 Co4 Se4 156.933(19) . . ?
Se5 Co4 Se4 84.483(15) . . ?
P4 Co4 Se3 92.68(2) . . ?
Se7 Co4 Se3 89.336(15) . . ?
Se5 Co4 Se3 161.742(19) . . ?
Se4 Co4 Se3 91.551(15) . . ?
P4 Co4 Co3 127.60(2) . . ?
Se7 Co4 Co3 112.209(16) . . ?
Se5 Co4 Co3 111.987(16) . . ?
Se4 Co4 Co3 52.236(12) . . ?
Se3 Co4 Co3 53.137(12) . . ?
P4 Co4 Co2 132.85(3) . . ?
Se7 Co4 Co2 51.366(11) . . ?
Se5 Co4 Co2 111.845(15) . . ?
Se4 Co4 Co2 112.488(16) . . ?
Se3 Co4 Co2 53.512(11) . . ?
Co3 Co4 Co2 61.305(12) . . ?
P4 Co4 Co6 140.95(2) . . ?
Se7 Co4 Co6 51.263(11) . . ?
Se5 Co4 Co6 51.230(11) . . ?
Se4 Co4 Co6 108.094(16) . . ?
Se3 Co4 Co6 114.124(16) . . ?
Co3 Co4 Co6 91.439(14) . . ?
Co2 Co4 Co6 60.920(12) . . ?
P4 Co4 Co5 137.65(3) . . ?
Se7 Co4 Co5 108.390(14) . . ?
Se5 Co4 Co5 51.231(12) . . ?
Se4 Co4 Co5 50.594(11) . . ?
Se3 Co4 Co5 113.374(16) . . ?
Co3 Co4 Co5 60.826(12) . . ?
Co2 Co4 Co5 89.038(14) . . ?
Co6 Co4 Co5 57.587(11) . . ?
P5 Co5 Se8 103.25(2) . . ?
P5 Co5 Se4 109.04(2) . . ?
Se8 Co5 Se4 86.822(14) . . ?
P5 Co5 Se5 99.41(2) . . ?
Se8 Co5 Se5 157.28(2) . . ?
Se4 Co5 Se5 84.283(14) . . ?
P5 Co5 Se6 89.11(2) . . ?
Se8 Co5 Se6 90.090(15) . . ?
Se4 Co5 Se6 161.83(2) . . ?
Se5 Co5 Se6 91.882(14) . . ?
P5 Co5 Co6 126.21(2) . . ?
Se8 Co5 Co6 112.719(16) . . ?
Se4 Co5 Co6 111.519(16) . . ?
Se5 Co5 Co6 52.557(11) . . ?
Se6 Co5 Co6 53.640(11) . . ?
P5 Co5 Co1 129.58(2) . . ?
Se8 Co5 Co1 52.221(11) . . ?
Se4 Co5 Co1 111.840(16) . . ?
Se5 Co5 Co1 112.679(16) . . ?
Se6 Co5 Co1 53.526(11) . . ?
Co6 Co5 Co1 61.079(12) . . ?
P5 Co5 Co3 142.19(2) . . ?
Se8 Co5 Co3 51.052(12) . . ?
Se4 Co5 Co3 50.812(12) . . ?
Se5 Co5 Co3 108.228(16) . . ?
Se6 Co5 Co3 114.639(16) . . ?
Co6 Co5 Co3 91.398(14) . . ?
Co1 Co5 Co3 61.377(12) . . ?
P5 Co5 Co4 140.37(3) . . ?
Se8 Co5 Co4 108.313(16) . . ?
Se4 Co5 Co4 50.909(11) . . ?
Se5 Co5 Co4 50.646(11) . . ?
Se6 Co5 Co4 113.816(15) . . ?
Co6 Co5 Co4 60.703(12) . . ?
Co1 Co5 Co4 89.240(14) . . ?
Co3 Co5 Co4 57.649(12) . . ?
P6 Co6 Se1 108.55(2) . . ?
P6 Co6 Se5 93.37(2) . . ?
Se1 Co6 Se5 157.957(17) . . ?
P6 Co6 Se7 102.74(2) . . ?
Se1 Co6 Se7 85.709(15) . . ?
Se5 Co6 Se7 87.295(15) . . ?
P6 Co6 Se6 97.55(2) . . ?
Se1 Co6 Se6 87.580(15) . . ?
Se5 Co6 Se6 91.861(15) . . ?
Se7 Co6 Se6 159.708(18) . . ?
P6 Co6 Co5 128.10(3) . . ?
Se1 Co6 Co5 111.061(16) . . ?
Se5 Co6 Co5 53.136(12) . . ?
Se7 Co6 Co5 112.267(15) . . ?
Se6 Co6 Co5 53.036(11) . . ?
P6 Co6 Co1 139.64(2) . . ?
Se1 Co6 Co1 51.356(12) . . ?
Se5 Co6 Co1 112.175(15) . . ?
Se7 Co6 Co1 108.930(16) . . ?
Se6 Co6 Co1 52.927(12) . . ?
Co5 Co6 Co1 59.990(12) . . ?
P6 Co6 Co4 130.71(2) . . ?
Se1 Co6 Co4 109.433(15) . . ?
Se5 Co6 Co4 51.185(11) . . ?
Se7 Co6 Co4 51.048(11) . . ?
Se6 Co6 Co4 114.216(15) . . ?
Co5 Co6 Co4 61.710(12) . . ?
Co1 Co6 Co4 89.204(13) . . ?
P6 Co6 Co2 141.36(3) . . ?
Se1 Co6 Co2 50.683(11) . . ?
Se5 Co6 Co2 109.889(14) . . ?
Se7 Co6 Co2 50.439(12) . . ?
Se6 Co6 Co2 111.558(16) . . ?
Co5 Co6 Co2 90.301(13) . . ?
Co1 Co6 Co2 58.778(12) . . ?
Co4 Co6 Co2 59.000(12) . . ?
N1 Co7 N2 144.45(9) . . ?
N1 Co7 N27 99.81(14) . . ?
N2 Co7 N27 106.82(14) . . ?
N1 Co7 N7 106.5(9) . . ?
N2 Co7 N7 98.4(10) . . ?
N1 Co7 Se2 96.08(6) . . ?
N2 Co7 Se2 101.08(6) . . ?
N27 Co7 Se2 101.57(12) . . ?
N7 Co7 Se2 105.9(7) . . ?
N3 Co8 N4 143.70(10) . . ?
N3 Co8 N8 100.64(9) . . ?
N4 Co8 N8 105.66(9) . . ?
N3 Co8 Se3 98.28(6) . . ?
N4 Co8 Se3 99.36(6) . . ?
N8 Co8 Se3 103.55(6) . . ?
N6 Co9 N5 144.08(9) . . ?
N6 Co9 N9 102.69(8) . . ?
N5 Co9 N9 104.75(9) . . ?
N6 Co9 Se6 101.97(7) . . ?
N5 Co9 Se6 96.06(7) . . ?
N9 Co9 Se6 99.24(6) . . ?
Co1 Se1 Co2 76.215(14) . . ?
Co1 Se1 Co6 77.015(15) . . ?
Co2 Se1 Co6 78.620(14) . . ?
Co1 Se2 Co2 74.998(14) . . ?
Co1 Se2 Co3 77.062(14) . . ?
Co2 Se2 Co3 75.642(14) . . ?
Co1 Se2 Co7 92.122(15) . . ?
Co2 Se2 Co7 89.065(15) . . ?
Co3 Se2 Co7 163.052(17) . . ?
Co3 Se3 Co4 73.719(14) . . ?
Co3 Se3 Co2 75.377(14) . . ?
Co4 Se3 Co2 74.481(14) . . ?
Co3 Se3 Co8 90.610(15) . . ?
Co4 Se3 Co8 89.820(15) . . ?
Co2 Se3 Co8 161.254(18) . . ?
Co3 Se4 Co5 78.198(14) . . ?
Co3 Se4 Co4 75.006(14) . . ?
Co5 Se4 Co4 78.497(14) . . ?
Co4 Se5 Co6 77.585(14) . . ?
Co4 Se5 Co5 78.123(15) . . ?
Co6 Se5 Co5 74.307(14) . . ?
Co5 Se6 Co6 73.324(14) . . ?
Co5 Se6 Co1 73.999(14) . . ?
Co6 Se6 Co1 74.595(14) . . ?
Co5 Se6 Co9 89.309(14) . . ?
Co6 Se6 Co9 87.024(15) . . ?
Co1 Se6 Co9 157.954(17) . . ?
Co2 Se7 Co4 76.988(14) . . ?
Co2 Se7 Co6 78.640(15) . . ?
Co4 Se7 Co6 77.688(14) . . ?
Co5 Se8 Co3 78.087(15) . . ?
Co5 Se8 Co1 75.816(14) . . ?
Co3 Se8 Co1 78.723(14) . . ?


#----------------------------------------------------------------------------#
#                   SQUEEZE DETAILS                                          #
#----------------------------------------------------------------------------#

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2012110'
loop_
_audit_author_name
_audit_author_address
'Werner Kaminsky'
;University of Washington, Department of Chemistry
United States of America
;
_audit_update_record             
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;

_audit_creation_date             2019-10-07T15:33:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C132 H120 Co9 N9 P6 Se8'
_chemical_formula_sum            'C132 H120 Co9 N9 P6 Se8'
_chemical_formula_weight         3180.23

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.3156(16)
_cell_length_b                   24.1602(18)
_cell_length_c                   35.255(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.120(4)
_cell_angle_gamma                90
_cell_volume                     15590(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9972
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      17.61
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6320

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    2.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_T_max  0.745
_shelx_estimated_absorpt_T_min   0.67
_shelx_estimated_absorpt_T_max   0.918

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'APEX-II CCD'
_diffrn_orient_matrix_ub_11      0.02536
_diffrn_orient_matrix_ub_12      0.018761
_diffrn_orient_matrix_ub_13      0.022092
_diffrn_orient_matrix_ub_21      0.046925
_diffrn_orient_matrix_ub_22      -0.000774
_diffrn_orient_matrix_ub_23      -0.013616
_diffrn_orient_matrix_ub_31      -0.011832
_diffrn_orient_matrix_ub_32      0.036886
_diffrn_orient_matrix_ub_33      -0.011499
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.185
_diffrn_reflns_av_unetI/netI     0.3447
_diffrn_reflns_number            53839
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         1.396
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_full        24.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             27385
_reflns_number_gt                9358
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1814P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         27385
_refine_ls_number_parameters     1308
_refine_ls_number_restraints     2752
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.2844
_refine_ls_R_factor_gt           0.1364
_refine_ls_wR_factor_ref         0.399
_refine_ls_wR_factor_gt          0.3424
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.276
_refine_diff_density_min         -1.481
_refine_diff_density_rms         0.164

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co7 Co 0.50611(17) 0.28736(11) 0.87947(7) 0.0604(8) Uani 1 1 d D U . . .
N7 N 0.5154(3) 0.3520(6) 0.9187(4) 0.084(5) Uani 1 1 d D U . . .
C115 C 0.5236(9) 0.3459(9) 0.9556(5) 0.119(7) Uani 1 1 d D U . . .
H115 H 0.5257 0.3098 0.9663 0.143 Uiso 1 1 calc R U . . .
C116 C 0.5296(9) 0.3945(10) 0.9807(6) 0.146(8) Uani 1 1 d D U . . .
H116 H 0.5354 0.3892 1.0073 0.175 Uiso 1 1 calc R U . . .
C117 C 0.5269(6) 0.4472(10) 0.9666(8) 0.161(9) Uani 1 1 d D U . . .
C118 C 0.5181(9) 0.4519(9) 0.9270(7) 0.139(8) Uani 1 1 d D U . . .
H118 H 0.5156 0.4866 0.9144 0.167 Uiso 1 1 calc R U . . .
C119 C 0.5132(7) 0.4001(8) 0.9068(7) 0.114(7) Uani 1 1 d D U . . .
H119 H 0.5073 0.4035 0.88 0.137 Uiso 1 1 calc R U . . .
C120 C 0.5321(8) 0.5024(9) 0.9872(5) 0.152(10) Uani 1 1 d D U . . .
H12A H 0.5789 0.5062 1.0019 0.182 Uiso 1 1 calc R U . . .
H12B H 0.5262 0.5339 0.9694 0.182 Uiso 1 1 calc R U . . .
P1 P 0.3538(3) 0.2868(2) 0.83846(14) 0.0557(13) Uani 1 1 d D U . . .
N1 N 0.4013(7) 0.2848(6) 0.8788(3) 0.072(3) Uani 1 1 d D U . . .
C1 C 0.3069(9) 0.3538(5) 0.8342(5) 0.090(5) Uani 1 1 d DG U . . .
C2 C 0.2514(9) 0.3602(6) 0.8066(5) 0.125(8) Uani 1 1 d DG U . . .
H2 H 0.234 0.329 0.7926 0.15 Uiso 1 1 calc R U . . .
C3 C 0.2213(10) 0.4121(8) 0.7995(5) 0.145(9) Uani 1 1 d DG U . . .
H3 H 0.1833 0.4165 0.7807 0.174 Uiso 1 1 calc R U . . .
C4 C 0.2467(12) 0.4578(6) 0.8201(6) 0.181(11) Uani 1 1 d DG U . . .
H4 H 0.2261 0.4933 0.8153 0.217 Uiso 1 1 calc R U . . .
C5 C 0.3022(12) 0.4514(5) 0.8477(6) 0.139(9) Uani 1 1 d DG U . . .
H5 H 0.3196 0.4826 0.8618 0.167 Uiso 1 1 calc R U . . .
C6 C 0.3323(9) 0.3995(6) 0.8548(5) 0.134(8) Uani 1 1 d DG U . . .
H6 H 0.3703 0.3951 0.8736 0.161 Uiso 1 1 calc R U . . .
C7 C 0.2767(7) 0.2402(5) 0.8437(4) 0.074(4) Uani 1 1 d DG U . . .
C8 C 0.2167(9) 0.2584(6) 0.8633(5) 0.131(8) Uani 1 1 d DG U . . .
H8 H 0.2132 0.2962 0.8705 0.157 Uiso 1 1 calc R U . . .
C9 C 0.1619(8) 0.2214(9) 0.8723(5) 0.147(9) Uani 1 1 d DG U . . .
H9 H 0.121 0.2338 0.8857 0.176 Uiso 1 1 calc R U . . .
C10 C 0.1671(9) 0.1661(8) 0.8618(6) 0.162(10) Uani 1 1 d DG U . . .
H10 H 0.1297 0.1408 0.8679 0.195 Uiso 1 1 calc R U . . .
C11 C 0.2271(11) 0.1479(5) 0.8422(5) 0.125(8) Uani 1 1 d DG U . . .
H11 H 0.2306 0.1101 0.835 0.15 Uiso 1 1 calc R U . . .
C12 C 0.2819(8) 0.1849(6) 0.8332(4) 0.105(7) Uani 1 1 d DG U . . .
H12 H 0.3229 0.1725 0.8198 0.126 Uiso 1 1 calc R U . . .
C13 C 0.3706(9) 0.2746(7) 0.9146(4) 0.091(5) Uani 1 1 d DG U . . .
C14 C 0.3705(10) 0.2200(6) 0.9270(5) 0.129(8) Uani 1 1 d DG U . . .
H14 H 0.3903 0.1917 0.9118 0.155 Uiso 1 1 calc R U . . .
C15 C 0.3415(12) 0.2068(7) 0.9618(6) 0.165(9) Uani 1 1 d DG U . . .
H15 H 0.3415 0.1695 0.9703 0.198 Uiso 1 1 calc R U . . .
C16 C 0.3126(13) 0.2483(10) 0.9841(4) 0.194(11) Uani 1 1 d DG U . . .
C17 C 0.3127(12) 0.3028(9) 0.9716(5) 0.168(9) Uani 1 1 d DG U . . .
H17 H 0.2929 0.3312 0.9869 0.201 Uiso 1 1 calc R U . . .
C18 C 0.3417(11) 0.3160(6) 0.9369(5) 0.158(9) Uani 1 1 d DG U . . .
H18 H 0.3417 0.3533 0.9284 0.19 Uiso 1 1 calc R U . . .
C19 C 0.284(3) 0.2381(17) 1.0234(7) 0.29(2) Uani 1 1 d D U . . .
H19A H 0.2878 0.2707 1.0398 0.441 Uiso 1 1 d R U . . .
H19B H 0.3128 0.2078 1.0345 0.441 Uiso 1 1 d R U . . .
H19C H 0.2322 0.2266 1.021 0.441 Uiso 1 1 d R U . . .
P2 P 0.6408(3) 0.2353(2) 0.84282(15) 0.0658(14) Uani 1 1 d D U . . .
N2 N 0.5965(7) 0.2435(6) 0.8822(3) 0.066(3) Uani 1 1 d D U . . .
C20 C 0.7107(13) 0.2895(9) 0.8430(8) 0.073(4) Uani 0.409(10) 1 d DG U P A 1
C21 C 0.7180(16) 0.3276(11) 0.8725(8) 0.083(5) Uani 0.409(10) 1 d DG U P A 1
H21 H 0.682 0.3296 0.8911 0.1 Uiso 0.409(10) 1 calc R U P A 1
C22 C 0.7782(19) 0.3627(11) 0.8747(10) 0.098(6) Uani 0.409(10) 1 d DG U P A 1
H22 H 0.7832 0.3888 0.8948 0.118 Uiso 0.409(10) 1 calc R U P A 1
C23 C 0.8310(15) 0.3597(15) 0.8474(12) 0.108(6) Uani 0.409(10) 1 d DG U P A 1
H23 H 0.8721 0.3837 0.8489 0.13 Uiso 0.409(10) 1 calc R U P A 1
C24 C 0.8236(13) 0.3216(15) 0.8180(10) 0.102(5) Uani 0.409(10) 1 d DG U P A 1
H24 H 0.8597 0.3196 0.7993 0.122 Uiso 0.409(10) 1 calc R U P A 1
C25 C 0.7635(14) 0.2865(10) 0.8158(7) 0.089(5) Uani 0.409(10) 1 d DG U P A 1
H25 H 0.7584 0.2605 0.7957 0.106 Uiso 0.409(10) 1 calc DR U P A 1
C26 C 0.6907(14) 0.1723(7) 0.8425(10) 0.086(4) Uani 0.409(10) 1 d DG U P A 1
C27 C 0.6528(17) 0.1224(9) 0.8425(11) 0.101(6) Uani 0.409(10) 1 d DG U P A 1
H27 H 0.6009 0.1224 0.8421 0.122 Uiso 0.409(10) 1 calc R U P A 1
C28 C 0.691(2) 0.0726(7) 0.8430(12) 0.122(7) Uani 0.409(10) 1 d DG U P A 1
H28 H 0.6648 0.0386 0.843 0.147 Uiso 0.409(10) 1 calc R U P A 1
C29 C 0.767(2) 0.0726(11) 0.8436(13) 0.141(8) Uani 0.409(10) 1 d DG U P A 1
H29 H 0.7926 0.0385 0.8439 0.169 Uiso 0.409(10) 1 calc R U P A 1
C30 C 0.8046(17) 0.1224(15) 0.8436(12) 0.121(7) Uani 0.409(10) 1 d DG U P A 1
H30 H 0.8565 0.1224 0.844 0.145 Uiso 0.409(10) 1 calc R U P A 1
C31 C 0.7666(14) 0.1722(11) 0.8431(9) 0.106(6) Uani 0.409(10) 1 d DG U P A 1
H31 H 0.7926 0.2063 0.8431 0.127 Uiso 0.409(10) 1 calc DR U P A 1
C32 C 0.6182(8) 0.2263(7) 0.9197(3) 0.080(5) Uani 1 1 d DG U . . .
C33 C 0.5633(7) 0.2091(8) 0.9432(4) 0.129(8) Uani 1 1 d DG U . . .
H33 H 0.514 0.2082 0.9339 0.154 Uiso 1 1 calc R U . . .
C34 C 0.5806(10) 0.1933(8) 0.9804(4) 0.137(8) Uani 1 1 d DG U . . .
H34 H 0.5431 0.1816 0.9965 0.164 Uiso 1 1 calc R U . . .
C35 C 0.6528(11) 0.1946(8) 0.9940(3) 0.144(9) Uani 1 1 d DG U . . .
C36 C 0.7077(8) 0.2118(8) 0.9705(5) 0.120(7) Uani 1 1 d DG U . . .
H36 H 0.757 0.2127 0.9798 0.145 Uiso 1 1 calc R U . . .
C37 C 0.6904(8) 0.2276(7) 0.9333(4) 0.116(7) Uani 1 1 d DG U . . .
H37 H 0.7279 0.2393 0.9172 0.14 Uiso 1 1 calc R U . . .
C38 C 0.6748(18) 0.1772(15) 1.0349(6) 0.195(14) Uani 1 1 d D U . . .
H38A H 0.6941 0.1394 1.0355 0.293 Uiso 1 1 d R U . . .
H38B H 0.6302 0.1789 1.0493 0.293 Uiso 1 1 d R U . . .
H38C H 0.7114 0.2025 1.0462 0.293 Uiso 1 1 d R U . . .
Co8 Co 0.54620(19) 0.11632(13) 0.67163(8) 0.0816(11) Uani 1 1 d D U . . .
N8 N 0.5216(5) 0.0823(6) 0.6179(3) 0.095(5) Uani 1 1 d D U . . .
C121 C 0.4847(9) 0.1127(9) 0.5932(5) 0.111(7) Uani 1 1 d D U . . .
H121 H 0.4699 0.149 0.5998 0.133 Uiso 1 1 calc R U . . .
C122 C 0.4665(10) 0.0906(10) 0.5556(6) 0.126(8) Uani 1 1 d D U . . .
H122 H 0.4398 0.1126 0.5376 0.151 Uiso 1 1 calc R U . . .
C123 C 0.4877(10) 0.0386(10) 0.5463(5) 0.135(9) Uani 1 1 d D U . . .
C124 C 0.5275(12) 0.0065(9) 0.5734(6) 0.134(8) Uani 1 1 d D U . . .
H124 H 0.5438 -0.03 0.5685 0.161 Uiso 1 1 calc R U . . .
C125 C 0.5412(10) 0.0346(8) 0.6095(6) 0.132(8) Uani 1 1 d D U . . .
H125 H 0.5678 0.0144 0.6286 0.159 Uiso 1 1 calc R U . . .
C126 C 0.4682(10) 0.0162(11) 0.5069(6) 0.149(10) Uani 1 1 d D U . . .
H12C H 0.4246 -0.0079 0.5078 0.179 Uiso 1 1 calc R U . . .
H12D H 0.4568 0.0472 0.4893 0.179 Uiso 1 1 calc R U . . .
P3 P 0.4364(4) 0.0985(2) 0.73396(17) 0.0833(18) Uani 1 1 d D U . . .
N3 N 0.4938(8) 0.0690(5) 0.7042(4) 0.079(3) Uani 1 1 d D U . . .
C39 C 0.3448(7) 0.0943(7) 0.7116(5) 0.099(5) Uani 1 1 d DG U . . .
C40 C 0.2826(10) 0.0997(8) 0.7327(4) 0.144(8) Uani 1 1 d DG U . . .
H40 H 0.2867 0.0992 0.7597 0.173 Uiso 1 1 calc R U . . .
C41 C 0.2145(7) 0.1059(8) 0.7145(7) 0.158(9) Uani 1 1 d DG U . . .
H41 H 0.1721 0.1096 0.729 0.189 Uiso 1 1 calc R U . . .
C42 C 0.2086(8) 0.1066(8) 0.6751(7) 0.154(9) Uani 1 1 d DG U . . .
H42 H 0.162 0.1108 0.6626 0.185 Uiso 1 1 calc R U . . .
C43 C 0.2707(12) 0.1011(8) 0.6539(4) 0.136(8) Uani 1 1 d DG U . . .
H43 H 0.2666 0.1016 0.627 0.163 Uiso 1 1 calc R U . . .
C44 C 0.3388(9) 0.0950(7) 0.6722(5) 0.120(7) Uani 1 1 d DG U . . .
H44 H 0.3812 0.0913 0.6577 0.144 Uiso 1 1 calc R U . . .
C45 C 0.4321(10) 0.0518(6) 0.7733(4) 0.102(5) Uani 1 1 d DG U . . .
C46 C 0.3731(10) 0.0162(9) 0.7765(5) 0.185(10) Uani 1 1 d DG U . . .
H46 H 0.3318 0.0195 0.7595 0.222 Uiso 1 1 calc R U . . .
C47 C 0.3743(13) -0.0243(9) 0.8046(7) 0.209(11) Uani 1 1 d DG U . . .
H47 H 0.3339 -0.0486 0.8067 0.251 Uiso 1 1 calc R U . . .
C48 C 0.4346(16) -0.0291(8) 0.8295(6) 0.217(13) Uani 1 1 d DG U . . .
H48 H 0.4354 -0.0567 0.8486 0.261 Uiso 1 1 calc R U . . .
C49 C 0.4937(12) 0.0065(9) 0.8263(5) 0.171(10) Uani 1 1 d DG U . . .
H49 H 0.5349 0.0032 0.8433 0.206 Uiso 1 1 calc R U . . .
C50 C 0.4924(9) 0.0469(8) 0.7982(5) 0.145(9) Uani 1 1 d DG U . . .
H50 H 0.5328 0.0713 0.7961 0.174 Uiso 1 1 calc R U . . .
C51 C 0.4971(10) 0.0099(5) 0.7011(5) 0.089(5) Uani 1 1 d DG U . . .
C52 C 0.4425(9) -0.0156(7) 0.6789(5) 0.151(9) Uani 1 1 d DG U . . .
H52 H 0.407 0.0063 0.6655 0.182 Uiso 1 1 calc R U . . .
C53 C 0.4398(11) -0.0729(7) 0.6763(6) 0.163(9) Uani 1 1 d DG U . . .
H53 H 0.4025 -0.0903 0.6612 0.196 Uiso 1 1 calc R U . . .
C54 C 0.4918(12) -0.1049(5) 0.6960(6) 0.172(10) Uani 1 1 d DG U . . .
C55 C 0.5464(10) -0.0794(6) 0.7182(5) 0.129(8) Uani 1 1 d DG U . . .
H55 H 0.582 -0.1013 0.7316 0.154 Uiso 1 1 calc R U . . .
C56 C 0.5491(9) -0.0221(7) 0.7207(5) 0.153(9) Uani 1 1 d DG U . . .
H56 H 0.5864 -0.0047 0.7359 0.183 Uiso 1 1 calc R U . . .
C57 C 0.491(2) -0.1688(7) 0.6939(10) 0.191(14) Uani 1 1 d D U . . .
H57A H 0.4409 -0.181 0.6879 0.286 Uiso 1 1 d R U . . .
H57B H 0.5086 -0.186 0.7177 0.286 Uiso 1 1 d R U . . .
H57C H 0.5226 -0.1797 0.6734 0.286 Uiso 1 1 d R U . . .
P4 P 0.6530(4) 0.2167(3) 0.67176(18) 0.0944(19) Uani 1 1 d D U . . .
N4 N 0.6414(8) 0.1507(5) 0.6609(5) 0.106(4) Uani 1 1 d D U . . .
C58 C 0.7445(10) 0.2234(10) 0.6922(8) 0.098(4) Uani 0.525(16) 1 d DG U P B 1
C59 C 0.7768(13) 0.2741(9) 0.7009(9) 0.101(6) Uani 0.525(16) 1 d DG U P B 1
H59 H 0.7525 0.3075 0.6939 0.121 Uiso 0.525(16) 1 calc R U P B 1
C60 C 0.8447(14) 0.2760(12) 0.7199(9) 0.109(6) Uani 0.525(16) 1 d DG U P B 1
H60 H 0.8668 0.3106 0.7258 0.131 Uiso 0.525(16) 1 calc R U P B 1
C61 C 0.8803(11) 0.2271(15) 0.7301(9) 0.111(8) Uani 0.525(16) 1 d DG U P B 1
H61 H 0.9267 0.2284 0.743 0.133 Uiso 0.525(16) 1 calc R U P B 1
C62 C 0.8480(14) 0.1764(12) 0.7214(9) 0.116(7) Uani 0.525(16) 1 d DG U P B 1
H62 H 0.8724 0.143 0.7284 0.139 Uiso 0.525(16) 1 calc R U P B 1
C63 C 0.7801(14) 0.1745(9) 0.7025(9) 0.110(7) Uani 0.525(16) 1 d DG U P B 1
H63 H 0.7581 0.1399 0.6965 0.132 Uiso 0.525(16) 1 calc R U P B 1
C64 C 0.6512(11) 0.2553(7) 0.6278(4) 0.118(6) Uani 1 1 d DG U . . .
C65 C 0.6823(12) 0.3076(8) 0.6253(5) 0.172(10) Uani 1 1 d DG U . . .
H65 H 0.7112 0.3218 0.646 0.206 Uiso 1 1 calc R U . . .
C66 C 0.6710(14) 0.3390(7) 0.5926(7) 0.185(10) Uani 1 1 d DG U . . .
H66 H 0.6923 0.3747 0.5909 0.222 Uiso 1 1 calc R U . . .
C67 C 0.6287(15) 0.3181(10) 0.5623(5) 0.203(12) Uani 1 1 d DG U . . .
H67 H 0.621 0.3396 0.54 0.243 Uiso 1 1 calc R U . . .
C68 C 0.5976(13) 0.2658(11) 0.5648(5) 0.200(11) Uani 1 1 d DG U . . .
H68 H 0.5687 0.2515 0.5441 0.24 Uiso 1 1 calc R U . . .
C69 C 0.6089(12) 0.2344(8) 0.5975(6) 0.184(10) Uani 1 1 d DG U . . .
H69 H 0.5876 0.1986 0.5992 0.221 Uiso 1 1 calc R U . . .
C70 C 0.6911(10) 0.1134(7) 0.6436(6) 0.143(7) Uani 1 1 d DG U . . .
C71 C 0.7374(12) 0.1315(7) 0.6158(6) 0.186(10) Uani 1 1 d DG U . . .
H71 H 0.734 0.1684 0.6067 0.223 Uiso 1 1 calc R U . . .
C72 C 0.7885(12) 0.0954(10) 0.6013(6) 0.207(11) Uani 1 1 d DG U . . .
H72 H 0.8201 0.1078 0.5823 0.248 Uiso 1 1 calc R U . . .
C73 C 0.7934(12) 0.0414(9) 0.6146(7) 0.230(12) Uani 1 1 d DG U . . .
C74 C 0.7472(13) 0.0233(7) 0.6424(7) 0.199(10) Uani 1 1 d DG U . . .
H74 H 0.7505 -0.0136 0.6516 0.239 Uiso 1 1 calc R U . . .
C75 C 0.6960(12) 0.0593(8) 0.6570(6) 0.206(11) Uani 1 1 d DG U . . .
H75 H 0.6644 0.047 0.676 0.247 Uiso 1 1 calc R U . . .
C76 C 0.8524(17) -0.0024(13) 0.6051(11) 0.230(16) Uani 1 1 d D U . . .
H76A H 0.8339 -0.0405 0.6057 0.346 Uiso 1 1 d R U . . .
H76B H 0.8945 0.0012 0.6229 0.346 Uiso 1 1 d R U . . .
H76C H 0.8673 0.0064 0.5794 0.346 Uiso 1 1 d R U . . .
Co9 Co 0.4414(2) 0.41409(14) 0.67480(8) 0.1015(14) Uani 1 1 d D U . . .
N9 N 0.4681(5) 0.4466(6) 0.6220(3) 0.114(5) Uani 1 1 d D U . . .
C127 C 0.4429(12) 0.4963(9) 0.6125(6) 0.185(10) Uani 1 1 d D U . . .
H127 H 0.4135 0.5159 0.6297 0.222 Uiso 1 1 calc R U . . .
C128 C 0.4591(13) 0.5218(11) 0.5761(7) 0.180(10) Uani 1 1 d D U . . .
H128 H 0.441 0.5575 0.5693 0.216 Uiso 1 1 calc R U . . .
C129 C 0.5017(12) 0.4919(13) 0.5522(6) 0.219(12) Uani 1 1 d D U . . .
C130 C 0.5274(13) 0.4400(12) 0.5629(7) 0.196(10) Uani 1 1 d D U . . .
H130 H 0.5569 0.4181 0.5471 0.236 Uiso 1 1 calc R U . . .
C131 C 0.5055(11) 0.4214(11) 0.6003(6) 0.192(10) Uani 1 1 d D U . . .
H131 H 0.5224 0.3859 0.6083 0.231 Uiso 1 1 calc R U . . .
C132 C 0.5218(15) 0.5147(15) 0.5138(6) 0.227(14) Uani 1 1 d D U . . .
H13A H 0.5112 0.5549 0.5123 0.273 Uiso 1 1 calc R U . . .
H13B H 0.5743 0.5089 0.5096 0.273 Uiso 1 1 calc R U . . .
P5 P 0.3367(4) 0.3146(2) 0.66733(15) 0.0750(16) Uani 1 1 d D U . . .
N5 N 0.3477(8) 0.3822(5) 0.6608(4) 0.088(4) Uani 1 1 d D U . . .
C77 C 0.3418(12) 0.2857(7) 0.6193(4) 0.063(4) Uani 0.620(13) 1 d DG U P C 1
C78 C 0.3305(13) 0.2297(7) 0.6125(5) 0.073(6) Uani 0.620(13) 1 d DG U P C 1
H78 H 0.3147 0.2063 0.6322 0.087 Uiso 0.620(13) 1 calc R U P C 1
C79 C 0.3423(14) 0.2078(7) 0.5767(5) 0.079(6) Uani 0.620(13) 1 d DG U P C 1
H79 H 0.3346 0.1694 0.5721 0.095 Uiso 0.620(13) 1 calc R U P C 1
C80 C 0.3654(14) 0.2419(10) 0.5478(4) 0.087(6) Uani 0.620(13) 1 d DG U P C 1
H80 H 0.3735 0.227 0.5234 0.104 Uiso 0.620(13) 1 calc R U P C 1
C81 C 0.3767(13) 0.2980(9) 0.5546(4) 0.085(6) Uani 0.620(13) 1 d DG U P C 1
H81 H 0.3925 0.3214 0.5349 0.102 Uiso 0.620(13) 1 calc R U P C 1
C82 C 0.3649(13) 0.3199(6) 0.5903(5) 0.074(5) Uani 0.620(13) 1 d DG U P C 1
H82 H 0.3726 0.3582 0.595 0.088 Uiso 0.620(13) 1 calc R U P C 1
C83 C 0.2412(7) 0.3059(7) 0.6779(5) 0.099(5) Uani 1 1 d DG U . . .
C84 C 0.2127(10) 0.3358(7) 0.7076(5) 0.153(9) Uani 1 1 d DG U . . .
H84 H 0.2421 0.3625 0.7208 0.183 Uiso 1 1 calc R U . . .
C85 C 0.1413(10) 0.3267(9) 0.7181(5) 0.150(9) Uani 1 1 d DG U . . .
H85 H 0.1219 0.3471 0.7384 0.18 Uiso 1 1 calc R U . . .
C86 C 0.0983(7) 0.2876(10) 0.6988(7) 0.191(12) Uani 1 1 d DG U . . .
H86 H 0.0495 0.2814 0.706 0.229 Uiso 1 1 calc R U . . .
C87 C 0.1267(10) 0.2577(9) 0.6691(7) 0.180(10) Uani 1 1 d DG U . . .
H87 H 0.0974 0.231 0.6559 0.216 Uiso 1 1 calc R U . . .
C88 C 0.1982(10) 0.2668(8) 0.6586(5) 0.182(10) Uani 1 1 d DG U . . .
H88 H 0.2176 0.2463 0.6383 0.218 Uiso 1 1 calc R U . . .
C89 C 0.3013(14) 0.4164(9) 0.6376(9) 0.105(6) Uani 0.509(15) 1 d DG U P D 1
C90 C 0.2373(16) 0.3966(9) 0.6201(11) 0.101(6) Uani 0.509(15) 1 d DG U P D 1
H90 H 0.2241 0.3588 0.6227 0.122 Uiso 0.509(15) 1 calc R U P D 1
C91 C 0.1926(15) 0.4320(12) 0.5985(9) 0.110(7) Uani 0.509(15) 1 d DG U P D 1
H91 H 0.1489 0.4184 0.5865 0.132 Uiso 0.509(15) 1 calc R U P D 1
C92 C 0.2119(15) 0.4873(11) 0.5946(8) 0.113(8) Uani 0.509(15) 1 d DG U P D 1
C93 C 0.2759(17) 0.5071(8) 0.6122(9) 0.110(7) Uani 0.509(15) 1 d DG U P D 1
H93 H 0.289 0.5449 0.6095 0.133 Uiso 0.509(15) 1 calc R U P D 1
C94 C 0.3205(14) 0.4717(9) 0.6337(9) 0.101(6) Uani 0.509(15) 1 d DG U P D 1
H94 H 0.3642 0.4853 0.6457 0.121 Uiso 0.509(15) 1 calc R U P D 1
C95 C 0.164(2) 0.5310(16) 0.5739(13) 0.143(13) Uani 0.509(15) 1 d D U P D 1
H95A H 0.1335 0.5495 0.5921 0.214 Uiso 0.509(15) 1 d R U P D 1
H95B H 0.1335 0.5121 0.5546 0.214 Uiso 0.509(15) 1 d R U P D 1
H95C H 0.1949 0.5585 0.5615 0.214 Uiso 0.509(15) 1 d R U P D 1
P6 P 0.5533(4) 0.4316(3) 0.74134(18) 0.094(2) Uani 1 1 d D U . . .
N6 N 0.5014(8) 0.4608(5) 0.7089(4) 0.084(4) Uani 1 1 d D U . . .
C96 C 0.5452(10) 0.4760(6) 0.7840(4) 0.100(5) Uani 1 1 d DG U . . .
C97 C 0.5962(9) 0.5175(8) 0.7917(5) 0.177(10) Uani 1 1 d DG U . . .
H97 H 0.6405 0.5184 0.7785 0.212 Uiso 1 1 calc R U . . .
C98 C 0.5825(13) 0.5576(7) 0.8188(6) 0.189(11) Uani 1 1 d DG U . . .
H98 H 0.6174 0.5859 0.8241 0.226 Uiso 1 1 calc R U . . .
C99 C 0.5177(15) 0.5563(8) 0.8381(5) 0.202(12) Uani 1 1 d DG U . . .
H99 H 0.5083 0.5837 0.8567 0.242 Uiso 1 1 calc R U . . .
C100 C 0.4667(11) 0.5148(10) 0.8304(5) 0.162(9) Uani 1 1 d DG U . . .
H100 H 0.4224 0.5139 0.8436 0.194 Uiso 1 1 calc R U . . .
C101 C 0.4804(10) 0.4747(7) 0.8033(5) 0.153(9) Uani 1 1 d DG U . . .
H101 H 0.4456 0.4464 0.798 0.183 Uiso 1 1 calc R U . . .
C102 C 0.6458(7) 0.4369(7) 0.7285(5) 0.110(5) Uani 1 1 d DG U . . .
C103 C 0.7002(10) 0.4368(8) 0.7570(4) 0.145(8) Uani 1 1 d DG U . . .
H103 H 0.6876 0.4407 0.7828 0.175 Uiso 1 1 calc R U . . .
C104 C 0.7729(8) 0.4312(8) 0.7479(6) 0.155(8) Uani 1 1 d DG U . . .
H104 H 0.8101 0.4311 0.7674 0.186 Uiso 1 1 calc R U . . .
C105 C 0.7913(7) 0.4255(8) 0.7102(7) 0.157(9) Uani 1 1 d DG U . . .
H105 H 0.8411 0.4216 0.7039 0.188 Uiso 1 1 calc R U . . .
C106 C 0.7369(11) 0.4255(8) 0.6816(5) 0.158(9) Uani 1 1 d DG U . . .
H106 H 0.7495 0.4217 0.6558 0.189 Uiso 1 1 calc R U . . .
C107 C 0.6641(9) 0.4312(7) 0.6908(4) 0.130(7) Uani 1 1 d DG U . . .
H107 H 0.627 0.4312 0.6712 0.156 Uiso 1 1 calc R U . . .
C108 C 0.4833(14) 0.5177(7) 0.7092(8) 0.076(4) Uani 0.440(17) 1 d DG U P E 1
C109 C 0.5378(14) 0.5567(9) 0.7041(10) 0.096(6) Uani 0.440(17) 1 d DG U P E 1
H109 H 0.5844 0.5452 0.6961 0.115 Uiso 0.440(17) 1 calc R U P E 1
C110 C 0.5241(18) 0.6124(8) 0.7105(11) 0.094(6) Uani 0.440(17) 1 d DG U P E 1
H110 H 0.5614 0.6391 0.707 0.112 Uiso 0.440(17) 1 calc R U P E 1
C111 C 0.456(2) 0.6291(7) 0.7222(11) 0.102(7) Uani 0.440(17) 1 d DG U P E 1
C112 C 0.4013(16) 0.5901(11) 0.7274(11) 0.102(6) Uani 0.440(17) 1 d DG U P E 1
H112 H 0.3547 0.6016 0.7353 0.122 Uiso 0.440(17) 1 calc R U P E 1
C113 C 0.4150(14) 0.5344(9) 0.7209(10) 0.097(6) Uani 0.440(17) 1 d DG U P E 1
H113 H 0.3778 0.5078 0.7244 0.116 Uiso 0.440(17) 1 calc R U P E 1
C114 C 0.432(3) 0.6896(11) 0.727(2) 0.153(17) Uani 0.440(17) 1 d D U P E 1
H11A H 0.3977 0.6945 0.7472 0.23 Uiso 0.440(17) 1 d R U P E 1
H11B H 0.4077 0.6991 0.7024 0.23 Uiso 0.440(17) 1 d R U P E 1
H11C H 0.4743 0.714 0.7313 0.23 Uiso 0.440(17) 1 d R U P E 1
Co1 Co 0.42171(16) 0.27783(9) 0.79053(7) 0.0504(7) Uani 1 1 d . U . . .
Co2 Co 0.57158(16) 0.24723(10) 0.79302(7) 0.0518(7) Uani 1 1 d . U . . .
Co3 Co 0.46410(17) 0.18223(11) 0.74677(7) 0.0607(8) Uani 1 1 d . U . . .
Co4 Co 0.57278(18) 0.24530(12) 0.70978(8) 0.0686(9) Uani 1 1 d . U . . .
Co5 Co 0.41748(18) 0.28265(12) 0.70746(7) 0.0660(9) Uani 1 1 d . U . . .
Co6 Co 0.52741(19) 0.34509(11) 0.75013(7) 0.0677(9) Uani 1 1 d . U . . .
Se1 Se 0.52143(12) 0.32978(7) 0.81610(5) 0.0513(6) Uani 1 1 d . . . . .
Se2 Se 0.47174(12) 0.19503(7) 0.81240(5) 0.0468(6) Uani 1 1 d . . . . .
Se3 Se 0.59125(13) 0.17322(9) 0.75215(6) 0.0635(7) Uani 1 1 d . . . . .
Se4 Se 0.47010(14) 0.20079(9) 0.68130(6) 0.0676(7) Uani 1 1 d . . . . .
Se5 Se 0.52079(15) 0.32906(10) 0.68443(6) 0.0791(9) Uani 1 1 d . . . . .
Se6 Se 0.40044(14) 0.35379(8) 0.75049(5) 0.0647(7) Uani 1 1 d . . . . .
Se7 Se 0.35098(13) 0.22739(8) 0.74710(5) 0.0539(6) Uani 1 1 d . . . . .
Se8 Se 0.64108(15) 0.30014(10) 0.75252(6) 0.0764(8) Uani 1 1 d . . . . .
C20B C 0.7250(14) 0.2822(10) 0.8473(7) 0.073(4) Uani 0.591(10) 1 d G U P A 2
C21B C 0.7117(12) 0.3383(11) 0.8418(7) 0.083(5) Uani 0.591(10) 1 d G U P A 2
H21B H 0.6645 0.3505 0.8334 0.1 Uiso 0.591(10) 1 calc R U P A 2
C22B C 0.7675(17) 0.3765(8) 0.8484(7) 0.098(6) Uani 0.591(10) 1 d G U P A 2
H22B H 0.7585 0.4148 0.8446 0.118 Uiso 0.591(10) 1 calc R U P A 2
C23B C 0.8366(14) 0.3585(12) 0.8607(8) 0.108(6) Uani 0.591(10) 1 d G U P A 2
H23B H 0.8747 0.3846 0.8652 0.13 Uiso 0.591(10) 1 calc R U P A 2
C24B C 0.8498(12) 0.3024(13) 0.8662(8) 0.102(5) Uani 0.591(10) 1 d G U P A 2
H24B H 0.897 0.2901 0.8746 0.122 Uiso 0.591(10) 1 calc R U P A 2
C25B C 0.7940(16) 0.2642(9) 0.8596(7) 0.089(5) Uani 0.591(10) 1 d G U P A 2
H25B H 0.8031 0.2259 0.8634 0.106 Uiso 0.591(10) 1 calc R U P A 2
C26B C 0.6790(16) 0.1656(9) 0.8458(8) 0.086(4) Uani 0.591(10) 1 d G U P A 2
C27B C 0.6496(15) 0.1260(13) 0.8694(7) 0.101(6) Uani 0.591(10) 1 d G U P A 2
H27B H 0.6174 0.1368 0.8886 0.122 Uiso 0.591(10) 1 calc R U P A 2
C28B C 0.6672(18) 0.0704(11) 0.8649(9) 0.122(7) Uani 0.591(10) 1 d G U P A 2
H28B H 0.6471 0.0433 0.881 0.147 Uiso 0.591(10) 1 calc R U P A 2
C29B C 0.7143(19) 0.0546(9) 0.8368(10) 0.141(8) Uani 0.591(10) 1 d G U P A 2
H29B H 0.7264 0.0167 0.8337 0.169 Uiso 0.591(10) 1 calc R U P A 2
C30B C 0.7437(16) 0.0943(14) 0.8132(8) 0.121(7) Uani 0.591(10) 1 d G U P A 2
H30B H 0.7759 0.0834 0.7941 0.145 Uiso 0.591(10) 1 calc R U P A 2
C31B C 0.7260(16) 0.1498(12) 0.8177(8) 0.106(6) Uani 0.591(10) 1 d G U P A 2
H31B H 0.7461 0.1769 0.8016 0.127 Uiso 0.591(10) 1 calc R U P A 2
C58B C 0.7537(17) 0.2166(16) 0.6867(11) 0.098(4) Uani 0.475(16) 1 d G U P B 2
C59B C 0.808(2) 0.2462(14) 0.6692(9) 0.101(6) Uani 0.475(16) 1 d G U P B 2
H59B H 0.7967 0.2673 0.6471 0.121 Uiso 0.475(16) 1 calc R U P B 2
C60B C 0.8794(19) 0.2450(15) 0.6842(11) 0.109(6) Uani 0.475(16) 1 d G U P B 2
H60B H 0.9167 0.2652 0.6723 0.131 Uiso 0.475(16) 1 calc R U P B 2
C61B C 0.8962(17) 0.2142(17) 0.7167(11) 0.111(8) Uani 0.475(16) 1 d G U P B 2
H61B H 0.9449 0.2133 0.7269 0.133 Uiso 0.475(16) 1 calc R U P B 2
C62B C 0.842(2) 0.1845(15) 0.7341(9) 0.116(7) Uani 0.475(16) 1 d G U P B 2
H62B H 0.8532 0.1635 0.7563 0.139 Uiso 0.475(16) 1 calc R U P B 2
C63B C 0.771(2) 0.1857(15) 0.7191(11) 0.110(7) Uani 0.475(16) 1 d G U P B 2
H63B H 0.7333 0.1655 0.7311 0.132 Uiso 0.475(16) 1 calc R U P B 2
C77B C 0.339(2) 0.2693(14) 0.6226(8) 0.063(4) Uani 0.380(13) 1 d G U P C 2
C78B C 0.2786(18) 0.2444(15) 0.6047(10) 0.073(6) Uani 0.380(13) 1 d G U P C 2
H78B H 0.2323 0.2462 0.616 0.087 Uiso 0.380(13) 1 calc R U P C 2
C79B C 0.286(2) 0.2170(15) 0.5704(10) 0.079(6) Uani 0.380(13) 1 d G U P C 2
H79B H 0.2444 0.2 0.5582 0.095 Uiso 0.380(13) 1 calc R U P C 2
C80B C 0.353(2) 0.2144(16) 0.5539(8) 0.087(6) Uani 0.380(13) 1 d G U P C 2
H80B H 0.3583 0.1956 0.5305 0.104 Uiso 0.380(13) 1 calc R U P C 2
C81B C 0.4139(19) 0.2392(17) 0.5718(11) 0.085(6) Uani 0.380(13) 1 d G U P C 2
H81B H 0.4602 0.2374 0.5605 0.102 Uiso 0.380(13) 1 calc R U P C 2
C82B C 0.4068(18) 0.2667(15) 0.6061(10) 0.074(5) Uani 0.380(13) 1 d G U P C 2
H82B H 0.4481 0.2836 0.6183 0.088 Uiso 0.380(13) 1 calc R U P C 2
C89B C 0.2843(19) 0.4232(13) 0.6489(11) 0.105(6) Uani 0.491(15) 1 d DG U P D 2
C90B C 0.238(2) 0.4109(12) 0.6178(11) 0.101(6) Uani 0.491(15) 1 d DG U P D 2
H90B H 0.2417 0.376 0.6056 0.122 Uiso 0.491(15) 1 calc R U P D 2
C91B C 0.188(2) 0.4497(14) 0.6045(9) 0.110(7) Uani 0.491(15) 1 d DG U P D 2
H91B H 0.1561 0.4413 0.5833 0.132 Uiso 0.491(15) 1 calc R U P D 2
C92B C 0.1826(16) 0.5008(12) 0.6224(9) 0.113(8) Uani 0.491(15) 1 d DG U P D 2
C93B C 0.2286(19) 0.5130(12) 0.6535(9) 0.110(7) Uani 0.491(15) 1 d DG U P D 2
H93B H 0.2253 0.548 0.6657 0.133 Uiso 0.491(15) 1 calc R U P D 2
C94B C 0.2794(18) 0.4742(15) 0.6668(9) 0.101(6) Uani 0.491(15) 1 d DG U P D 2
H94B H 0.3109 0.4826 0.6881 0.121 Uiso 0.491(15) 1 calc R U P D 2
C95B C 0.126(2) 0.5449(18) 0.6098(15) 0.143(13) Uani 0.491(15) 1 d D U P D 2
H95D H 0.1503 0.5724 0.594 0.214 Uiso 0.491(15) 1 d R U P D 2
H95E H 0.1062 0.5633 0.6319 0.214 Uiso 0.491(15) 1 d R U P D 2
H95F H 0.0865 0.5271 0.5949 0.214 Uiso 0.491(15) 1 d R U P D 2
C208 C 0.4966(15) 0.5224(8) 0.7056(6) 0.076(4) Uani 0.560(17) 1 d DG U P E 2
C209 C 0.5505(14) 0.5453(10) 0.6838(7) 0.096(6) Uani 0.560(17) 1 d DG U P E 2
H209 H 0.586 0.5221 0.6729 0.115 Uiso 0.560(17) 1 calc R U P E 2
C210 C 0.5525(14) 0.6022(10) 0.6778(8) 0.094(6) Uani 0.560(17) 1 d DG U P E 2
H210 H 0.5894 0.6178 0.6628 0.112 Uiso 0.560(17) 1 calc R U P E 2
C211 C 0.5006(15) 0.6361(8) 0.6937(8) 0.102(7) Uani 0.560(17) 1 d DG U P E 2
C212 C 0.4466(15) 0.6132(11) 0.7156(9) 0.102(6) Uani 0.560(17) 1 d DG U P E 2
H212 H 0.4111 0.6365 0.7264 0.122 Uiso 0.560(17) 1 calc R U P E 2
C213 C 0.4447(15) 0.5564(11) 0.7215(8) 0.097(6) Uani 0.560(17) 1 d DG U P E 2
H213 H 0.4078 0.5408 0.7365 0.116 Uiso 0.560(17) 1 calc R U P E 2
C214 C 0.503(2) 0.6994(9) 0.6893(11) 0.097(6) Uani 0.560(17) 1 d D U P E 2
H21A H 0.4531 0.7141 0.6883 0.145 Uiso 0.560(17) 1 d R U P E 2
H21C H 0.5271 0.7089 0.6658 0.145 Uiso 0.560(17) 1 d R U P E 2
H21D H 0.5303 0.7155 0.711 0.145 Uiso 0.560(17) 1 d R U P E 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Co7 N1 1.920(13) . ?
Co7 N2 1.965(12) . ?
Co7 N7 2.088(12) . ?
Co7 Se1 2.483(3) . ?
N7 C119 1.234(19) . ?
N7 C115 1.315(19) . ?
C115 C116 1.47(2) . ?
C115 H115 0.95 . ?
C116 C117 1.37(3) . ?
C116 H116 0.95 . ?
C117 C118 1.40(3) . ?
C117 C120 1.520(5) . ?
C118 C119 1.44(2) . ?
C118 H118 0.95 . ?
C119 H119 0.95 . ?
C120 C120 1.515(5) 3_667 ?
C120 H12A 0.99 . ?
C120 H12B 0.99 . ?
P1 N1 1.640(11) . ?
P1 C7 1.821(11) . ?
P1 C1 1.838(10) . ?
P1 Co1 2.145(6) . ?
N1 C13 1.423(13) . ?
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C2 C3 1.39 . ?
C2 H2 0.95 . ?
C3 C4 1.39 . ?
C3 H3 0.95 . ?
C4 C5 1.39 . ?
C4 H4 0.95 . ?
C5 C6 1.39 . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C8 C9 1.39 . ?
C8 H8 0.95 . ?
C9 C10 1.39 . ?
C9 H9 0.95 . ?
C10 C11 1.39 . ?
C10 H10 0.95 . ?
C11 C12 1.39 . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C14 C15 1.39 . ?
C14 H14 0.95 . ?
C15 C16 1.39 . ?
C15 H15 0.95 . ?
C16 C17 1.39 . ?
C16 C19 1.523(5) . ?
C17 C18 1.39 . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
P2 N2 1.646(11) . ?
P2 C26 1.777(13) . ?
P2 C26B 1.82(2) . ?
P2 C20 1.831(13) . ?
P2 C20B 1.91(2) . ?
P2 Co2 2.147(6) . ?
N2 C32 1.429(12) . ?
C20 C21 1.39 . ?
C20 C25 1.39 . ?
C21 C22 1.39 . ?
C21 H21 0.95 . ?
C22 C23 1.39 . ?
C22 H22 0.95 . ?
C23 C24 1.39 . ?
C23 H23 0.95 . ?
C24 C25 1.39 . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C27 1.39 . ?
C26 C31 1.39 . ?
C27 C28 1.39 . ?
C27 H27 0.95 . ?
C28 C29 1.39 . ?
C28 H28 0.95 . ?
C29 C30 1.39 . ?
C29 H29 0.95 . ?
C30 C31 1.39 . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C33 1.39 . ?
C32 C37 1.39 . ?
C33 C34 1.39 . ?
C33 H33 0.95 . ?
C34 C35 1.39 . ?
C34 H34 0.95 . ?
C35 C36 1.39 . ?
C35 C38 1.540(14) . ?
C36 C37 1.39 . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
Co8 N3 1.904(12) . ?
Co8 N4 1.979(13) . ?
Co8 N8 2.097(12) . ?
Co8 Se4 2.502(4) . ?
N8 C125 1.25(2) . ?
N8 C121 1.309(19) . ?
C121 C122 1.46(2) . ?
C121 H121 0.95 . ?
C122 C123 1.36(3) . ?
C122 H122 0.95 . ?
C123 C124 1.41(3) . ?
C123 C126 1.521(5) . ?
C124 C125 1.46(2) . ?
C124 H124 0.95 . ?
C125 H125 0.95 . ?
C126 C126 1.50(4) 3_656 ?
C126 H12C 0.99 . ?
C126 H12D 0.99 . ?
P3 N3 1.672(12) . ?
P3 C45 1.793(11) . ?
P3 C39 1.831(11) . ?
P3 Co3 2.131(6) . ?
N3 C51 1.434(13) . ?
C39 C40 1.39 . ?
C39 C44 1.39 . ?
C40 C41 1.39 . ?
C40 H40 0.95 . ?
C41 C42 1.39 . ?
C41 H41 0.95 . ?
C42 C43 1.39 . ?
C42 H42 0.95 . ?
C43 C44 1.39 . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.39 . ?
C45 C50 1.39 . ?
C46 C47 1.39 . ?
C46 H46 0.95 . ?
C47 C48 1.39 . ?
C47 H47 0.95 . ?
C48 C49 1.39 . ?
C48 H48 0.95 . ?
C49 C50 1.39 . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.39 . ?
C51 C56 1.39 . ?
C52 C53 1.39 . ?
C52 H52 0.95 . ?
C53 C54 1.39 . ?
C53 H53 0.95 . ?
C54 C55 1.39 . ?
C54 C57 1.547(15) . ?
C55 C56 1.39 . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.98 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
P4 N4 1.652(12) . ?
P4 C58 1.808(13) . ?
P4 C64 1.808(12) . ?
P4 C58B 1.90(3) . ?
P4 Co4 2.140(8) . ?
N4 C70 1.433(14) . ?
C58 C59 1.39 . ?
C58 C63 1.39 . ?
C59 C60 1.39 . ?
C59 H59 0.95 . ?
C60 C61 1.39 . ?
C60 H60 0.95 . ?
C61 C62 1.39 . ?
C61 H61 0.95 . ?
C62 C63 1.39 . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C65 1.39 . ?
C64 C69 1.39 . ?
C65 C66 1.39 . ?
C65 H65 0.95 . ?
C66 C67 1.39 . ?
C66 H66 0.95 . ?
C67 C68 1.39 . ?
C67 H67 0.95 . ?
C68 C69 1.39 . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C71 1.39 . ?
C70 C75 1.39 . ?
C71 C72 1.39 . ?
C71 H71 0.95 . ?
C72 C73 1.39 . ?
C72 H72 0.95 . ?
C73 C74 1.39 . ?
C73 C76 1.558(15) . ?
C74 C75 1.39 . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
Co9 N5 1.930(13) . ?
Co9 N6 1.957(12) . ?
Co9 N9 2.095(13) . ?
Co9 Se5 2.532(5) . ?
N9 C131 1.21(2) . ?
N9 C127 1.33(2) . ?
C127 C128 1.46(2) . ?
C127 H127 0.95 . ?
C128 C129 1.37(3) . ?
C128 H128 0.95 . ?
C129 C130 1.39(3) . ?
C129 C132 1.521(5) . ?
C130 C131 1.46(2) . ?
C130 H130 0.95 . ?
C131 H131 0.95 . ?
C132 C132 1.42(4) 3_666 ?
C132 H13A 0.99 . ?
C132 H13B 0.99 . ?
P5 N5 1.663(12) . ?
P5 C83 1.814(11) . ?
P5 C77 1.838(11) . ?
P5 C77B 1.92(3) . ?
P5 Co5 2.153(7) . ?
N5 C89 1.421(14) . ?
N5 C89B 1.57(3) . ?
C77 C78 1.39 . ?
C77 C82 1.39 . ?
C78 C79 1.39 . ?
C78 H78 0.95 . ?
C79 C80 1.39 . ?
C79 H79 0.95 . ?
C80 C81 1.39 . ?
C80 H80 0.95 . ?
C81 C82 1.39 . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.39 . ?
C83 C88 1.39 . ?
C84 C85 1.39 . ?
C84 H84 0.95 . ?
C85 C86 1.39 . ?
C85 H85 0.95 . ?
C86 C87 1.39 . ?
C86 H86 0.95 . ?
C87 C88 1.39 . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.39 . ?
C89 C94 1.39 . ?
C90 C91 1.39 . ?
C90 H90 0.95 . ?
C91 C92 1.39 . ?
C91 H91 0.95 . ?
C92 C93 1.39 . ?
C92 C95 1.536(15) . ?
C93 C94 1.39 . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.9801 . ?
C95 H95C 0.98 . ?
P6 N6 1.621(12) . ?
P6 C102 1.774(11) . ?
P6 C96 1.857(11) . ?
P6 Co6 2.169(6) . ?
N6 C108 1.413(14) . ?
N6 C208 1.50(2) . ?
C96 C97 1.39 . ?
C96 C101 1.39 . ?
C97 C98 1.39 . ?
C97 H97 0.95 . ?
C98 C99 1.39 . ?
C98 H98 0.95 . ?
C99 C100 1.39 . ?
C99 H99 0.95 . ?
C100 C101 1.39 . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.39 . ?
C102 C107 1.39 . ?
C103 C104 1.39 . ?
C103 H103 0.95 . ?
C104 C105 1.39 . ?
C104 H104 0.95 . ?
C105 C106 1.39 . ?
C105 H105 0.95 . ?
C106 C107 1.39 . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.39 . ?
C108 C113 1.39 . ?
C109 C110 1.39 . ?
C109 H109 0.95 . ?
C110 C111 1.39 . ?
C110 H110 0.95 . ?
C111 C112 1.39 . ?
C111 C114 1.536(16) . ?
C112 C113 1.39 . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
Co1 Se7 2.316(3) . ?
Co1 Se2 2.320(3) . ?
Co1 Se6 2.339(3) . ?
Co1 Se1 2.367(3) . ?
Co1 Co2 2.841(4) . ?
Co1 Co3 2.899(4) . ?
Co1 Co5 2.929(4) . ?
Co1 Co6 2.936(4) . ?
Co2 Se8 2.330(4) . ?
Co2 Se3 2.333(3) . ?
Co2 Se2 2.344(3) . ?
Co2 Se1 2.354(3) . ?
Co2 Co6 2.905(4) . ?
Co2 Co4 2.936(4) . ?
Co2 Co3 2.960(4) . ?
Co3 Se2 2.333(3) . ?
Co3 Se3 2.340(4) . ?
Co3 Se7 2.342(4) . ?
Co3 Se4 2.358(3) . ?
Co3 Co4 2.860(4) . ?
Co3 Co5 2.907(4) . ?
Co4 Se3 2.311(4) . ?
Co4 Se8 2.335(3) . ?
Co4 Se4 2.358(3) . ?
Co4 Se5 2.395(4) . ?
Co4 Co6 2.935(4) . ?
Co4 Co5 2.982(5) . ?
Co5 Se7 2.312(3) . ?
Co5 Se6 2.321(3) . ?
Co5 Se5 2.369(4) . ?
Co5 Se4 2.399(4) . ?
Co5 Co6 2.893(4) . ?
Co6 Se6 2.336(4) . ?
Co6 Se8 2.347(5) . ?
Co6 Se5 2.347(3) . ?
Co6 Se1 2.362(3) . ?
C20B C21B 1.39 . ?
C20B C25B 1.39 . ?
C21B C22B 1.39 . ?
C21B H21B 0.95 . ?
C22B C23B 1.39 . ?
C22B H22B 0.95 . ?
C23B C24B 1.39 . ?
C23B H23B 0.95 . ?
C24B C25B 1.39 . ?
C24B H24B 0.95 . ?
C25B H25B 0.95 . ?
C26B C27B 1.39 . ?
C26B C31B 1.39 . ?
C27B C28B 1.39 . ?
C27B H27B 0.95 . ?
C28B C29B 1.39 . ?
C28B H28B 0.95 . ?
C29B C30B 1.39 . ?
C29B H29B 0.95 . ?
C30B C31B 1.39 . ?
C30B H30B 0.95 . ?
C31B H31B 0.95 . ?
C58B C59B 1.39 . ?
C58B C63B 1.39 . ?
C59B C60B 1.39 . ?
C59B H59B 0.95 . ?
C60B C61B 1.39 . ?
C60B H60B 0.95 . ?
C61B C62B 1.39 . ?
C61B H61B 0.95 . ?
C62B C63B 1.39 . ?
C62B H62B 0.95 . ?
C63B H63B 0.95 . ?
C77B C78B 1.39 . ?
C77B C82B 1.39 . ?
C78B C79B 1.39 . ?
C78B H78B 0.95 . ?
C79B C80B 1.39 . ?
C79B H79B 0.95 . ?
C80B C81B 1.39 . ?
C80B H80B 0.95 . ?
C81B C82B 1.39 . ?
C81B H81B 0.95 . ?
C82B H82B 0.95 . ?
C89B C90B 1.39 . ?
C89B C94B 1.39 . ?
C90B C91B 1.39 . ?
C90B H90B 0.95 . ?
C91B C92B 1.39 . ?
C91B H91B 0.95 . ?
C92B C93B 1.39 . ?
C92B C95B 1.540(15) . ?
C93B C94B 1.39 . ?
C93B H93B 0.95 . ?
C94B H94B 0.95 . ?
C95B H95D 0.98 . ?
C95B H95E 0.98 . ?
C95B H95F 0.98 . ?
C208 C209 1.39 . ?
C208 C213 1.39 . ?
C209 C210 1.39 . ?
C209 H209 0.95 . ?
C210 C211 1.39 . ?
C210 H210 0.95 . ?
C211 C212 1.39 . ?
C211 C214 1.537(15) . ?
C212 C213 1.39 . ?
C212 H212 0.95 . ?
C213 H213 0.95 . ?
C214 H21A 0.98 . ?
C214 H21C 0.98 . ?
C214 H21D 0.98 . ?

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 Co7 N2 145.4(6) . . ?
N1 Co7 N7 95.1(4) . . ?
N2 Co7 N7 108.9(5) . . ?
N1 Co7 Se1 98.5(4) . . ?
N2 Co7 Se1 98.2(4) . . ?
N7 Co7 Se1 106.1(5) . . ?
C119 N7 C115 116.2(17) . . ?
C119 N7 Co7 118.6(14) . . ?
C115 N7 Co7 125.2(14) . . ?
N7 C115 C116 121(2) . . ?
N7 C115 H115 119.7 . . ?
C116 C115 H115 119.7 . . ?
C117 C116 C115 122(2) . . ?
C117 C116 H116 119.2 . . ?
C115 C116 H116 119.2 . . ?
C116 C117 C118 115.9(18) . . ?
C116 C117 C120 130(2) . . ?
C118 C117 C120 114(2) . . ?
C117 C118 C119 115(2) . . ?
C117 C118 H118 122.5 . . ?
C119 C118 H118 122.5 . . ?
N7 C119 C118 130(2) . . ?
N7 C119 H119 114.8 . . ?
C118 C119 H119 114.8 . . ?
C120 C120 C117 100.5(17) 3_667 . ?
C120 C120 H12A 111.7 3_667 . ?
C117 C120 H12A 111.7 . . ?
C120 C120 H12B 111.7 3_667 . ?
C117 C120 H12B 111.7 . . ?
H12A C120 H12B 109.4 . . ?
N1 P1 C7 106.4(7) . . ?
N1 P1 C1 109.1(7) . . ?
C7 P1 C1 101.0(8) . . ?
N1 P1 Co1 112.1(6) . . ?
C7 P1 Co1 119.5(5) . . ?
C1 P1 Co1 107.9(6) . . ?
C13 N1 P1 124.0(11) . . ?
C13 N1 Co7 115.0(10) . . ?
P1 N1 Co7 120.5(8) . . ?
C2 C1 C6 120 . . ?
C2 C1 P1 118.8(9) . . ?
C6 C1 P1 120.7(9) . . ?
C3 C2 C1 120 . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C2 C3 C4 120 . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C5 C4 C3 120 . . ?
C5 C4 H4 120 . . ?
C3 C4 H4 120 . . ?
C6 C5 C4 120 . . ?
C6 C5 H5 120 . . ?
C4 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C8 C7 C12 120 . . ?
C8 C7 P1 119.0(9) . . ?
C12 C7 P1 120.4(9) . . ?
C7 C8 C9 120 . . ?
C7 C8 H8 120 . . ?
C9 C8 H8 120 . . ?
C10 C9 C8 120 . . ?
C10 C9 H9 120 . . ?
C8 C9 H9 120 . . ?
C9 C10 C11 120 . . ?
C9 C10 H10 120 . . ?
C11 C10 H10 120 . . ?
C10 C11 C12 120 . . ?
C10 C11 H11 120 . . ?
C12 C11 H11 120 . . ?
C11 C12 C7 120 . . ?
C11 C12 H12 120 . . ?
C7 C12 H12 120 . . ?
C14 C13 C18 120 . . ?
C14 C13 N1 116.8(12) . . ?
C18 C13 N1 123.2(12) . . ?
C15 C14 C13 120 . . ?
C15 C14 H14 120 . . ?
C13 C14 H14 120 . . ?
C14 C15 C16 120 . . ?
C14 C15 H15 120 . . ?
C16 C15 H15 120 . . ?
C15 C16 C17 120 . . ?
C15 C16 C19 123.5(16) . . ?
C17 C16 C19 116.4(16) . . ?
C16 C17 C18 120 . . ?
C16 C17 H17 120 . . ?
C18 C17 H17 120 . . ?
C17 C18 C13 120 . . ?
C17 C18 H18 120 . . ?
C13 C18 H18 120 . . ?
C16 C19 H19A 112.7 . . ?
C16 C19 H19B 106.3 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.4 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 P2 C26 112.2(11) . . ?
N2 P2 C26B 105.2(11) . . ?
N2 P2 C20 106.1(9) . . ?
C26 P2 C20 104.7(11) . . ?
N2 P2 C20B 106.3(10) . . ?
C26B P2 C20B 103.6(13) . . ?
N2 P2 Co2 112.2(5) . . ?
C26 P2 Co2 113.5(11) . . ?
C26B P2 Co2 112.6(9) . . ?
C20 P2 Co2 107.4(10) . . ?
C20B P2 Co2 116.0(8) . . ?
C32 N2 P2 128.0(10) . . ?
C32 N2 Co7 114.0(9) . . ?
P2 N2 Co7 117.7(7) . . ?
C21 C20 C25 120 . . ?
C21 C20 P2 121.7(13) . . ?
C25 C20 P2 117.6(13) . . ?
C22 C21 C20 120 . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 120 . . ?
C21 C22 H22 120 . . ?
C23 C22 H22 120 . . ?
C24 C23 C22 120 . . ?
C24 C23 H23 120 . . ?
C22 C23 H23 120 . . ?
C25 C24 C23 120 . . ?
C25 C24 H24 120 . . ?
C23 C24 H24 120 . . ?
C24 C25 C20 120 . . ?
C24 C25 H25 120 . . ?
C20 C25 H25 120 . . ?
C27 C26 C31 120 . . ?
C27 C26 P2 119.0(13) . . ?
C31 C26 P2 121.0(13) . . ?
C26 C27 C28 120 . . ?
C26 C27 H27 120 . . ?
C28 C27 H27 120 . . ?
C27 C28 C29 120 . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C28 C29 C30 120 . . ?
C28 C29 H29 120 . . ?
C30 C29 H29 120 . . ?
C31 C30 C29 120 . . ?
C31 C30 H30 120 . . ?
C29 C30 H30 120 . . ?
C30 C31 C26 120 . . ?
C30 C31 H31 120 . . ?
C26 C31 H31 120 . . ?
C33 C32 C37 120 . . ?
C33 C32 N2 117.2(11) . . ?
C37 C32 N2 122.8(11) . . ?
C34 C33 C32 120 . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C33 C34 C35 120 . . ?
C33 C34 H34 120 . . ?
C35 C34 H34 120 . . ?
C36 C35 C34 120 . . ?
C36 C35 C38 118.0(14) . . ?
C34 C35 C38 122.0(14) . . ?
C37 C36 C35 120 . . ?
C37 C36 H36 120 . . ?
C35 C36 H36 120 . . ?
C36 C37 C32 120 . . ?
C36 C37 H37 120 . . ?
C32 C37 H37 120 . . ?
C35 C38 H38A 111 . . ?
C35 C38 H38B 106.2 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 111.2 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N3 Co8 N4 146.5(7) . . ?
N3 Co8 N8 102.2(5) . . ?
N4 Co8 N8 98.9(5) . . ?
N3 Co8 Se4 96.4(4) . . ?
N4 Co8 Se4 100.6(4) . . ?
N8 Co8 Se4 109.9(4) . . ?
C125 N8 C121 120.4(17) . . ?
C125 N8 Co8 121.6(14) . . ?
C121 N8 Co8 117.9(13) . . ?
N8 C121 C122 119.7(19) . . ?
N8 C121 H121 120.1 . . ?
C122 C121 H121 120.1 . . ?
C123 C122 C121 120(2) . . ?
C123 C122 H122 120 . . ?
C121 C122 H122 120 . . ?
C122 C123 C124 119.3(17) . . ?
C122 C123 C126 119(2) . . ?
C124 C123 C126 121(2) . . ?
C123 C124 C125 113.8(19) . . ?
C123 C124 H124 123.1 . . ?
C125 C124 H124 123.1 . . ?
N8 C125 C124 127(2) . . ?
N8 C125 H125 116.7 . . ?
C124 C125 H125 116.7 . . ?
C126 C126 C123 109(2) 3_656 . ?
C126 C126 H12C 109.9 3_656 . ?
C123 C126 H12C 109.9 . . ?
C126 C126 H12D 109.9 3_656 . ?
C123 C126 H12D 109.9 . . ?
H12C C126 H12D 108.3 . . ?
N3 P3 C45 105.4(8) . . ?
N3 P3 C39 107.0(8) . . ?
C45 P3 C39 103.5(8) . . ?
N3 P3 Co3 112.8(6) . . ?
C45 P3 Co3 116.8(6) . . ?
C39 P3 Co3 110.5(6) . . ?
C51 N3 P3 120.0(11) . . ?
C51 N3 Co8 122.0(10) . . ?
P3 N3 Co8 117.7(7) . . ?
C40 C39 C44 120 . . ?
C40 C39 P3 121.3(11) . . ?
C44 C39 P3 117.9(11) . . ?
C39 C40 C41 120 . . ?
C39 C40 H40 120 . . ?
C41 C40 H40 120 . . ?
C42 C41 C40 120 . . ?
C42 C41 H41 120 . . ?
C40 C41 H41 120 . . ?
C41 C42 C43 120 . . ?
C41 C42 H42 120 . . ?
C43 C42 H42 120 . . ?
C42 C43 C44 120 . . ?
C42 C43 H43 120 . . ?
C44 C43 H43 120 . . ?
C43 C44 C39 120 . . ?
C43 C44 H44 120 . . ?
C39 C44 H44 120 . . ?
C46 C45 C50 120 . . ?
C46 C45 P3 120.6(11) . . ?
C50 C45 P3 119.0(11) . . ?
C45 C46 C47 120 . . ?
C45 C46 H46 120 . . ?
C47 C46 H46 120 . . ?
C48 C47 C46 120 . . ?
C48 C47 H47 120 . . ?
C46 C47 H47 120 . . ?
C49 C48 C47 120 . . ?
C49 C48 H48 120 . . ?
C47 C48 H48 120 . . ?
C48 C49 C50 120 . . ?
C48 C49 H49 120 . . ?
C50 C49 H49 120 . . ?
C49 C50 C45 120 . . ?
C49 C50 H50 120 . . ?
C45 C50 H50 120 . . ?
C52 C51 C56 120 . . ?
C52 C51 N3 116.9(12) . . ?
C56 C51 N3 123.0(12) . . ?
C53 C52 C51 120 . . ?
C53 C52 H52 120 . . ?
C51 C52 H52 120 . . ?
C52 C53 C54 120 . . ?
C52 C53 H53 120 . . ?
C54 C53 H53 120 . . ?
C55 C54 C53 120 . . ?
C55 C54 C57 118.3(15) . . ?
C53 C54 C57 121.7(15) . . ?
C56 C55 C54 120 . . ?
C56 C55 H55 120 . . ?
C54 C55 H55 120 . . ?
C55 C56 C51 120 . . ?
C55 C56 H56 120 . . ?
C51 C56 H56 120 . . ?
C54 C57 H57A 108.6 . . ?
C54 C57 H57B 112.4 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 107.3 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 P4 C58 106.8(10) . . ?
N4 P4 C64 107.5(9) . . ?
C58 P4 C64 106.4(11) . . ?
N4 P4 C58B 100.3(13) . . ?
C64 P4 C58B 103.0(15) . . ?
N4 P4 Co4 111.8(6) . . ?
C58 P4 Co4 111.7(10) . . ?
C64 P4 Co4 112.3(8) . . ?
C58B P4 Co4 120.6(12) . . ?
C70 N4 P4 128.8(12) . . ?
C70 N4 Co8 113.4(10) . . ?
P4 N4 Co8 117.9(8) . . ?
C59 C58 C63 120 . . ?
C59 C58 P4 123.2(13) . . ?
C63 C58 P4 116.5(13) . . ?
C58 C59 C60 120 . . ?
C58 C59 H59 120 . . ?
C60 C59 H59 120 . . ?
C59 C60 C61 120 . . ?
C59 C60 H60 120 . . ?
C61 C60 H60 120 . . ?
C62 C61 C60 120 . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C63 C62 C61 120 . . ?
C63 C62 H62 120 . . ?
C61 C62 H62 120 . . ?
C62 C63 C58 120 . . ?
C62 C63 H63 120 . . ?
C58 C63 H63 120 . . ?
C65 C64 C69 120 . . ?
C65 C64 P4 121.9(11) . . ?
C69 C64 P4 117.5(11) . . ?
C66 C65 C64 120 . . ?
C66 C65 H65 120 . . ?
C64 C65 H65 120 . . ?
C65 C66 C67 120 . . ?
C65 C66 H66 120 . . ?
C67 C66 H66 120 . . ?
C68 C67 C66 120 . . ?
C68 C67 H67 120 . . ?
C66 C67 H67 120 . . ?
C67 C68 C69 120 . . ?
C67 C68 H68 120 . . ?
C69 C68 H68 120 . . ?
C68 C69 C64 120 . . ?
C68 C69 H69 120 . . ?
C64 C69 H69 120 . . ?
C71 C70 C75 120 . . ?
C71 C70 N4 121.2(14) . . ?
C75 C70 N4 118.7(14) . . ?
C72 C71 C70 120 . . ?
C72 C71 H71 120 . . ?
C70 C71 H71 120 . . ?
C73 C72 C71 120 . . ?
C73 C72 H72 120 . . ?
C71 C72 H72 120 . . ?
C72 C73 C74 120 . . ?
C72 C73 C76 127.0(16) . . ?
C74 C73 C76 112.6(16) . . ?
C75 C74 C73 120 . . ?
C75 C74 H74 120 . . ?
C73 C74 H74 120 . . ?
C74 C75 C70 120 . . ?
C74 C75 H75 120 . . ?
C70 C75 H75 120 . . ?
C73 C76 H76A 112.9 . . ?
C73 C76 H76B 109.8 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 105.7 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N5 Co9 N6 149.5(7) . . ?
N5 Co9 N9 99.0(5) . . ?
N6 Co9 N9 100.7(5) . . ?
N5 Co9 Se5 102.2(4) . . ?
N6 Co9 Se5 94.6(4) . . ?
N9 Co9 Se5 105.8(5) . . ?
C131 N9 C127 119.8(19) . . ?
C131 N9 Co9 122.0(16) . . ?
C127 N9 Co9 118.3(14) . . ?
N9 C127 C128 121(2) . . ?
N9 C127 H127 119.3 . . ?
C128 C127 H127 119.3 . . ?
C129 C128 C127 117(2) . . ?
C129 C128 H128 121.5 . . ?
C127 C128 H128 121.5 . . ?
C128 C129 C130 120(2) . . ?
C128 C129 C132 121(3) . . ?
C130 C129 C132 119(3) . . ?
C129 C130 C131 115(2) . . ?
C129 C130 H130 122.5 . . ?
C131 C130 H130 122.5 . . ?
N9 C131 C130 127(2) . . ?
N9 C131 H131 116.7 . . ?
C130 C131 H131 116.7 . . ?
C132 C132 C129 106(2) 3_666 . ?
C132 C132 H13A 110.5 3_666 . ?
C129 C132 H13A 110.5 . . ?
C132 C132 H13B 110.5 3_666 . ?
C129 C132 H13B 110.5 . . ?
H13A C132 H13B 108.7 . . ?
N5 P5 C83 105.4(8) . . ?
N5 P5 C77 103.5(8) . . ?
C83 P5 C77 103.2(8) . . ?
N5 P5 C77B 116.0(13) . . ?
C83 P5 C77B 98.9(14) . . ?
N5 P5 Co5 111.1(6) . . ?
C83 P5 Co5 117.9(7) . . ?
C77 P5 Co5 114.4(8) . . ?
C77B P5 Co5 107.4(12) . . ?
C89 N5 P5 125.3(12) . . ?
C89B N5 P5 124.3(17) . . ?
C89 N5 Co9 115.0(11) . . ?
C89B N5 Co9 117.3(16) . . ?
P5 N5 Co9 117.9(8) . . ?
C78 C77 C82 120 . . ?
C78 C77 P5 121.1(10) . . ?
C82 C77 P5 118.6(10) . . ?
C77 C78 C79 120 . . ?
C77 C78 H78 120 . . ?
C79 C78 H78 120 . . ?
C80 C79 C78 120 . . ?
C80 C79 H79 120 . . ?
C78 C79 H79 120 . . ?
C79 C80 C81 120 . . ?
C79 C80 H80 120 . . ?
C81 C80 H80 120 . . ?
C82 C81 C80 120 . . ?
C82 C81 H81 120 . . ?
C80 C81 H81 120 . . ?
C81 C82 C77 120 . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 120 . . ?
C84 C83 P5 119.0(10) . . ?
C88 C83 P5 120.8(10) . . ?
C85 C84 C83 120 . . ?
C85 C84 H84 120 . . ?
C83 C84 H84 120 . . ?
C86 C85 C84 120 . . ?
C86 C85 H85 120 . . ?
C84 C85 H85 120 . . ?
C85 C86 C87 120 . . ?
C85 C86 H86 120 . . ?
C87 C86 H86 120 . . ?
C88 C87 C86 120 . . ?
C88 C87 H87 120 . . ?
C86 C87 H87 120 . . ?
C87 C88 C83 120 . . ?
C87 C88 H88 120 . . ?
C83 C88 H88 120 . . ?
C90 C89 C94 120 . . ?
C90 C89 N5 122.1(14) . . ?
C94 C89 N5 117.9(14) . . ?
C89 C90 C91 120 . . ?
C89 C90 H90 120 . . ?
C91 C90 H90 120 . . ?
C92 C91 C90 120 . . ?
C92 C91 H91 120 . . ?
C90 C91 H91 120 . . ?
C93 C92 C91 120 . . ?
C93 C92 C95 115.3(17) . . ?
C91 C92 C95 124.5(17) . . ?
C92 C93 C94 120 . . ?
C92 C93 H93 120 . . ?
C94 C93 H93 120 . . ?
C93 C94 C89 120 . . ?
C93 C94 H94 120 . . ?
C89 C94 H94 120 . . ?
C92 C95 H95A 109.3 . . ?
C92 C95 H95B 108.2 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 110.8 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
N6 P6 C102 109.2(8) . . ?
N6 P6 C96 104.9(8) . . ?
C102 P6 C96 105.8(8) . . ?
N6 P6 Co6 113.2(6) . . ?
C102 P6 Co6 108.7(7) . . ?
C96 P6 Co6 114.6(6) . . ?
C108 N6 P6 123.3(14) . . ?
C208 N6 P6 121.2(7) . . ?
C108 N6 Co9 116.1(13) . . ?
C208 N6 Co9 119.8(7) . . ?
P6 N6 Co9 118.9(8) . . ?
C97 C96 C101 120 . . ?
C97 C96 P6 120.1(11) . . ?
C101 C96 P6 118.6(11) . . ?
C98 C97 C96 120 . . ?
C98 C97 H97 120 . . ?
C96 C97 H97 120 . . ?
C97 C98 C99 120 . . ?
C97 C98 H98 120 . . ?
C99 C98 H98 120 . . ?
C100 C99 C98 120 . . ?
C100 C99 H99 120 . . ?
C98 C99 H99 120 . . ?
C99 C100 C101 120 . . ?
C99 C100 H100 120 . . ?
C101 C100 H100 120 . . ?
C100 C101 C96 120 . . ?
C100 C101 H101 120 . . ?
C96 C101 H101 120 . . ?
C103 C102 C107 120 . . ?
C103 C102 P6 118.7(11) . . ?
C107 C102 P6 120.3(11) . . ?
C104 C103 C102 120 . . ?
C104 C103 H103 120 . . ?
C102 C103 H103 120 . . ?
C103 C104 C105 120 . . ?
C103 C104 H104 120 . . ?
C105 C104 H104 120 . . ?
C106 C105 C104 120 . . ?
C106 C105 H105 120 . . ?
C104 C105 H105 120 . . ?
C105 C106 C107 120 . . ?
C105 C106 H106 120 . . ?
C107 C106 H106 120 . . ?
C106 C107 C102 120 . . ?
C106 C107 H107 120 . . ?
C102 C107 H107 120 . . ?
C109 C108 C113 120 . . ?
C109 C108 N6 119.2(16) . . ?
C113 C108 N6 120.0(16) . . ?
C108 C109 C110 120 . . ?
C108 C109 H109 120 . . ?
C110 C109 H109 120 . . ?
C109 C110 C111 120 . . ?
C109 C110 H110 120 . . ?
C111 C110 H110 120 . . ?
C110 C111 C112 120 . . ?
C110 C111 C114 124.8(18) . . ?
C112 C111 C114 115.0(18) . . ?
C113 C112 C111 120 . . ?
C113 C112 H112 120 . . ?
C111 C112 H112 120 . . ?
C112 C113 C108 120 . . ?
C112 C113 H113 120 . . ?
C108 C113 H113 120 . . ?
C111 C114 H11A 112.6 . . ?
C111 C114 H11B 104.5 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 111.2 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
P1 Co1 Se7 104.33(19) . . ?
P1 Co1 Se2 93.34(17) . . ?
Se7 Co1 Se2 88.30(10) . . ?
P1 Co1 Se6 107.94(18) . . ?
Se7 Co1 Se6 86.40(11) . . ?
Se2 Co1 Se6 158.72(15) . . ?
P1 Co1 Se1 96.21(17) . . ?
Se7 Co1 Se1 159.38(15) . . ?
Se2 Co1 Se1 92.34(12) . . ?
Se6 Co1 Se1 85.57(11) . . ?
P1 Co1 Co2 126.10(18) . . ?
Se7 Co1 Co2 113.56(12) . . ?
Se2 Co1 Co2 52.85(9) . . ?
Se6 Co1 Co2 111.22(13) . . ?
Se1 Co1 Co2 52.78(9) . . ?
P1 Co1 Co3 132.34(18) . . ?
Se7 Co1 Co3 51.91(9) . . ?
Se2 Co1 Co3 51.67(9) . . ?
Se6 Co1 Co3 110.23(12) . . ?
Se1 Co1 Co3 114.02(13) . . ?
Co2 Co1 Co3 62.08(9) . . ?
P1 Co1 Co5 142.1(2) . . ?
Se7 Co1 Co5 50.67(9) . . ?
Se2 Co1 Co5 111.22(12) . . ?
Se6 Co1 Co5 50.79(9) . . ?
Se1 Co1 Co5 110.56(12) . . ?
Co2 Co1 Co5 91.78(12) . . ?
Co3 Co1 Co5 59.82(9) . . ?
P1 Co1 Co6 137.57(17) . . ?
Se7 Co1 Co6 109.47(11) . . ?
Se2 Co1 Co6 112.27(14) . . ?
Se6 Co1 Co6 51.03(10) . . ?
Se1 Co1 Co6 51.53(8) . . ?
Co2 Co1 Co6 60.36(10) . . ?
Co3 Co1 Co6 89.34(11) . . ?
Co5 Co1 Co6 59.10(9) . . ?
P2 Co2 Se8 104.8(2) . . ?
P2 Co2 Se3 107.6(2) . . ?
Se8 Co2 Se3 86.66(12) . . ?
P2 Co2 Se2 97.7(2) . . ?
Se8 Co2 Se2 157.48(15) . . ?
Se3 Co2 Se2 84.70(10) . . ?
P2 Co2 Se1 93.29(18) . . ?
Se8 Co2 Se1 88.62(12) . . ?
Se3 Co2 Se1 159.11(15) . . ?
Se2 Co2 Se1 92.09(12) . . ?
P2 Co2 Co1 127.0(2) . . ?
Se8 Co2 Co1 112.79(13) . . ?
Se3 Co2 Co1 110.58(12) . . ?
Se2 Co2 Co1 52.10(9) . . ?
Se1 Co2 Co1 53.21(9) . . ?
P2 Co2 Co6 132.80(19) . . ?
Se8 Co2 Co6 51.86(11) . . ?
Se3 Co2 Co6 110.40(12) . . ?
Se2 Co2 Co6 112.60(14) . . ?
Se1 Co2 Co6 52.09(9) . . ?
Co1 Co2 Co6 61.44(10) . . ?
P2 Co2 Co4 142.1(2) . . ?
Se8 Co2 Co4 51.07(9) . . ?
Se3 Co2 Co4 50.46(9) . . ?
Se2 Co2 Co4 108.52(11) . . ?
Se1 Co2 Co4 112.11(12) . . ?
Co1 Co2 Co4 90.92(11) . . ?
Co6 Co2 Co4 60.32(10) . . ?
P2 Co2 Co3 137.7(2) . . ?
Se8 Co2 Co3 108.71(12) . . ?
Se3 Co2 Co3 50.79(9) . . ?
Se2 Co2 Co3 50.58(8) . . ?
Se1 Co2 Co3 112.33(13) . . ?
Co1 Co2 Co3 59.93(9) . . ?
Co6 Co2 Co3 88.75(11) . . ?
Co4 Co2 Co3 58.02(9) . . ?
P3 Co3 Se2 109.9(2) . . ?
P3 Co3 Se3 99.0(2) . . ?
Se2 Co3 Se3 84.77(12) . . ?
P3 Co3 Se7 103.9(2) . . ?
Se2 Co3 Se7 87.36(12) . . ?
Se3 Co3 Se7 157.07(14) . . ?
P3 Co3 Se4 89.6(2) . . ?
Se2 Co3 Se4 160.42(14) . . ?
Se3 Co3 Se4 90.85(13) . . ?
Se7 Co3 Se4 89.40(13) . . ?
P3 Co3 Co4 125.0(2) . . ?
Se2 Co3 Co4 111.36(12) . . ?
Se3 Co3 Co4 51.61(11) . . ?
Se7 Co3 Co4 112.64(14) . . ?
Se4 Co3 Co4 52.68(9) . . ?
P3 Co3 Co1 143.4(2) . . ?
Se2 Co3 Co1 51.26(8) . . ?
Se3 Co3 Co1 108.44(12) . . ?
Se7 Co3 Co1 51.09(9) . . ?
Se4 Co3 Co1 113.11(13) . . ?
Co4 Co3 Co1 91.30(11) . . ?
P3 Co3 Co5 128.9(2) . . ?
Se2 Co3 Co5 111.59(12) . . ?
Se3 Co3 Co5 112.97(13) . . ?
Se7 Co3 Co5 50.89(10) . . ?
Se4 Co3 Co5 52.99(10) . . ?
Co4 Co3 Co5 62.29(11) . . ?
Co1 Co3 Co5 60.60(9) . . ?
P3 Co3 Co2 140.2(2) . . ?
Se2 Co3 Co2 50.89(9) . . ?
Se3 Co3 Co2 50.58(9) . . ?
Se7 Co3 Co2 108.70(11) . . ?
Se4 Co3 Co2 112.59(13) . . ?
Co4 Co3 Co2 60.56(9) . . ?
Co1 Co3 Co2 58.00(9) . . ?
Co5 Co3 Co2 89.86(10) . . ?
P4 Co4 Se3 94.2(2) . . ?
P4 Co4 Se8 102.9(2) . . ?
Se3 Co4 Se8 87.04(12) . . ?
P4 Co4 Se4 98.1(2) . . ?
Se3 Co4 Se4 91.55(13) . . ?
Se8 Co4 Se4 158.96(17) . . ?
P4 Co4 Se5 108.2(2) . . ?
Se3 Co4 Se5 157.58(17) . . ?
Se8 Co4 Se5 87.57(12) . . ?
Se4 Co4 Se5 85.79(13) . . ?
P4 Co4 Co3 128.2(2) . . ?
Se3 Co4 Co3 52.51(10) . . ?
Se8 Co4 Co3 111.93(13) . . ?
Se4 Co4 Co3 52.67(9) . . ?
Se5 Co4 Co3 110.27(15) . . ?
P4 Co4 Co6 141.5(2) . . ?
Se3 Co4 Co6 110.06(12) . . ?
Se8 Co4 Co6 51.36(11) . . ?
Se4 Co4 Co6 110.20(15) . . ?
Se5 Co4 Co6 51.03(9) . . ?
Co3 Co4 Co6 90.14(12) . . ?
P4 Co4 Co2 131.5(3) . . ?
Se3 Co4 Co2 51.11(9) . . ?
Se8 Co4 Co2 50.92(9) . . ?
Se4 Co4 Co2 113.43(13) . . ?
Se5 Co4 Co2 110.00(13) . . ?
Co3 Co4 Co2 61.42(9) . . ?
Co6 Co4 Co2 59.33(9) . . ?
P4 Co4 Co5 139.2(2) . . ?
Se3 Co4 Co5 111.24(14) . . ?
Se8 Co4 Co5 109.50(14) . . ?
Se4 Co4 Co5 51.79(10) . . ?
Se5 Co4 Co5 50.85(10) . . ?
Co3 Co4 Co5 59.63(10) . . ?
Co6 Co4 Co5 58.53(10) . . ?
Co2 Co4 Co5 88.87(11) . . ?
P5 Co5 Se7 103.9(2) . . ?
P5 Co5 Se6 93.3(2) . . ?
Se7 Co5 Se6 86.91(12) . . ?
P5 Co5 Se5 98.3(2) . . ?
Se7 Co5 Se5 157.82(16) . . ?
Se6 Co5 Se5 90.11(12) . . ?
P5 Co5 Se4 108.61(19) . . ?
Se7 Co5 Se4 89.11(12) . . ?
Se6 Co5 Se4 158.01(16) . . ?
Se5 Co5 Se4 85.47(14) . . ?
P5 Co5 Co6 127.1(2) . . ?
Se7 Co5 Co6 111.04(12) . . ?
Se6 Co5 Co6 51.82(10) . . ?
Se5 Co5 Co6 51.82(9) . . ?
Se4 Co5 Co6 110.37(15) . . ?
P5 Co5 Co3 142.7(2) . . ?
Se7 Co5 Co3 51.82(10) . . ?
Se6 Co5 Co3 110.54(11) . . ?
Se5 Co5 Co3 109.53(15) . . ?
Se4 Co5 Co3 51.70(9) . . ?
Co6 Co5 Co3 90.05(11) . . ?
P5 Co5 Co1 131.6(2) . . ?
Se7 Co5 Co1 50.78(8) . . ?
Se6 Co5 Co1 51.34(8) . . ?
Se5 Co5 Co1 111.69(12) . . ?
Se4 Co5 Co1 110.83(13) . . ?
Co6 Co5 Co1 60.57(9) . . ?
Co3 Co5 Co1 59.58(8) . . ?
P5 Co5 Co4 139.3(2) . . ?
Se7 Co5 Co4 109.39(13) . . ?
Se6 Co5 Co4 110.93(13) . . ?
Se5 Co5 Co4 51.65(11) . . ?
Se4 Co5 Co4 50.57(10) . . ?
Co6 Co5 Co4 59.92(10) . . ?
Co3 Co5 Co4 58.09(10) . . ?
Co1 Co5 Co4 88.32(11) . . ?
P6 Co6 Se6 97.9(3) . . ?
P6 Co6 Se8 104.6(3) . . ?
Se6 Co6 Se8 157.47(15) . . ?
P6 Co6 Se5 91.2(2) . . ?
Se6 Co6 Se5 90.29(13) . . ?
Se8 Co6 Se5 88.42(14) . . ?
P6 Co6 Se1 108.1(2) . . ?
Se6 Co6 Se1 85.78(13) . . ?
Se8 Co6 Se1 88.02(12) . . ?
Se5 Co6 Se1 160.65(14) . . ?
P6 Co6 Co5 125.5(2) . . ?
Se6 Co6 Co5 51.37(10) . . ?
Se8 Co6 Co5 112.14(13) . . ?
Se5 Co6 Co5 52.50(9) . . ?
Se1 Co6 Co5 111.95(13) . . ?
P6 Co6 Co2 143.2(2) . . ?
Se6 Co6 Co2 109.19(13) . . ?
Se8 Co6 Co2 51.33(10) . . ?
Se5 Co6 Co2 112.50(13) . . ?
Se1 Co6 Co2 51.84(8) . . ?
Co5 Co6 Co2 91.22(11) . . ?
P6 Co6 Co4 130.9(3) . . ?
Se6 Co6 Co4 112.11(12) . . ?
Se8 Co6 Co4 51.00(10) . . ?
Se5 Co6 Co4 52.51(10) . . ?
Se1 Co6 Co4 111.90(12) . . ?
Co5 Co6 Co4 61.56(10) . . ?
Co2 Co6 Co4 60.35(9) . . ?
P6 Co6 Co1 139.0(3) . . ?
Se6 Co6 Co1 51.15(9) . . ?
Se8 Co6 Co1 109.05(13) . . ?
Se5 Co6 Co1 112.12(12) . . ?
Se1 Co6 Co1 51.70(9) . . ?
Co5 Co6 Co1 60.33(9) . . ?
Co2 Co6 Co1 58.20(9) . . ?
Co4 Co6 Co1 89.09(10) . . ?
Co2 Se1 Co6 76.08(11) . . ?
Co2 Se1 Co1 74.01(11) . . ?
Co6 Se1 Co1 76.77(11) . . ?
Co2 Se1 Co7 91.13(11) . . ?
Co6 Se1 Co7 164.06(12) . . ?
Co1 Se1 Co7 90.72(11) . . ?
Co1 Se2 Co3 77.08(11) . . ?
Co1 Se2 Co2 75.06(11) . . ?
Co3 Se2 Co2 78.53(11) . . ?
Co4 Se3 Co2 78.43(12) . . ?
Co4 Se3 Co3 75.88(13) . . ?
Co2 Se3 Co3 78.63(12) . . ?
Co3 Se4 Co4 74.64(11) . . ?
Co3 Se4 Co5 75.31(11) . . ?
Co4 Se4 Co5 77.63(12) . . ?
Co3 Se4 Co8 91.41(13) . . ?
Co4 Se4 Co8 89.45(14) . . ?
Co5 Se4 Co8 163.44(14) . . ?
Co6 Se5 Co5 75.67(12) . . ?
Co6 Se5 Co4 76.46(12) . . ?
Co5 Se5 Co4 77.51(13) . . ?
Co6 Se5 Co9 90.39(14) . . ?
Co5 Se5 Co9 88.18(15) . . ?
Co4 Se5 Co9 162.50(15) . . ?
Co5 Se6 Co6 76.81(13) . . ?
Co5 Se6 Co1 77.88(11) . . ?
Co6 Se6 Co1 77.82(12) . . ?
Co5 Se7 Co1 78.54(11) . . ?
Co5 Se7 Co3 77.30(13) . . ?
Co1 Se7 Co3 77.00(11) . . ?
Co2 Se8 Co4 78.01(12) . . ?
Co2 Se8 Co6 76.81(13) . . ?
Co4 Se8 Co6 77.64(13) . . ?
C21B C20B C25B 120 . . ?
C21B C20B P2 115.4(16) . . ?
C25B C20B P2 124.2(16) . . ?
C22B C21B C20B 120 . . ?
C22B C21B H21B 120 . . ?
C20B C21B H21B 120 . . ?
C21B C22B C23B 120 . . ?
C21B C22B H22B 120 . . ?
C23B C22B H22B 120 . . ?
C24B C23B C22B 120 . . ?
C24B C23B H23B 120 . . ?
C22B C23B H23B 120 . . ?
C23B C24B C25B 120 . . ?
C23B C24B H24B 120 . . ?
C25B C24B H24B 120 . . ?
C24B C25B C20B 120 . . ?
C24B C25B H25B 120 . . ?
C20B C25B H25B 120 . . ?
C27B C26B C31B 120 . . ?
C27B C26B P2 121.0(18) . . ?
C31B C26B P2 117.3(18) . . ?
C28B C27B C26B 120 . . ?
C28B C27B H27B 120 . . ?
C26B C27B H27B 120 . . ?
C27B C28B C29B 120 . . ?
C27B C28B H28B 120 . . ?
C29B C28B H28B 120 . . ?
C30B C29B C28B 120 . . ?
C30B C29B H29B 120 . . ?
C28B C29B H29B 120 . . ?
C29B C30B C31B 120 . . ?
C29B C30B H30B 120 . . ?
C31B C30B H30B 120 . . ?
C30B C31B C26B 120 . . ?
C30B C31B H31B 120 . . ?
C26B C31B H31B 120 . . ?
C59B C58B C63B 120 . . ?
C59B C58B P4 126(3) . . ?
C63B C58B P4 114(3) . . ?
C60B C59B C58B 120 . . ?
C60B C59B H59B 120 . . ?
C58B C59B H59B 120 . . ?
C59B C60B C61B 120 . . ?
C59B C60B H60B 120 . . ?
C61B C60B H60B 120 . . ?
C62B C61B C60B 120 . . ?
C62B C61B H61B 120 . . ?
C60B C61B H61B 120 . . ?
C61B C62B C63B 120 . . ?
C61B C62B H62B 120 . . ?
C63B C62B H62B 120 . . ?
C62B C63B C58B 120 . . ?
C62B C63B H63B 120 . . ?
C58B C63B H63B 120 . . ?
C78B C77B C82B 120 . . ?
C78B C77B P5 125(2) . . ?
C82B C77B P5 115(2) . . ?
C77B C78B C79B 120 . . ?
C77B C78B H78B 120 . . ?
C79B C78B H78B 120 . . ?
C80B C79B C78B 120 . . ?
C80B C79B H79B 120 . . ?
C78B C79B H79B 120 . . ?
C79B C80B C81B 120 . . ?
C79B C80B H80B 120 . . ?
C81B C80B H80B 120 . . ?
C82B C81B C80B 120 . . ?
C82B C81B H81B 120 . . ?
C80B C81B H81B 120 . . ?
C81B C82B C77B 120 . . ?
C81B C82B H82B 120 . . ?
C77B C82B H82B 120 . . ?
C90B C89B C94B 120 . . ?
C90B C89B N5 120(2) . . ?
C94B C89B N5 120(2) . . ?
C89B C90B C91B 120 . . ?
C89B C90B H90B 120 . . ?
C91B C90B H90B 120 . . ?
C92B C91B C90B 120 . . ?
C92B C91B H91B 120 . . ?
C90B C91B H91B 120 . . ?
C91B C92B C93B 120 . . ?
C91B C92B C95B 122.5(17) . . ?
C93B C92B C95B 117.5(17) . . ?
C94B C93B C92B 120 . . ?
C94B C93B H93B 120 . . ?
C92B C93B H93B 120 . . ?
C93B C94B C89B 120 . . ?
C93B C94B H94B 120 . . ?
C89B C94B H94B 120 . . ?
C92B C95B H95D 108.8 . . ?
C92B C95B H95E 110.5 . . ?
H95D C95B H95E 109.5 . . ?
C92B C95B H95F 109.1 . . ?
H95D C95B H95F 109.5 . . ?
H95E C95B H95F 109.5 . . ?
C209 C208 C213 120 . . ?
C209 C208 N6 113(2) . . ?
C213 C208 N6 127(2) . . ?
C208 C209 C210 120 . . ?
C208 C209 H209 120 . . ?
C210 C209 H209 120 . . ?
C211 C210 C209 120 . . ?
C211 C210 H210 120 . . ?
C209 C210 H210 120 . . ?
C210 C211 C212 120 . . ?
C210 C211 C214 121.6(17) . . ?
C212 C211 C214 118.4(17) . . ?
C213 C212 C211 120 . . ?
C213 C212 H212 120 . . ?
C211 C212 H212 120 . . ?
C212 C213 C208 120 . . ?
C212 C213 H213 120 . . ?
C208 C213 H213 120 . . ?
C211 C214 H21A 109.5 . . ?
C211 C214 H21C 109.6 . . ?
H21A C214 H21C 109.5 . . ?
C211 C214 H21D 109.3 . . ?
H21A C214 H21D 109.5 . . ?
H21C C214 H21D 109.5 . . ?


#----------------------------------------------------------------------------#
#                   SQUEEZE DETAILS                                          #
#----------------------------------------------------------------------------#

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx_CCDC4
_database_code_depnum_ccdc_archive 'CCDC 2012112'
loop_
_audit_author_name
_audit_author_address
'Werner Kaminsky'
;University of Washington, Department of Chemistry
United States of America
;
_audit_update_record             
;
2020-06-24 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_RINTA01_shelx               
;
PROBLEM: The value of Rint is greater than 0.25
RESPONSE: Because of a very small sample, diffraction was weak and stretched the signal to noise ratio of our diffractometer to its limits. We, however, believe in our model to be complete and accurate.
;
_vrf_PLAT020_shelx               
;
PROBLEM: The Value of Rint is Greater Than 0.12 .........      0.350 Report
RESPONSE: See above.
;
_vrf_PLAT026_shelx               
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        24% Check
RESPONSE: See above.
;
_vrf_PLAT029_shelx               
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.911 Why?
RESPONSE: See above.
;
_vrf_PLAT084_shelx               
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.53 Report
RESPONSE: See above.
;
# Added during the CSD deposition process: Wednesday 24 June 2020 09:43 PM
# end Validation Reply Form


_audit_creation_date             2019-09-16T11:27:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C258 H228 Co18 N18 P12 Se16'
_chemical_formula_sum            'C258 H228 Co18 N18 P12 Se16'
_chemical_formula_weight         6276.31

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.0473(13)
_cell_length_b                   28.0304(18)
_cell_length_c                   30.824(3)
_cell_angle_alpha                109.902(5)
_cell_angle_beta                 97.084(5)
_cell_angle_gamma                102.271(4)
_cell_volume                     14773.8(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    4337
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      15.14
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       piece
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6224

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.51
_exptl_absorpt_correction_T_max  0.745
_shelx_estimated_absorpt_T_min   0.609
_shelx_estimated_absorpt_T_max   0.862

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'sealed x-ray tube'
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'APEX-II CCD'
_diffrn_orient_matrix_ub_11      0.009429
_diffrn_orient_matrix_ub_12      -0.005926
_diffrn_orient_matrix_ub_13      0.030147
_diffrn_orient_matrix_ub_21      0.041692
_diffrn_orient_matrix_ub_22      0.032895
_diffrn_orient_matrix_ub_23      0.013479
_diffrn_orient_matrix_ub_31      -0.034594
_diffrn_orient_matrix_ub_32      0.02093
_diffrn_orient_matrix_ub_33      0.012508
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.3504
_diffrn_reflns_av_unetI/netI     0.7904
_diffrn_reflns_number            87290
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.353
_diffrn_reflns_theta_max         25.545
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.881
_diffrn_reflns_Laue_measured_fraction_full 0.911
_diffrn_reflns_Laue_measured_fraction_max 0.881
_diffrn_reflns_point_group_measured_fraction_full 0.911
_diffrn_reflns_point_group_measured_fraction_max 0.881
_reflns_Friedel_coverage         0
_reflns_number_total             48703
_reflns_number_gt                11662
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 software'
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_primary     direct
_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         48703
_refine_ls_number_parameters     2407
_refine_ls_number_restraints     6251
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.4204
_refine_ls_R_factor_gt           0.1683
_refine_ls_wR_factor_ref         0.5253
_refine_ls_wR_factor_gt          0.3907
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.629
_refine_diff_density_min         -1.813
_refine_diff_density_rms         0.274

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
P P 0.1023 0.0942 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co13 Co 1.1728(3) -0.41254(19) 0.6521(2) 0.0508(17) Uani 1 1 d D . . . .
N13 N 1.1353(9) -0.3453(6) 0.6786(8) 0.056(6) Uani 1 1 d D U . . .
C229 C 1.1189(10) -0.3170(8) 0.6518(9) 0.058(6) Uani 1 1 d D U . . .
H229 H 1.1248 -0.3273 0.6201 0.069 Uiso 1 1 calc R U . . .
C230 C 1.0933(11) -0.2727(9) 0.6719(10) 0.062(6) Uani 1 1 d D U . . .
H230 H 1.082 -0.2533 0.6534 0.074 Uiso 1 1 calc R U . . .
C231 C 1.0840(12) -0.2566(9) 0.7182(10) 0.061(5) Uani 1 1 d D U . . .
C232 C 1.1008(13) -0.2856(9) 0.7450(9) 0.059(6) Uani 1 1 d D U . . .
H232 H 1.0951 -0.2757 0.7768 0.071 Uiso 1 1 calc R U . . .
C233 C 1.1260(12) -0.3290(9) 0.7243(8) 0.060(6) Uani 1 1 d D U . . .
H233 H 1.1374 -0.3486 0.7427 0.072 Uiso 1 1 calc R U . . .
P1 P 1.0807(5) -0.5091(3) 0.6643(4) 0.048(2) Uani 1 1 d D U . . .
N1 N 1.0862(9) -0.4697(7) 0.6330(7) 0.052(4) Uani 1 1 d D U . . .
C1 C 1.0270(11) -0.5755(5) 0.6226(6) 0.046(5) Uani 1 1 d DG U . . .
C2 C 0.9766(11) -0.6100(7) 0.6347(6) 0.059(6) Uani 1 1 d DG U . . .
H2 H 0.964 -0.5983 0.6647 0.071 Uiso 1 1 calc R U . . .
C3 C 0.9446(11) -0.6615(6) 0.6029(8) 0.050(6) Uani 1 1 d DG U . . .
H3 H 0.9102 -0.685 0.6111 0.06 Uiso 1 1 calc R U . . .
C4 C 0.9630(13) -0.6785(5) 0.5590(8) 0.065(7) Uani 1 1 d DG U . . .
H4 H 0.9412 -0.7137 0.5372 0.078 Uiso 1 1 calc R U . . .
C5 C 1.0134(13) -0.6441(8) 0.5469(6) 0.072(7) Uani 1 1 d DG U . . .
H5 H 1.026 -0.6557 0.5168 0.087 Uiso 1 1 calc R U . . .
C6 C 1.0454(11) -0.5926(7) 0.5787(7) 0.061(6) Uani 1 1 d DG U . . .
H6 H 1.0798 -0.569 0.5704 0.073 Uiso 1 1 calc R U . . .
C7 C 1.0242(11) -0.4875(8) 0.7081(6) 0.052(5) Uani 1 1 d DG U . . .
C8 C 1.0114(12) -0.5129(7) 0.7391(7) 0.048(5) Uani 1 1 d DG U . . .
H8 H 1.0265 -0.544 0.7355 0.058 Uiso 1 1 calc R U . . .
C9 C 0.9763(13) -0.4929(9) 0.7755(7) 0.068(6) Uani 1 1 d DG U . . .
H9 H 0.9675 -0.5103 0.7967 0.081 Uiso 1 1 calc R U . . .
C10 C 0.9542(12) -0.4474(10) 0.7808(7) 0.064(6) Uani 1 1 d DG U . . .
H10 H 0.9302 -0.4337 0.8057 0.077 Uiso 1 1 calc R U . . .
C11 C 0.9670(12) -0.4220(8) 0.7498(8) 0.070(6) Uani 1 1 d DG U . . .
H11 H 0.9519 -0.3909 0.7534 0.084 Uiso 1 1 calc R U . . .
C12 C 1.0021(12) -0.4420(8) 0.7134(7) 0.052(5) Uani 1 1 d DG U . . .
H12 H 1.0109 -0.4247 0.6922 0.062 Uiso 1 1 calc R U . . .
C13 C 1.0235(9) -0.4691(9) 0.6004(7) 0.055(5) Uani 1 1 d DG U . . .
C14 C 0.9529(10) -0.4998(8) 0.5950(7) 0.060(6) Uani 1 1 d DG U . . .
H14 H 0.9436 -0.519 0.6148 0.072 Uiso 1 1 calc R U . . .
C15 C 0.8960(8) -0.5025(8) 0.5606(8) 0.059(5) Uani 1 1 d DG U . . .
H15 H 0.8478 -0.5235 0.5569 0.071 Uiso 1 1 calc R U . . .
C16 C 0.9097(10) -0.4744(9) 0.5316(7) 0.058(6) Uani 1 1 d DG U . . .
C17 C 0.9803(11) -0.4437(8) 0.5370(7) 0.053(5) Uani 1 1 d DG U . . .
H17 H 0.9896 -0.4246 0.5172 0.063 Uiso 1 1 calc R U . . .
C18 C 1.0372(9) -0.4410(8) 0.5714(8) 0.059(5) Uani 1 1 d DG U . . .
H18 H 1.0854 -0.4201 0.5751 0.07 Uiso 1 1 calc R U . . .
C19 C 0.8477(15) -0.4737(15) 0.4951(12) 0.075(9) Uani 1 1 d D U . . .
H19A H 0.8443 -0.4375 0.5025 0.112 Uiso 1 1 d R U . . .
H19B H 0.801 -0.4959 0.496 0.112 Uiso 1 1 d R U . . .
H19C H 0.8579 -0.4874 0.4634 0.112 Uiso 1 1 d R U . . .
P2 P 1.3422(5) -0.3863(4) 0.6628(4) 0.051(2) Uani 1 1 d D U . . .
N2 N 1.2621(7) -0.3849(8) 0.6347(7) 0.056(4) Uani 1 1 d D U . . .
C20 C 1.4049(10) -0.3911(8) 0.6215(7) 0.058(5) Uani 1 1 d DG U . . .
C21 C 1.4602(11) -0.3476(7) 0.6256(7) 0.066(7) Uani 1 1 d DG U . . .
H21 H 1.4683 -0.315 0.6513 0.08 Uiso 1 1 calc R U . . .
C22 C 1.5037(11) -0.3518(9) 0.5922(9) 0.072(7) Uani 1 1 d DG U . . .
H22 H 1.5415 -0.3221 0.595 0.086 Uiso 1 1 calc R U . . .
C23 C 1.4918(13) -0.3996(10) 0.5547(7) 0.065(7) Uani 1 1 d DG U . . .
H23 H 1.5216 -0.4024 0.5318 0.078 Uiso 1 1 calc R U . . .
C24 C 1.4365(14) -0.4431(8) 0.5506(7) 0.069(7) Uani 1 1 d DG U . . .
H24 H 1.4284 -0.4757 0.525 0.082 Uiso 1 1 calc R U . . .
C25 C 1.3930(11) -0.4389(7) 0.5840(8) 0.072(7) Uani 1 1 d DG U . . .
H25 H 1.3552 -0.4686 0.5813 0.086 Uiso 1 1 calc R U . . .
C26 C 1.3850(10) -0.3226(7) 0.7128(6) 0.057(6) Uani 1 1 d DG U . . .
C27 C 1.3407(9) -0.2929(8) 0.7351(8) 0.069(7) Uani 1 1 d DG U . . .
H27 H 1.2898 -0.302 0.7215 0.083 Uiso 1 1 calc R U . . .
C28 C 1.3708(14) -0.2497(8) 0.7772(8) 0.083(7) Uani 1 1 d DG U . . .
H28 H 1.3405 -0.2294 0.7924 0.1 Uiso 1 1 calc R U . . .
C29 C 1.4453(15) -0.2363(8) 0.7971(6) 0.081(8) Uani 1 1 d DG U . . .
H29 H 1.4659 -0.2068 0.8259 0.097 Uiso 1 1 calc R U . . .
C30 C 1.4896(10) -0.2661(9) 0.7749(8) 0.070(7) Uani 1 1 d DG U . . .
H30 H 1.5405 -0.2569 0.7885 0.084 Uiso 1 1 calc R U . . .
C31 C 1.4595(10) -0.3092(8) 0.7327(7) 0.055(6) Uani 1 1 d DG U . . .
H31 H 1.4898 -0.3296 0.7175 0.066 Uiso 1 1 calc R U . . .
C32 C 1.2601(11) -0.3540(8) 0.6044(7) 0.057(6) Uani 1 1 d DG U . . .
C33 C 1.2168(12) -0.3801(7) 0.5591(7) 0.065(6) Uani 1 1 d DG U . . .
H33 H 1.1936 -0.4168 0.5479 0.078 Uiso 1 1 calc R U . . .
C34 C 1.2075(12) -0.3523(8) 0.5300(6) 0.064(6) Uani 1 1 d DG U . . .
H34 H 1.1779 -0.3701 0.499 0.077 Uiso 1 1 calc R U . . .
C35 C 1.2415(13) -0.2986(8) 0.5463(7) 0.063(6) Uani 1 1 d DG U . . .
C36 C 1.2847(12) -0.2725(6) 0.5916(8) 0.060(6) Uani 1 1 d DG U . . .
H36 H 1.308 -0.2358 0.6028 0.072 Uiso 1 1 calc R U . . .
C37 C 1.2940(11) -0.3002(8) 0.6207(6) 0.070(6) Uani 1 1 d DG U . . .
H37 H 1.3236 -0.2825 0.6517 0.084 Uiso 1 1 calc R U . . .
C38 C 1.225(2) -0.2656(12) 0.5172(12) 0.079(9) Uani 1 1 d D U . . .
H38A H 1.1938 -0.2437 0.5319 0.118 Uiso 1 1 d R U . . .
H38B H 1.1989 -0.2894 0.485 0.118 Uiso 1 1 d R U . . .
H38C H 1.2709 -0.2429 0.5161 0.118 Uiso 1 1 d R U . . .
Co14 Co 1.4592(3) -0.6025(2) 0.6835(2) 0.0563(18) Uani 1 1 d D . . . .
N14 N 1.4758(15) -0.6603(8) 0.7079(8) 0.065(6) Uani 1 1 d D U . . .
C234 C 1.470(2) -0.6559(12) 0.7532(10) 0.071(6) Uani 1 1 d D U . . .
H234 H 1.456 -0.6266 0.7729 0.086 Uiso 1 1 calc R U . . .
C235 C 1.484(2) -0.6940(13) 0.7706(10) 0.071(7) Uani 1 1 d D U . . .
H235 H 1.475 -0.692 0.8008 0.085 Uiso 1 1 calc R U . . .
C236 C 1.510(2) -0.7347(13) 0.7439(12) 0.079(7) Uani 1 1 d D U . . .
C237 C 1.512(2) -0.7402(12) 0.6976(12) 0.082(7) Uani 1 1 d D U . . .
H237 H 1.5238 -0.7701 0.6771 0.098 Uiso 1 1 calc R U . . .
C238 C 1.497(2) -0.7028(11) 0.6810(10) 0.076(7) Uani 1 1 d D U . . .
H238 H 1.5021 -0.7064 0.6497 0.091 Uiso 1 1 calc R U . . .
P3 P 1.3199(5) -0.6274(4) 0.6052(4) 0.051(2) Uani 1 1 d D U . . .
N3 N 1.4050(8) -0.6338(8) 0.6200(5) 0.050(4) Uani 1 1 d D U . . .
C39 C 1.2515(9) -0.6896(6) 0.5960(8) 0.058(5) Uani 1 1 d DG U . . .
C40 C 1.1773(10) -0.6950(7) 0.5813(8) 0.050(6) Uani 1 1 d DG U . . .
H40 H 1.1621 -0.6671 0.5757 0.06 Uiso 1 1 calc R U . . .
C41 C 1.1252(8) -0.7413(9) 0.5747(9) 0.066(6) Uani 1 1 d DG U . . .
H41 H 1.0745 -0.7451 0.5646 0.079 Uiso 1 1 calc R U . . .
C42 C 1.1474(12) -0.7822(7) 0.5829(10) 0.077(7) Uani 1 1 d DG U . . .
H42 H 1.1119 -0.8139 0.5784 0.092 Uiso 1 1 calc R U . . .
C43 C 1.2217(13) -0.7768(7) 0.5976(10) 0.078(7) Uani 1 1 d DG U . . .
H43 H 1.2369 -0.8048 0.6032 0.093 Uiso 1 1 calc R U . . .
C44 C 1.2737(9) -0.7305(8) 0.6042(9) 0.068(6) Uani 1 1 d DG U . . .
H44 H 1.3244 -0.7268 0.6143 0.082 Uiso 1 1 calc R U . . .
C45 C 1.3098(12) -0.6299(8) 0.5435(5) 0.051(5) Uani 1 1 d DG U . . .
C46 C 1.3161(12) -0.5837(7) 0.5350(6) 0.057(6) Uani 1 1 d DG U . . .
H46 H 1.3244 -0.551 0.5606 0.069 Uiso 1 1 calc R U . . .
C47 C 1.3104(13) -0.5853(8) 0.4891(8) 0.058(6) Uani 1 1 d DG U . . .
H47 H 1.3147 -0.5537 0.4833 0.07 Uiso 1 1 calc R U . . .
C48 C 1.2982(13) -0.6331(10) 0.4517(5) 0.067(7) Uani 1 1 d DG U . . .
H48 H 1.2943 -0.6343 0.4203 0.08 Uiso 1 1 calc R U . . .
C49 C 1.2919(13) -0.6794(8) 0.4601(6) 0.070(6) Uani 1 1 d DG U . . .
H49 H 1.2836 -0.7121 0.4346 0.084 Uiso 1 1 calc R U . . .
C50 C 1.2977(13) -0.6777(7) 0.5061(7) 0.069(6) Uani 1 1 d DG U . . .
H50 H 1.2934 -0.7093 0.5118 0.083 Uiso 1 1 calc R U . . .
C51 C 1.4510(10) -0.6442(8) 0.5846(7) 0.055(5) Uani 1 1 d DG U . . .
C52 C 1.4879(12) -0.6014(7) 0.5755(8) 0.068(6) Uani 1 1 d DG U . . .
H52 H 1.4728 -0.5699 0.5844 0.081 Uiso 1 1 calc R U . . .
C53 C 1.5471(12) -0.6048(8) 0.5535(9) 0.073(6) Uani 1 1 d DG U . . .
H53 H 1.5724 -0.5755 0.5473 0.087 Uiso 1 1 calc R U . . .
C54 C 1.5694(11) -0.6509(10) 0.5406(9) 0.077(7) Uani 1 1 d DG U . . .
C55 C 1.5324(12) -0.6937(8) 0.5497(9) 0.068(6) Uani 1 1 d DG U . . .
H55 H 1.5475 -0.7252 0.5408 0.082 Uiso 1 1 calc R U . . .
C56 C 1.4732(12) -0.6903(7) 0.5717(8) 0.067(6) Uani 1 1 d DG U . . .
H56 H 1.4479 -0.7196 0.5779 0.081 Uiso 1 1 calc R U . . .
C57 C 1.6397(17) -0.6554(15) 0.5206(16) 0.092(10) Uani 1 1 d D U . . .
H57A H 1.6829 -0.6324 0.5454 0.138 Uiso 1 1 d R U . . .
H57B H 1.6381 -0.6443 0.4937 0.138 Uiso 1 1 d R U . . .
H57C H 1.6426 -0.6919 0.5104 0.138 Uiso 1 1 d R U . . .
P4 P 1.5220(5) -0.4906(4) 0.7590(3) 0.047(2) Uani 1 1 d D U . . .
N4 N 1.5423(8) -0.5417(6) 0.7195(7) 0.052(4) Uani 1 1 d D U . . .
C58 C 1.5538(12) -0.4927(8) 0.8174(5) 0.055(5) Uani 1 1 d DG U . . .
C59 C 1.5917(13) -0.5290(8) 0.8206(6) 0.057(6) Uani 1 1 d DG U . . .
H59 H 1.598 -0.5544 0.7928 0.068 Uiso 1 1 calc R U . . .
C60 C 1.6205(12) -0.5282(9) 0.8647(8) 0.065(6) Uani 1 1 d DG U . . .
H60 H 1.6464 -0.553 0.8669 0.078 Uiso 1 1 calc R U . . .
C61 C 1.6114(13) -0.4911(10) 0.9054(6) 0.064(7) Uani 1 1 d DG U . . .
H61 H 1.631 -0.4905 0.9355 0.077 Uiso 1 1 calc R U . . .
C62 C 1.5735(13) -0.4547(9) 0.9021(5) 0.069(6) Uani 1 1 d DG U . . .
H62 H 1.5672 -0.4293 0.93 0.083 Uiso 1 1 calc R U . . .
C63 C 1.5447(12) -0.4555(8) 0.8581(7) 0.058(6) Uani 1 1 d DG U . . .
H63 H 1.5188 -0.4307 0.8559 0.07 Uiso 1 1 calc R U . . .
C64 C 1.5747(11) -0.4279(6) 0.7592(7) 0.054(5) Uani 1 1 d DG U . . .
C65 C 1.6088(12) -0.3867(7) 0.8021(6) 0.053(6) Uani 1 1 d DG U . . .
H65 H 1.6061 -0.3917 0.8309 0.063 Uiso 1 1 calc R U . . .
C66 C 1.6467(12) -0.3382(6) 0.8029(7) 0.064(6) Uani 1 1 d DG U . . .
H66 H 1.67 -0.31 0.8322 0.077 Uiso 1 1 calc R U . . .
C67 C 1.6506(12) -0.3308(6) 0.7608(9) 0.058(7) Uani 1 1 d DG U . . .
H67 H 1.6766 -0.2976 0.7613 0.07 Uiso 1 1 calc R U . . .
C68 C 1.6166(13) -0.3720(9) 0.7179(8) 0.066(6) Uani 1 1 d DG U . . .
H68 H 1.6193 -0.367 0.6891 0.079 Uiso 1 1 calc R U . . .
C69 C 1.5786(12) -0.4206(7) 0.7171(6) 0.057(6) Uani 1 1 d DG U . . .
H69 H 1.5554 -0.4488 0.6878 0.068 Uiso 1 1 calc R U . . .
C70 C 1.6161(7) -0.5427(7) 0.7106(7) 0.043(6) Uani 1 1 d DG U . . .
C71 C 1.6185(9) -0.5848(7) 0.6711(7) 0.051(6) Uani 1 1 d DG U . . .
H71 H 1.5744 -0.6109 0.6526 0.061 Uiso 1 1 calc R U . . .
C72 C 1.6854(11) -0.5886(8) 0.6587(7) 0.059(7) Uani 1 1 d DG U . . .
H72 H 1.687 -0.6173 0.6317 0.07 Uiso 1 1 calc R U . . .
C73 C 1.7499(8) -0.5503(9) 0.6858(8) 0.065(7) Uani 1 1 d DG U . . .
C74 C 1.7475(8) -0.5083(8) 0.7253(8) 0.056(6) Uani 1 1 d DG U . . .
H74 H 1.7915 -0.4822 0.7438 0.068 Uiso 1 1 calc R U . . .
C75 C 1.6805(9) -0.5045(7) 0.7377(6) 0.044(6) Uani 1 1 d DG U . . .
H75 H 1.6789 -0.4758 0.7647 0.053 Uiso 1 1 calc R U . . .
C76 C 1.8232(14) -0.5505(15) 0.6698(14) 0.082(11) Uani 1 1 d D U . . .
H76A H 1.8543 -0.5143 0.68 0.123 Uiso 1 1 d R U . . .
H76B H 1.8136 -0.5673 0.6353 0.123 Uiso 1 1 d R U . . .
H76C H 1.8483 -0.5705 0.684 0.123 Uiso 1 1 d R U . . .
Co15 Co 1.2739(3) -0.5002(2) 0.8664(2) 0.0639(18) Uani 1 1 d D . . . .
N15 N 1.3536(12) -0.4992(9) 0.9195(7) 0.066(6) Uani 1 1 d D U . . .
C239 C 1.3638(16) -0.4641(13) 0.9651(8) 0.069(7) Uani 1 1 d D U . . .
H239 H 1.3315 -0.4428 0.9744 0.083 Uiso 1 1 calc R U . . .
C240 C 1.4243(17) -0.4619(13) 0.9964(9) 0.073(7) Uani 1 1 d D U . . .
H240 H 1.4385 -0.4344 1.0268 0.087 Uiso 1 1 calc DR U . . .
C241 C 1.4649(19) -0.4986(15) 0.9849(11) 0.078(7) Uani 1 1 d D U . . .
C242 C 1.4507(17) -0.5343(14) 0.9382(11) 0.077(8) Uani 1 1 d D U . . .
H242 H 1.4799 -0.5581 0.9289 0.092 Uiso 1 1 calc R U . . .
C243 C 1.3944(17) -0.5344(13) 0.9063(9) 0.080(8) Uani 1 1 d D U . . .
H243 H 1.3833 -0.5591 0.8747 0.097 Uiso 1 1 calc R U . . .
P5 P 1.2079(5) -0.6083(4) 0.7861(4) 0.053(2) Uani 1 1 d D U . . .
N5 N 1.2163(11) -0.5724(6) 0.8435(6) 0.057(4) Uani 1 1 d D U . . .
C77 C 1.2468(11) -0.6646(7) 0.7792(7) 0.047(5) Uani 1 1 d DG U . . .
C78 C 1.2789(13) -0.6724(8) 0.8184(6) 0.071(6) Uani 1 1 d DG U . . .
H78 H 1.2788 -0.6495 0.8493 0.085 Uiso 1 1 calc R U . . .
C79 C 1.3113(13) -0.7136(9) 0.8124(9) 0.072(6) Uani 1 1 d DG U . . .
H79 H 1.3332 -0.7189 0.8392 0.086 Uiso 1 1 calc R U . . .
C80 C 1.3115(13) -0.7470(8) 0.7672(10) 0.080(7) Uani 1 1 d DG U . . .
H80 H 1.3336 -0.7752 0.7631 0.097 Uiso 1 1 calc R U . . .
C81 C 1.2794(14) -0.7393(8) 0.7281(8) 0.075(6) Uani 1 1 d DG U . . .
H81 H 1.2795 -0.7621 0.6972 0.09 Uiso 1 1 calc R U . . .
C82 C 1.2470(12) -0.6981(8) 0.7341(6) 0.066(6) Uani 1 1 d DG U . . .
H82 H 1.2251 -0.6928 0.7073 0.079 Uiso 1 1 calc R U . . .
C83 C 1.1082(7) -0.6367(8) 0.7598(7) 0.062(6) Uani 1 1 d DG U . . .
C84 C 1.0592(10) -0.6128(8) 0.7830(7) 0.069(7) Uani 1 1 d DG U . . .
H84 H 1.0771 -0.5824 0.8114 0.083 Uiso 1 1 calc R U . . .
C85 C 0.9840(9) -0.6334(10) 0.7646(9) 0.065(7) Uani 1 1 d DG U . . .
H85 H 0.9505 -0.6171 0.7805 0.078 Uiso 1 1 calc R U . . .
C86 C 0.9577(7) -0.6778(10) 0.7231(10) 0.082(8) Uani 1 1 d DG U . . .
H86 H 0.9063 -0.6919 0.7106 0.098 Uiso 1 1 calc R U . . .
C87 C 1.0067(11) -0.7017(8) 0.7000(8) 0.078(7) Uani 1 1 d DG U . . .
H87 H 0.9888 -0.7321 0.6716 0.094 Uiso 1 1 calc R U . . .
C88 C 1.0820(10) -0.6811(8) 0.7183(7) 0.064(6) Uani 1 1 d DG U . . .
H88 H 1.1154 -0.6974 0.7025 0.077 Uiso 1 1 calc R U . . .
C89 C 1.1796(12) -0.5929(7) 0.8752(6) 0.053(6) Uani 1 1 d DG U . . .
C90 C 1.1852(13) -0.5583(7) 0.9210(7) 0.072(6) Uani 1 1 d DG U . . .
H90 H 1.2075 -0.5217 0.9301 0.086 Uiso 1 1 calc R U . . .
C91 C 1.1583(15) -0.5774(10) 0.9536(6) 0.089(7) Uani 1 1 d DG U . . .
H91 H 1.1622 -0.5538 0.9849 0.107 Uiso 1 1 calc R U . . .
C92 C 1.1257(16) -0.6310(10) 0.9403(8) 0.101(7) Uani 1 1 d DG U . . .
C93 C 1.1201(14) -0.6655(7) 0.8945(9) 0.087(6) Uani 1 1 d DG U . . .
H93 H 1.0978 -0.7022 0.8854 0.104 Uiso 1 1 calc R U . . .
C94 C 1.1470(13) -0.6465(7) 0.8619(7) 0.069(6) Uani 1 1 d DG U . . .
H94 H 1.1432 -0.6701 0.8306 0.083 Uiso 1 1 calc R U . . .
C95 C 1.101(3) -0.6557(16) 0.9758(13) 0.141(12) Uani 1 1 d D U . . .
H95A H 1.0473 -0.6702 0.9676 0.211 Uiso 1 1 d R U . . .
H95B H 1.1154 -0.628 1.0075 0.211 Uiso 1 1 d R U . . .
H95C H 1.1243 -0.6837 0.9751 0.211 Uiso 1 1 d R U . . .
P6 P 1.3036(5) -0.3936(4) 0.8527(4) 0.066(3) Uani 1 1 d D U . . .
N6 N 1.2702(11) -0.4284(5) 0.8851(6) 0.080(5) Uani 1 1 d D U . . .
C96 C 1.3979(7) -0.3534(8) 0.8842(8) 0.059(5) Uani 1 1 d DG U . . .
C97 C 1.4371(10) -0.3182(8) 0.8673(7) 0.056(6) Uani 1 1 d DG U . . .
H97 H 1.4132 -0.3111 0.8422 0.067 Uiso 1 1 calc R U . . .
C98 C 1.5112(10) -0.2933(8) 0.8873(9) 0.068(6) Uani 1 1 d DG U . . .
H98 H 1.538 -0.2692 0.8758 0.082 Uiso 1 1 calc R U . . .
C99 C 1.5461(8) -0.3037(9) 0.9241(9) 0.076(7) Uani 1 1 d DG U . . .
H99 H 1.5967 -0.2867 0.9378 0.091 Uiso 1 1 calc R U . . .
C100 C 1.5068(11) -0.3389(10) 0.9409(8) 0.080(6) Uani 1 1 d DG U . . .
H100 H 1.5307 -0.346 0.9661 0.096 Uiso 1 1 calc R U . . .
C101 C 1.4327(11) -0.3637(8) 0.9210(8) 0.079(6) Uani 1 1 d DG U . . .
H101 H 1.4059 -0.3878 0.9325 0.095 Uiso 1 1 calc R U . . .
C102 C 1.2486(10) -0.3454(7) 0.8565(9) 0.066(6) Uani 1 1 d DG U . . .
C103 C 1.1731(10) -0.3636(7) 0.8384(9) 0.065(7) Uani 1 1 d DG U . . .
H103 H 1.1508 -0.4002 0.8214 0.078 Uiso 1 1 calc R U . . .
C104 C 1.1305(9) -0.3282(10) 0.8451(9) 0.072(7) Uani 1 1 d DG U . . .
H104 H 1.0789 -0.3406 0.8328 0.086 Uiso 1 1 calc R U . . .
C105 C 1.1632(13) -0.2746(9) 0.8700(10) 0.071(7) Uani 1 1 d DG U . . .
H105 H 1.134 -0.2504 0.8746 0.085 Uiso 1 1 calc R U . . .
C106 C 1.2386(13) -0.2564(6) 0.8881(9) 0.077(7) Uani 1 1 d DG U . . .
H106 H 1.261 -0.2198 0.905 0.093 Uiso 1 1 calc R U . . .
C107 C 1.2813(9) -0.2918(7) 0.8813(9) 0.070(7) Uani 1 1 d DG U . . .
H107 H 1.3328 -0.2794 0.8937 0.084 Uiso 1 1 calc R U . . .
C108 C 1.2263(11) -0.4046(6) 0.9179(5) 0.097(7) Uani 1 1 d DG U . . .
C109 C 1.1518(11) -0.4290(8) 0.9102(8) 0.122(8) Uani 1 1 d DG U . . .
H109 H 1.1295 -0.4609 0.8838 0.147 Uiso 1 1 calc R U . . .
C110 C 1.1100(11) -0.4066(11) 0.9412(10) 0.143(8) Uani 1 1 d DG U . . .
H110 H 1.0591 -0.4233 0.936 0.171 Uiso 1 1 calc R U . . .
C111 C 1.1427(15) -0.3599(10) 0.9800(8) 0.145(9) Uani 1 1 d DG U . . .
C112 C 1.2172(15) -0.3356(8) 0.9877(7) 0.139(8) Uani 1 1 d DG U . . .
H112 H 1.2396 -0.3037 1.0141 0.167 Uiso 1 1 calc R U . . .
C113 C 1.2591(11) -0.3579(7) 0.9567(7) 0.119(8) Uani 1 1 d DG U . . .
H113 H 1.31 -0.3413 0.9619 0.143 Uiso 1 1 calc R U . . .
C114 C 1.101(2) -0.3325(14) 1.0160(11) 0.165(14) Uani 1 1 d D U . . .
H11A H 1.0483 -0.3423 1.0011 0.248 Uiso 1 1 d R U . . .
H11B H 1.1206 -0.2941 1.0272 0.248 Uiso 1 1 d R U . . .
H11C H 1.1058 -0.3436 1.0429 0.248 Uiso 1 1 d R U . . .
Co16 Co 0.6108(3) 0.0914(2) 0.8050(2) 0.068(2) Uani 1 1 d D . . . .
N16 N 0.5611(13) 0.1465(8) 0.7919(8) 0.116(8) Uani 1 1 d DG U . . .
C244 C 0.5238(13) 0.1330(9) 0.7458(7) 0.120(8) Uani 1 1 d DG U . . .
H244 H 0.5131 0.0977 0.7238 0.144 Uiso 1 1 calc DR U . . .
C245 C 0.5023(16) 0.1710(13) 0.7321(9) 0.122(8) Uani 1 1 d DG U . . .
H245 H 0.4769 0.1617 0.7006 0.146 Uiso 1 1 calc R U . . .
C246 C 0.5181(18) 0.2225(11) 0.7644(13) 0.118(8) Uani 1 1 d DG U . . .
C247 C 0.5554(17) 0.2361(7) 0.8104(12) 0.127(8) Uani 1 1 d DG U . . .
H247 H 0.5662 0.2713 0.8325 0.152 Uiso 1 1 calc R U . . .
C248 C 0.5769(15) 0.1981(8) 0.8242(8) 0.121(8) Uani 1 1 d DG U . . .
H248 H 0.6024 0.2074 0.8556 0.145 Uiso 1 1 calc R U . . .
P7 P 0.5599(9) -0.0128(6) 0.7192(5) 0.135(3) Uani 1 1 d D U . . .
N7 N 0.5379(10) 0.0261(7) 0.7678(5) 0.135(3) Uani 1 1 d D U . . .
C115 C 0.5120(14) -0.0048(10) 0.6673(8) 0.126(5) Uani 1 1 d DG U . . .
C116 C 0.4379(14) -0.0301(10) 0.6476(9) 0.135(7) Uani 1 1 d DG U . . .
H116 H 0.4136 -0.0581 0.6558 0.162 Uiso 1 1 calc R U . . .
C117 C 0.3995(13) -0.0145(13) 0.6160(10) 0.138(7) Uani 1 1 d DG U . . .
H117 H 0.3488 -0.0318 0.6025 0.166 Uiso 1 1 calc R U . . .
C118 C 0.4350(18) 0.0265(13) 0.6041(10) 0.123(7) Uani 1 1 d DG U . . .
H118 H 0.4087 0.0372 0.5824 0.148 Uiso 1 1 calc R U . . .
C119 C 0.5091(19) 0.0518(11) 0.6238(10) 0.125(7) Uani 1 1 d DG U . . .
H119 H 0.5334 0.0798 0.6156 0.15 Uiso 1 1 calc R U . . .
C120 C 0.5476(13) 0.0362(11) 0.6554(9) 0.125(7) Uani 1 1 d DG U . . .
H120 H 0.5982 0.0535 0.6688 0.15 Uiso 1 1 calc R U . . .
C121 C 0.5179(15) -0.0811(7) 0.7119(9) 0.135(6) Uani 1 1 d DG U . . .
C122 C 0.5090(12) -0.0907(11) 0.7525(9) 0.165(7) Uani 1 1 d DG U . . .
H122 H 0.5232 -0.0624 0.7824 0.198 Uiso 1 1 calc DR U . . .
C123 C 0.4792(17) -0.1419(13) 0.7494(13) 0.155(7) Uani 1 1 d DG U . . .
H123 H 0.4731 -0.1485 0.7771 0.186 Uiso 1 1 calc R U . . .
C124 C 0.4584(18) -0.1834(9) 0.7057(16) 0.159(8) Uani 1 1 d DG U . . .
H124 H 0.4381 -0.2183 0.7035 0.191 Uiso 1 1 calc R U . . .
C125 C 0.4673(16) -0.1737(8) 0.6650(12) 0.148(7) Uani 1 1 d DG U . . .
H125 H 0.4531 -0.2021 0.6352 0.177 Uiso 1 1 calc R U . . .
C126 C 0.4971(17) -0.1226(9) 0.6682(9) 0.138(7) Uani 1 1 d DG U . . .
H126 H 0.5032 -0.116 0.6404 0.166 Uiso 1 1 calc R U . . .
C127 C 0.4631(8) 0.0255(9) 0.7743(4) 0.135(3) Uani 1 1 d DG U . . .
C128 C 0.4455(12) 0.0732(8) 0.7841(7) 0.135(3) Uani 1 1 d DG U . . .
H128 H 0.4814 0.1037 0.7862 0.161 Uiso 1 1 calc DR U . . .
C129 C 0.3756(13) 0.0764(9) 0.7908(8) 0.135(3) Uani 1 1 d DG U . . .
H129 H 0.3636 0.109 0.7975 0.161 Uiso 1 1 calc R U . . .
C130 C 0.3231(9) 0.0318(11) 0.7876(7) 0.135(3) Uani 1 1 d DG U . . .
C131 C 0.3406(9) -0.0159(9) 0.7778(9) 0.135(3) Uani 1 1 d DG U . . .
H131 H 0.3048 -0.0464 0.7757 0.161 Uiso 1 1 calc R U . . .
C132 C 0.4106(10) -0.0191(8) 0.7712(8) 0.135(3) Uani 1 1 d DG U . . .
H132 H 0.4226 -0.0517 0.7645 0.161 Uiso 1 1 calc DR U . . .
C133 C 0.2454(8) 0.0335(15) 0.7948(10) 0.135(3) Uani 1 1 d D U . . .
H13A H 0.2121 0.0218 0.764 0.202 Uiso 1 1 d DR U . . .
H13B H 0.2465 0.0699 0.8136 0.202 Uiso 1 1 d DR U . . .
H13C H 0.228 0.0105 0.8112 0.202 Uiso 1 1 d DR U . . .
P8 P 0.7638(6) 0.1293(4) 0.8726(4) 0.080(3) Uani 1 1 d D U . . .
N8 N 0.6740(8) 0.1271(9) 0.8666(6) 0.080(5) Uani 1 1 d D U . . .
C134 C 0.7943(13) 0.1282(10) 0.9315(7) 0.091(6) Uani 1 1 d DG U . . .
C135 C 0.8393(14) 0.1723(9) 0.9691(8) 0.109(7) Uani 1 1 d DG U . . .
H135 H 0.8576 0.2042 0.9647 0.131 Uiso 1 1 calc R U . . .
C136 C 0.8575(16) 0.1695(12) 1.0131(7) 0.111(7) Uani 1 1 d DG U . . .
H136 H 0.8882 0.1996 1.0388 0.133 Uiso 1 1 calc R U . . .
C137 C 0.8307(17) 0.1228(14) 1.0195(7) 0.116(8) Uani 1 1 d DG U . . .
H137 H 0.8432 0.121 1.0496 0.139 Uiso 1 1 calc R U . . .
C138 C 0.7858(17) 0.0788(11) 0.9819(10) 0.116(7) Uani 1 1 d DG U . . .
H138 H 0.7675 0.0468 0.9863 0.139 Uiso 1 1 calc R U . . .
C139 C 0.7676(14) 0.0815(9) 0.9379(8) 0.120(7) Uani 1 1 d DG U . . .
H139 H 0.7368 0.0514 0.9122 0.144 Uiso 1 1 calc R U . . .
C140 C 0.8135(11) 0.1947(8) 0.8751(10) 0.093(5) Uani 1 1 d DG U . . .
C141 C 0.8899(11) 0.2102(9) 0.8869(10) 0.099(6) Uani 1 1 d DG U . . .
H141 H 0.9157 0.1909 0.8997 0.118 Uiso 1 1 calc R U . . .
C142 C 0.9286(11) 0.2540(10) 0.8799(11) 0.108(7) Uani 1 1 d DG U . . .
H142 H 0.9808 0.2646 0.8879 0.129 Uiso 1 1 calc R U . . .
C143 C 0.8909(17) 0.2823(9) 0.8611(11) 0.109(7) Uani 1 1 d DG U . . .
H143 H 0.9174 0.3123 0.8563 0.13 Uiso 1 1 calc R U . . .
C144 C 0.8145(17) 0.2668(9) 0.8493(10) 0.104(7) Uani 1 1 d DG U . . .
H144 H 0.7887 0.2862 0.8365 0.125 Uiso 1 1 calc R U . . .
C145 C 0.7758(11) 0.2230(9) 0.8563(10) 0.095(7) Uani 1 1 d DG U . . .
H145 H 0.7236 0.2124 0.8483 0.114 Uiso 1 1 calc R U . . .
C146 C 0.6375(12) 0.1440(10) 0.9060(7) 0.090(7) Uani 1 1 d DG U . . .
C147 C 0.6693(11) 0.1927(10) 0.9426(8) 0.099(8) Uani 1 1 d DG U . . .
H147 H 0.7165 0.2131 0.9434 0.119 Uiso 1 1 calc R U . . .
C148 C 0.6321(15) 0.2114(9) 0.9781(8) 0.099(7) Uani 1 1 d DG U . . .
H148 H 0.6538 0.2447 1.0031 0.119 Uiso 1 1 calc R U . . .
C149 C 0.5630(16) 0.1816(12) 0.9769(9) 0.131(8) Uani 1 1 d DG U . . .
C150 C 0.5312(13) 0.1329(11) 0.9403(10) 0.128(8) Uani 1 1 d DG U . . .
H150 H 0.484 0.1125 0.9395 0.154 Uiso 1 1 calc R U . . .
C151 C 0.5684(13) 0.1142(9) 0.9048(8) 0.119(8) Uani 1 1 d DG U . . .
H151 H 0.5467 0.0809 0.8798 0.143 Uiso 1 1 calc R U . . .
C152 C 0.521(3) 0.2009(18) 1.0160(15) 0.158(13) Uani 1 1 d D U . . .
H15A H 0.5047 0.1726 1.0272 0.237 Uiso 1 1 d R U . . .
H15B H 0.4785 0.2108 1.0041 0.237 Uiso 1 1 d R U . . .
H15C H 0.5546 0.2316 1.042 0.237 Uiso 1 1 d R U . . .
Co17 Co 0.9426(4) -0.0705(2) 0.8108(2) 0.085(2) Uani 1 1 d D . . . .
N17 N 0.9937(10) -0.1292(7) 0.7816(7) 0.078(7) Uani 1 1 d D U . . .
C249 C 1.0511(11) -0.1371(8) 0.8081(8) 0.079(7) Uani 1 1 d D U . . .
H249 H 1.068 -0.1161 0.8408 0.095 Uiso 1 1 calc R U . . .
C250 C 1.0838(12) -0.1763(8) 0.7858(9) 0.067(6) Uani 1 1 d D U . . .
H250 H 1.1232 -0.1816 0.8041 0.08 Uiso 1 1 calc R U . . .
C251 C 1.0612(13) -0.2077(9) 0.7384(9) 0.067(6) Uani 1 1 d D U . . .
C252 C 1.0032(14) -0.1997(9) 0.7116(9) 0.064(6) Uani 1 1 d D U . . .
H252 H 0.9858 -0.2204 0.6789 0.077 Uiso 1 1 calc R U . . .
C253 C 0.9724(13) -0.1609(8) 0.7346(8) 0.068(7) Uani 1 1 d D U . . .
H253 H 0.9331 -0.1555 0.7164 0.082 Uiso 1 1 calc R U . . .
P9 P 0.7754(6) -0.1075(4) 0.8085(4) 0.075(3) Uani 1 1 d D U . . .
N9 N 0.8625(8) -0.1014(9) 0.8325(7) 0.084(5) Uani 1 1 d D U . . .
C153 C 0.7191(13) -0.1172(9) 0.8510(8) 0.093(5) Uani 1 1 d DG U . . .
C154 C 0.6801(15) -0.0826(9) 0.8729(10) 0.121(6) Uani 1 1 d DG U . . .
H154 H 0.6825 -0.0513 0.8669 0.145 Uiso 1 1 calc R U . . .
C155 C 0.6375(15) -0.0940(13) 0.9035(10) 0.118(6) Uani 1 1 d DG U . . .
H155 H 0.6108 -0.0704 0.9185 0.142 Uiso 1 1 calc R U . . .
C156 C 0.6340(16) -0.1399(14) 0.9122(10) 0.129(7) Uani 1 1 d DG U . . .
H156 H 0.6049 -0.1476 0.9331 0.155 Uiso 1 1 calc R U . . .
C157 C 0.6731(17) -0.1744(11) 0.8903(11) 0.106(6) Uani 1 1 d DG U . . .
H157 H 0.6707 -0.2057 0.8962 0.127 Uiso 1 1 calc R U . . .
C158 C 0.7157(15) -0.1630(9) 0.8597(10) 0.111(6) Uani 1 1 d DG U . . .
H158 H 0.7424 -0.1866 0.8447 0.133 Uiso 1 1 calc R U . . .
C159 C 0.7411(11) -0.1737(7) 0.7603(7) 0.076(6) Uani 1 1 d DG U . . .
C160 C 0.6663(11) -0.1921(8) 0.7401(8) 0.065(6) Uani 1 1 d DG U . . .
H160 H 0.6337 -0.1726 0.7531 0.078 Uiso 1 1 calc R U . . .
C161 C 0.6392(11) -0.2392(9) 0.7010(8) 0.082(7) Uani 1 1 d DG U . . .
H161 H 0.5881 -0.2518 0.6873 0.099 Uiso 1 1 calc R U . . .
C162 C 0.6870(16) -0.2678(7) 0.6821(7) 0.082(8) Uani 1 1 d DG U . . .
H162 H 0.6685 -0.2999 0.6554 0.098 Uiso 1 1 calc R U . . .
C163 C 0.7617(15) -0.2493(8) 0.7023(9) 0.092(8) Uani 1 1 d DG U . . .
H163 H 0.7944 -0.2689 0.6893 0.111 Uiso 1 1 calc R U . . .
C164 C 0.7888(10) -0.2023(9) 0.7414(8) 0.086(7) Uani 1 1 d DG U . . .
H164 H 0.8399 -0.1897 0.7551 0.103 Uiso 1 1 calc R U . . .
C165 C 0.8897(12) -0.1018(10) 0.8789(6) 0.084(6) Uani 1 1 d DG U . . .
C166 C 0.8907(14) -0.0590(9) 0.9188(8) 0.095(7) Uani 1 1 d DG U . . .
H166 H 0.8669 -0.0334 0.9159 0.114 Uiso 1 1 calc R U . . .
C167 C 0.9264(15) -0.0538(9) 0.9630(7) 0.099(6) Uani 1 1 d DG U . . .
H167 H 0.9271 -0.0245 0.9903 0.119 Uiso 1 1 calc R U . . .
C168 C 0.9612(15) -0.0913(11) 0.9673(7) 0.100(7) Uani 1 1 d DG U . . .
C169 C 0.9603(14) -0.1340(10) 0.9274(9) 0.100(7) Uani 1 1 d DG U . . .
H169 H 0.9841 -0.1597 0.9303 0.12 Uiso 1 1 calc R U . . .
C170 C 0.9245(14) -0.1393(9) 0.8832(7) 0.087(6) Uani 1 1 d DG U . . .
H170 H 0.9239 -0.1685 0.8559 0.105 Uiso 1 1 calc R U . . .
C171 C 0.989(3) -0.0919(18) 1.0160(10) 0.138(12) Uani 1 1 d D U . . .
H17A H 1.0397 -0.0947 1.0196 0.207 Uiso 1 1 d R U . . .
H17B H 0.9567 -0.1223 1.0189 0.207 Uiso 1 1 d R U . . .
H17C H 0.9868 -0.0594 1.0406 0.207 Uiso 1 1 d R U . . .
P10 P 1.0112(5) 0.0355(4) 0.8014(4) 0.081(3) Uani 1 1 d D U . . .
N10 N 1.0187(10) -0.0052(7) 0.8310(8) 0.102(5) Uani 1 1 d D U . . .
C172 C 1.0620(14) 0.0181(9) 0.7540(7) 0.100(5) Uani 1 1 d DG U . . .
C173 C 1.0945(15) -0.0231(9) 0.7468(9) 0.094(6) Uani 1 1 d DG U . . .
H173 H 1.0909 -0.0426 0.7667 0.113 Uiso 1 1 calc R U . . .
C174 C 1.1323(15) -0.0358(11) 0.7106(10) 0.105(6) Uani 1 1 d DG U . . .
H174 H 1.1546 -0.064 0.7057 0.126 Uiso 1 1 calc R U . . .
C175 C 1.1376(16) -0.0073(13) 0.6814(9) 0.120(7) Uani 1 1 d DG U . . .
H175 H 1.1635 -0.0159 0.6567 0.144 Uiso 1 1 calc R U . . .
C176 C 1.1051(17) 0.0339(13) 0.6886(9) 0.127(6) Uani 1 1 d DG U . . .
H176 H 1.1087 0.0534 0.6687 0.153 Uiso 1 1 calc R U . . .
C177 C 1.0672(16) 0.0466(10) 0.7248(9) 0.114(6) Uani 1 1 d DG U . . .
H177 H 1.045 0.0748 0.7297 0.137 Uiso 1 1 calc R U . . .
C178 C 1.0592(13) 0.1028(6) 0.8440(7) 0.090(6) Uani 1 1 d DG U . . .
C179 C 1.1173(14) 0.1346(9) 0.8347(8) 0.110(8) Uani 1 1 d DG U . . .
H179 H 1.1347 0.1211 0.8067 0.132 Uiso 1 1 calc R U . . .
C180 C 1.1498(13) 0.1860(8) 0.8665(10) 0.105(8) Uani 1 1 d DG U . . .
H180 H 1.1895 0.2077 0.8601 0.126 Uiso 1 1 calc R U . . .
C181 C 1.1244(16) 0.2057(6) 0.9075(9) 0.100(8) Uani 1 1 d DG U . . .
H181 H 1.1466 0.2409 0.9292 0.12 Uiso 1 1 calc R U . . .
C182 C 1.0663(15) 0.1739(9) 0.9169(7) 0.082(7) Uani 1 1 d DG U . . .
H182 H 1.0489 0.1873 0.9449 0.099 Uiso 1 1 calc R U . . .
C183 C 1.0338(13) 0.1224(8) 0.8851(8) 0.084(7) Uani 1 1 d DG U . . .
H183 H 0.9941 0.1007 0.8915 0.101 Uiso 1 1 calc R U . . .
C184 C 1.0871(4) 0.0059(5) 0.8650(4) 0.090(6) Uani 1 1 d DG U . . .
C185 C 1.0837(5) -0.0145(5) 0.9002(3) 0.108(6) Uani 1 1 d DG U . . .
H185 H 1.038 -0.0349 0.9018 0.13 Uiso 1 1 calc R U . . .
C186 C 1.1470(6) -0.0050(6) 0.9331(4) 0.114(7) Uani 1 1 d DG U . . .
H186 H 1.1446 -0.0189 0.9572 0.137 Uiso 1 1 calc R U . . .
C187 C 1.2137(5) 0.0248(6) 0.9308(5) 0.127(7) Uani 1 1 d DG U . . .
C188 C 1.2172(4) 0.0452(6) 0.8956(7) 0.114(6) Uani 1 1 d DG U . . .
H188 H 1.2628 0.0656 0.894 0.137 Uiso 1 1 calc R U . . .
C189 C 1.1539(4) 0.0357(7) 0.8627(7) 0.114(7) Uani 1 1 d DG U . . .
H189 H 1.1562 0.0496 0.8386 0.137 Uiso 1 1 calc R U . . .
C190 C 1.2871(15) 0.039(2) 0.9662(15) 0.163(12) Uani 1 1 d D U . . .
H19D H 1.3288 0.051 0.9532 0.245 Uiso 1 1 d R U . . .
H19E H 1.2918 0.0079 0.9728 0.245 Uiso 1 1 d R U . . .
H19F H 1.2868 0.0673 0.9956 0.245 Uiso 1 1 d R U . . .
Co18 Co 0.7741(3) 0.0092(2) 0.5993(2) 0.0528(17) Uani 1 1 d D . . . .
N18 N 0.6786(10) 0.0021(8) 0.5555(7) 0.072(6) Uani 1 1 d D U . . .
C254 C 0.6712(13) 0.0415(9) 0.5391(7) 0.075(7) Uani 1 1 d D U . . .
H254 H 0.713 0.0687 0.5419 0.09 Uiso 1 1 calc R U . . .
C255 C 0.6005(14) 0.0406(11) 0.5183(8) 0.088(8) Uani 1 1 d D U . . .
H255 H 0.5959 0.0677 0.5071 0.106 Uiso 1 1 calc R U . . .
C256 C 0.5377(13) 0.0022(12) 0.5133(9) 0.081(7) Uani 1 1 d D U . . .
C257 C 0.5460(13) -0.0370(11) 0.5298(10) 0.080(7) Uani 1 1 d D U . . .
H257 H 0.5045 -0.0643 0.5272 0.096 Uiso 1 1 calc R U . . .
C258 C 0.6151(12) -0.0357(9) 0.5501(8) 0.076(7) Uani 1 1 d D U . . .
H258 H 0.6195 -0.0629 0.5612 0.091 Uiso 1 1 calc R U . . .
P11 P 0.7899(5) -0.0932(3) 0.6149(4) 0.049(2) Uani 1 1 d D U . . .
N11 N 0.7964(11) -0.0571(6) 0.5811(7) 0.050(4) Uani 1 1 d D U . . .
C191 C 0.7042(8) -0.1480(7) 0.5887(8) 0.051(5) Uani 1 1 d DG U . . .
C192 C 0.6815(11) -0.1812(8) 0.6120(7) 0.071(6) Uani 1 1 d DG U . . .
H192 H 0.7124 -0.1783 0.64 0.085 Uiso 1 1 calc R U . . .
C193 C 0.6136(12) -0.2187(8) 0.5944(9) 0.083(7) Uani 1 1 d DG U . . .
H193 H 0.5981 -0.2413 0.6104 0.099 Uiso 1 1 calc R U . . .
C194 C 0.5684(9) -0.2229(9) 0.5535(10) 0.087(8) Uani 1 1 d DG U . . .
H194 H 0.5219 -0.2485 0.5415 0.104 Uiso 1 1 calc R U . . .
C195 C 0.5910(11) -0.1897(10) 0.5302(8) 0.083(7) Uani 1 1 d DG U . . .
H195 H 0.5601 -0.1926 0.5022 0.1 Uiso 1 1 calc R U . . .
C196 C 0.6589(11) -0.1522(8) 0.5477(7) 0.060(6) Uani 1 1 d DG U . . .
H196 H 0.6744 -0.1296 0.5318 0.072 Uiso 1 1 calc R U . . .
C197 C 0.8611(9) -0.1304(7) 0.6069(7) 0.043(5) Uani 1 1 d DG U . . .
C198 C 0.8412(9) -0.1800(7) 0.5709(7) 0.059(7) Uani 1 1 d DG U . . .
H198 H 0.7928 -0.194 0.5519 0.071 Uiso 1 1 calc R U . . .
C199 C 0.8921(12) -0.2092(7) 0.5627(7) 0.053(7) Uani 1 1 d DG U . . .
H199 H 0.8785 -0.2432 0.538 0.064 Uiso 1 1 calc R U . . .
C200 C 0.9629(11) -0.1888(8) 0.5904(9) 0.054(7) Uani 1 1 d DG U . . .
H200 H 0.9977 -0.2088 0.5848 0.065 Uiso 1 1 calc R U . . .
C201 C 0.9828(8) -0.1392(9) 0.6264(8) 0.053(7) Uani 1 1 d DG U . . .
H201 H 1.0312 -0.1253 0.6454 0.064 Uiso 1 1 calc R U . . .
C202 C 0.9319(10) -0.1100(7) 0.6347(7) 0.056(7) Uani 1 1 d DG U . . .
H202 H 0.9455 -0.0761 0.6593 0.067 Uiso 1 1 calc R U . . .
C203 C 0.8292(11) -0.0692(8) 0.5394(6) 0.060(6) Uani 1 1 d DG U . . .
C204 C 0.9046(11) -0.0629(9) 0.5467(6) 0.064(6) Uani 1 1 d DG U . . .
H204 H 0.9313 -0.0585 0.5766 0.077 Uiso 1 1 calc R U . . .
C205 C 0.9410(9) -0.0632(10) 0.5102(8) 0.076(6) Uani 1 1 d DG U . . .
H205 H 0.9926 -0.0589 0.5152 0.091 Uiso 1 1 calc R U . . .
C206 C 0.9020(12) -0.0698(10) 0.4665(7) 0.082(7) Uani 1 1 d DG U . . .
C207 C 0.8266(12) -0.0761(10) 0.4591(6) 0.073(6) Uani 1 1 d DG U . . .
H207 H 0.7999 -0.0806 0.4292 0.088 Uiso 1 1 calc R U . . .
C208 C 0.7901(9) -0.0758(9) 0.4956(7) 0.067(6) Uani 1 1 d DG U . . .
H208 H 0.7386 -0.0801 0.4906 0.08 Uiso 1 1 calc R U . . .
C209 C 0.9380(18) -0.0786(16) 0.4233(10) 0.080(9) Uani 1 1 d D U . . .
H20A H 0.9897 -0.0768 0.4332 0.12 Uiso 1 1 d R U . . .
H20B H 0.9349 -0.051 0.4111 0.12 Uiso 1 1 d R U . . .
H20C H 0.9129 -0.1132 0.3986 0.12 Uiso 1 1 d R U . . .
P12 P 0.8407(5) 0.1162(4) 0.6822(4) 0.054(2) Uani 1 1 d D U . . .
N12 N 0.8301(11) 0.0826(6) 0.6241(5) 0.050(4) Uani 1 1 d D U . . .
C210 C 0.7882(11) 0.1656(7) 0.6871(9) 0.074(7) Uani 1 1 d DG U . . .
C211 C 0.8135(11) 0.2189(7) 0.7155(8) 0.092(7) Uani 1 1 d DG U . . .
H211 H 0.8638 0.2339 0.7311 0.11 Uiso 1 1 calc DR U . . .
C212 C 0.7653(15) 0.2504(7) 0.7211(10) 0.099(7) Uani 1 1 d DG U . . .
H212 H 0.7827 0.2869 0.7405 0.119 Uiso 1 1 calc R U . . .
C213 C 0.6918(14) 0.2286(10) 0.6982(12) 0.118(8) Uani 1 1 d DG U . . .
H213 H 0.6588 0.2501 0.7021 0.142 Uiso 1 1 calc R U . . .
C214 C 0.6664(10) 0.1752(11) 0.6698(11) 0.112(8) Uani 1 1 d DG U . . .
H214 H 0.6162 0.1603 0.6542 0.134 Uiso 1 1 calc R U . . .
C215 C 0.7146(12) 0.1438(8) 0.6643(9) 0.096(7) Uani 1 1 d DG U . . .
H215 H 0.6973 0.1073 0.6448 0.116 Uiso 1 1 calc R U . . .
C216 C 0.9378(7) 0.1542(8) 0.7073(7) 0.050(6) Uani 1 1 d DG U . . .
C217 C 0.9912(10) 0.1411(8) 0.6821(6) 0.065(7) Uani 1 1 d DG U . . .
H217 H 0.9772 0.114 0.6514 0.078 Uiso 1 1 calc R U . . .
C218 C 1.0650(9) 0.1675(10) 0.7017(8) 0.067(7) Uani 1 1 d DG U . . .
H218 H 1.1014 0.1586 0.6844 0.08 Uiso 1 1 calc R U . . .
C219 C 1.0854(7) 0.2071(9) 0.7465(9) 0.066(7) Uani 1 1 d DG U . . .
H219 H 1.1358 0.2252 0.7599 0.08 Uiso 1 1 calc R U . . .
C220 C 1.0321(11) 0.2202(8) 0.7718(7) 0.068(7) Uani 1 1 d DG U . . .
H220 H 1.046 0.2472 0.8024 0.082 Uiso 1 1 calc R U . . .
C221 C 0.9583(9) 0.1937(8) 0.7522(6) 0.060(7) Uani 1 1 d DG U . . .
H221 H 0.9218 0.2027 0.7694 0.072 Uiso 1 1 calc DR U . . .
C222 C 0.8601(13) 0.1041(7) 0.5910(6) 0.057(6) Uani 1 1 d DG U . . .
C223 C 0.8516(12) 0.0681(6) 0.5454(7) 0.057(6) Uani 1 1 d DG U . . .
H223 H 0.8319 0.0315 0.5381 0.069 Uiso 1 1 calc R U . . .
C224 C 0.8718(13) 0.0857(8) 0.5105(6) 0.056(6) Uani 1 1 d DG U . . .
H224 H 0.866 0.0611 0.4793 0.067 Uiso 1 1 calc R U . . .
C225 C 0.9005(13) 0.1393(9) 0.5212(7) 0.061(6) Uani 1 1 d DG U . . .
C226 C 0.9090(13) 0.1753(6) 0.5669(8) 0.068(6) Uani 1 1 d DG U . . .
H226 H 0.9286 0.2119 0.5742 0.081 Uiso 1 1 calc R U . . .
C227 C 0.8888(13) 0.1577(7) 0.6018(6) 0.067(6) Uani 1 1 d DG U . . .
H227 H 0.8946 0.1823 0.633 0.08 Uiso 1 1 calc R U . . .
C228 C 0.923(2) 0.1604(13) 0.4835(10) 0.071(9) Uani 1 1 d D U . . .
H22A H 0.9047 0.1913 0.4866 0.107 Uiso 1 1 d R U . . .
H22B H 0.9006 0.1327 0.4523 0.107 Uiso 1 1 d R U . . .
H22C H 0.9766 0.1703 0.4873 0.107 Uiso 1 1 d R U . . .
Co1 Co 1.1875(3) -0.50752(18) 0.69647(19) 0.0373(14) Uani 1 1 d . . . . .
Co2 Co 1.3255(3) -0.44862(18) 0.68978(18) 0.0371(14) Uani 1 1 d . . . . .
Co3 Co 1.2945(2) -0.56383(18) 0.65940(19) 0.0339(14) Uani 1 1 d . . . . .
Co4 Co 1.4038(3) -0.49937(18) 0.74218(19) 0.0375(14) Uani 1 1 d . . . . .
Co5 Co 1.2599(3) -0.55663(18) 0.75270(19) 0.0389(15) Uani 1 1 d . . . . .
Co6 Co 1.3003(3) -0.44282(19) 0.7829(2) 0.0427(15) Uani 1 1 d . . . . .
Se1 Se 1.2373(2) -0.41491(14) 0.72806(15) 0.0386(11) Uani 1 1 d . . . . .
Se2 Se 1.23399(19) -0.51449(13) 0.62811(14) 0.0346(10) Uani 1 1 d . . . . .
Se3 Se 1.40244(19) -0.50279(13) 0.66576(14) 0.0357(11) Uani 1 1 d . . . . .
Se4 Se 1.35028(18) -0.59152(14) 0.71590(14) 0.0352(11) Uani 1 1 d . . . . .
Se5 Se 1.3605(2) -0.49340(15) 0.81192(15) 0.0409(11) Uani 1 1 d . . . . .
Se6 Se 1.18521(19) -0.50042(14) 0.77403(15) 0.0389(11) Uani 1 1 d . . . . .
Se7 Se 1.40903(19) -0.41014(13) 0.76325(14) 0.0354(11) Uani 1 1 d . . . . .
Se8 Se 1.18199(18) -0.59625(14) 0.67759(14) 0.0329(10) Uani 1 1 d . . . . .
Co7 Co 0.6739(3) -0.00179(18) 0.73088(19) 0.0398(15) Uani 1 1 d . . . . .
Co8 Co 0.7823(3) 0.0675(2) 0.8128(2) 0.0497(17) Uani 1 1 d . . . . .
Co9 Co 0.7694(3) -0.04576(19) 0.7813(2) 0.0434(15) Uani 1 1 d . . . . .
Co10 Co 0.8962(3) 0.02281(18) 0.77310(18) 0.0376(14) Uani 1 1 d . . . . .
Co11 Co 0.7880(3) -0.04708(18) 0.68705(19) 0.0384(15) Uani 1 1 d . . . . .
Co12 Co 0.8058(2) 0.06505(18) 0.71910(18) 0.0351(14) Uani 1 1 d . . . . .
Se9 Se 0.7112(2) 0.09106(15) 0.75901(15) 0.0486(12) Uani 1 1 d . . . . .
Se10 Se 0.7106(2) -0.00367(14) 0.66073(14) 0.0359(11) Uani 1 1 d . . . . .
Se11 Se 0.89098(19) 0.01884(14) 0.69557(14) 0.0367(11) Uani 1 1 d . . . . .
Se12 Se 0.8604(2) -0.07089(14) 0.74060(15) 0.0404(11) Uani 1 1 d . . . . .
Se13 Se 0.8556(2) 0.02404(14) 0.84214(14) 0.0418(11) Uani 1 1 d . . . . .
Se14 Se 0.6831(2) -0.00143(16) 0.80668(16) 0.0497(12) Uani 1 1 d . . . . .
Se15 Se 0.8867(2) 0.10840(14) 0.79260(14) 0.0410(11) Uani 1 1 d . . . . .
Se16 Se 0.6854(2) -0.08768(15) 0.70925(15) 0.0422(12) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Co13 N1 1.904(14) . ?
Co13 N2 1.931(14) . ?
Co13 N13 2.098(14) . ?
Co13 Se1 2.535(7) . ?
N13 C233 1.374(16) . ?
N13 C229 1.376(16) . ?
C229 C230 1.403(16) . ?
C229 H229 0.95 . ?
C230 C231 1.387(17) . ?
C230 H230 0.95 . ?
C231 C232 1.394(17) . ?
C231 C251 1.48(3) . ?
C232 C233 1.382(16) . ?
C232 H232 0.95 . ?
C233 H233 0.95 . ?
P1 N1 1.693(13) . ?
P1 C1 1.843(12) . ?
P1 C7 1.851(12) . ?
P1 Co1 2.134(10) . ?
N1 C13 1.470(14) . ?
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C2 C3 1.39 . ?
C2 H2 0.95 . ?
C3 C4 1.39 . ?
C3 H3 0.95 . ?
C4 C5 1.39 . ?
C4 H4 0.95 . ?
C5 C6 1.39 . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C8 C9 1.39 . ?
C8 H8 0.95 . ?
C9 C10 1.39 . ?
C9 H9 0.95 . ?
C10 C11 1.39 . ?
C10 H10 0.95 . ?
C11 C12 1.39 . ?
C11 H11 0.95 . ?
C12 H12 0.95 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C14 C15 1.39 . ?
C14 H14 0.95 . ?
C15 C16 1.39 . ?
C15 H15 0.95 . ?
C16 C17 1.39 . ?
C16 C19 1.537(16) . ?
C17 C18 1.39 . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
P2 N2 1.674(14) . ?
P2 C20 1.841(12) . ?
P2 C26 1.850(12) . ?
P2 Co2 2.158(10) . ?
N2 C32 1.477(14) . ?
C20 C21 1.39 . ?
C20 C25 1.39 . ?
C21 C22 1.39 . ?
C21 H21 0.95 . ?
C22 C23 1.39 . ?
C22 H22 0.95 . ?
C23 C24 1.39 . ?
C23 H23 0.95 . ?
C24 C25 1.39 . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 C27 1.39 . ?
C26 C31 1.39 . ?
C27 C28 1.39 . ?
C27 H27 0.95 . ?
C28 C29 1.39 . ?
C28 H28 0.95 . ?
C29 C30 1.39 . ?
C29 H29 0.95 . ?
C30 C31 1.39 . ?
C30 H30 0.95 . ?
C31 H31 0.95 . ?
C32 C33 1.39 . ?
C32 C37 1.39 . ?
C33 C34 1.39 . ?
C33 H33 0.95 . ?
C34 C35 1.39 . ?
C34 H34 0.95 . ?
C35 C36 1.39 . ?
C35 C38 1.542(16) . ?
C36 C37 1.39 . ?
C36 H36 0.95 . ?
C37 H37 0.95 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.9801 . ?
Co14 N3 1.901(14) . ?
Co14 N4 1.943(14) . ?
Co14 N14 2.069(15) . ?
Co14 Se4 2.443(6) . ?
N14 C238 1.376(16) . ?
N14 C234 1.381(16) . ?
C234 C235 1.406(16) . ?
C234 H234 0.95 . ?
C235 C236 1.395(17) . ?
C235 H235 0.95 . ?
C236 C237 1.389(17) . ?
C236 C246 1.6(4) 1_645 ?
C237 C238 1.380(17) . ?
C237 H237 0.95 . ?
C238 H238 0.95 . ?
P3 N3 1.692(13) . ?
P3 C39 1.851(12) . ?
P3 C45 1.863(12) . ?
P3 Co3 2.179(11) . ?
N3 C51 1.472(14) . ?
C39 C40 1.39 . ?
C39 C44 1.39 . ?
C40 C41 1.39 . ?
C40 H40 0.95 . ?
C41 C42 1.39 . ?
C41 H41 0.95 . ?
C42 C43 1.39 . ?
C42 H42 0.95 . ?
C43 C44 1.39 . ?
C43 H43 0.95 . ?
C44 H44 0.95 . ?
C45 C46 1.39 . ?
C45 C50 1.39 . ?
C46 C47 1.39 . ?
C46 H46 0.95 . ?
C47 C48 1.39 . ?
C47 H47 0.95 . ?
C48 C49 1.39 . ?
C48 H48 0.95 . ?
C49 C50 1.39 . ?
C49 H49 0.95 . ?
C50 H50 0.95 . ?
C51 C52 1.39 . ?
C51 C56 1.39 . ?
C52 C53 1.39 . ?
C52 H52 0.95 . ?
C53 C54 1.39 . ?
C53 H53 0.95 . ?
C54 C55 1.39 . ?
C54 C57 1.552(16) . ?
C55 C56 1.39 . ?
C55 H55 0.95 . ?
C56 H56 0.95 . ?
C57 H57A 0.9801 . ?
C57 H57B 0.98 . ?
C57 H57C 0.98 . ?
P4 N4 1.686(13) . ?
P4 C64 1.826(11) . ?
P4 C58 1.851(12) . ?
P4 Co4 2.188(10) . ?
N4 C70 1.468(14) . ?
C58 C59 1.39 . ?
C58 C63 1.39 . ?
C59 C60 1.39 . ?
C59 H59 0.95 . ?
C60 C61 1.39 . ?
C60 H60 0.95 . ?
C61 C62 1.39 . ?
C61 H61 0.95 . ?
C62 C63 1.39 . ?
C62 H62 0.95 . ?
C63 H63 0.95 . ?
C64 C65 1.39 . ?
C64 C69 1.39 . ?
C65 C66 1.39 . ?
C65 H65 0.95 . ?
C66 C67 1.39 . ?
C66 H66 0.95 . ?
C67 C68 1.39 . ?
C67 H67 0.95 . ?
C68 C69 1.39 . ?
C68 H68 0.95 . ?
C69 H69 0.95 . ?
C70 C71 1.39 . ?
C70 C75 1.39 . ?
C71 C72 1.39 . ?
C71 H71 0.95 . ?
C72 C73 1.39 . ?
C72 H72 0.95 . ?
C73 C74 1.39 . ?
C73 C76 1.537(16) . ?
C74 C75 1.39 . ?
C74 H74 0.95 . ?
C75 H75 0.95 . ?
C76 H76A 0.98 . ?
C76 H76B 0.98 . ?
C76 H76C 0.98 . ?
Co15 N6 1.915(13) . ?
Co15 N5 1.921(14) . ?
Co15 N15 2.079(15) . ?
Co15 Se5 2.518(7) . ?
N15 C243 1.369(16) . ?
N15 C239 1.374(16) . ?
C239 C240 1.385(16) . ?
C239 H239 0.95 . ?
C240 C241 1.395(17) . ?
C240 H240 0.95 . ?
C241 C242 1.396(17) . ?
C241 C241 1.56(4) 2_847 ?
C242 C243 1.363(16) . ?
C242 H242 0.95 . ?
C243 H243 0.95 . ?
P5 N5 1.680(14) . ?
P5 C77 1.841(11) . ?
P5 C83 1.854(12) . ?
P5 Co5 2.191(11) . ?
N5 C89 1.466(14) . ?
C77 C78 1.39 . ?
C77 C82 1.39 . ?
C78 C79 1.39 . ?
C78 H78 0.95 . ?
C79 C80 1.39 . ?
C79 H79 0.95 . ?
C80 C81 1.39 . ?
C80 H80 0.95 . ?
C81 C82 1.39 . ?
C81 H81 0.95 . ?
C82 H82 0.95 . ?
C83 C84 1.39 . ?
C83 C88 1.39 . ?
C84 C85 1.39 . ?
C84 H84 0.95 . ?
C85 C86 1.39 . ?
C85 H85 0.95 . ?
C86 C87 1.39 . ?
C86 H86 0.95 . ?
C87 C88 1.39 . ?
C87 H87 0.95 . ?
C88 H88 0.95 . ?
C89 C90 1.39 . ?
C89 C94 1.39 . ?
C90 C91 1.39 . ?
C90 H90 0.95 . ?
C91 C92 1.39 . ?
C91 H91 0.95 . ?
C92 C93 1.39 . ?
C92 C95 1.549(17) . ?
C93 C94 1.39 . ?
C93 H93 0.95 . ?
C94 H94 0.95 . ?
C95 H95A 0.98 . ?
C95 H95B 0.98 . ?
C95 H95C 0.98 . ?
P6 N6 1.705(13) . ?
P6 C96 1.845(12) . ?
P6 C102 1.862(12) . ?
P6 Co6 2.107(13) . ?
N6 C108 1.467(14) . ?
C96 C97 1.39 . ?
C96 C101 1.39 . ?
C97 C98 1.39 . ?
C97 H97 0.95 . ?
C98 C99 1.39 . ?
C98 H98 0.95 . ?
C99 C100 1.39 . ?
C99 H99 0.95 . ?
C100 C101 1.39 . ?
C100 H100 0.95 . ?
C101 H101 0.95 . ?
C102 C103 1.39 . ?
C102 C107 1.39 . ?
C103 C104 1.39 . ?
C103 H103 0.95 . ?
C104 C105 1.39 . ?
C104 H104 0.95 . ?
C105 C106 1.39 . ?
C105 H105 0.95 . ?
C106 C107 1.39 . ?
C106 H106 0.95 . ?
C107 H107 0.95 . ?
C108 C109 1.39 . ?
C108 C113 1.39 . ?
C109 C110 1.39 . ?
C109 H109 0.95 . ?
C110 C111 1.39 . ?
C110 H110 0.95 . ?
C111 C112 1.39 . ?
C111 C114 1.542(17) . ?
C112 C113 1.39 . ?
C112 H112 0.95 . ?
C113 H113 0.95 . ?
C114 H11A 0.98 . ?
C114 H11B 0.98 . ?
C114 H11C 0.98 . ?
Co16 N8 1.919(15) . ?
Co16 N7 1.922(15) . ?
Co16 N16 2.096(13) . ?
Co16 Se9 2.515(7) . ?
N16 C244 1.39 . ?
N16 C248 1.39 . ?
C244 C245 1.39 . ?
C244 H244 0.95 . ?
C245 C246 1.39 . ?
C245 H245 0.95 . ?
C246 C247 1.39 . ?
C246 C236 1.56(3) 1_465 ?
C247 C248 1.39 . ?
C247 H247 0.95 . ?
C248 H248 0.95 . ?
P7 N7 1.686(14) . ?
P7 C121 1.834(13) . ?
P7 C115 1.849(13) . ?
P7 Co7 2.094(16) . ?
N7 C127 1.462(15) . ?
C115 C116 1.39 . ?
C115 C120 1.39 . ?
C116 C117 1.39 . ?
C116 H116 0.95 . ?
C117 C118 1.39 . ?
C117 H117 0.95 . ?
C118 C119 1.39 . ?
C118 H118 0.95 . ?
C119 C120 1.39 . ?
C119 H119 0.95 . ?
C120 H120 0.95 . ?
C121 C122 1.39 . ?
C121 C126 1.39 . ?
C122 C123 1.39 . ?
C122 H122 0.95 . ?
C123 C124 1.39 . ?
C123 H123 0.95 . ?
C124 C125 1.39 . ?
C124 H124 0.95 . ?
C125 C126 1.39 . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C127 C128 1.39 . ?
C127 C132 1.39 . ?
C128 C129 1.39 . ?
C128 H128 0.95 . ?
C129 C130 1.39 . ?
C129 H129 0.95 . ?
C130 C131 1.39 . ?
C130 C133 1.532(14) . ?
C131 C132 1.39 . ?
C131 H131 0.95 . ?
C132 H132 0.95 . ?
C133 H13A 0.98 . ?
C133 H13B 0.98 . ?
C133 H13C 0.98 . ?
P8 N8 1.683(14) . ?
P8 C140 1.847(12) . ?
P8 C134 1.850(12) . ?
P8 Co8 2.185(13) . ?
N8 C146 1.464(15) . ?
C134 C135 1.39 . ?
C134 C139 1.39 . ?
C135 C136 1.39 . ?
C135 H135 0.95 . ?
C136 C137 1.39 . ?
C136 H136 0.95 . ?
C137 C138 1.39 . ?
C137 H137 0.95 . ?
C138 C139 1.39 . ?
C138 H138 0.95 . ?
C139 H139 0.95 . ?
C140 C141 1.39 . ?
C140 C145 1.39 . ?
C141 C142 1.39 . ?
C141 H141 0.95 . ?
C142 C143 1.39 . ?
C142 H142 0.95 . ?
C143 C144 1.39 . ?
C143 H143 0.95 . ?
C144 C145 1.39 . ?
C144 H144 0.95 . ?
C145 H145 0.95 . ?
C146 C147 1.39 . ?
C146 C151 1.39 . ?
C147 C148 1.39 . ?
C147 H147 0.95 . ?
C148 C149 1.39 . ?
C148 H148 0.95 . ?
C149 C150 1.39 . ?
C149 C152 1.534(17) . ?
C150 C151 1.39 . ?
C150 H150 0.95 . ?
C151 H151 0.95 . ?
C152 H15A 0.9799 . ?
C152 H15B 0.98 . ?
C152 H15C 0.98 . ?
Co17 N9 1.900(15) . ?
Co17 N10 1.928(14) . ?
Co17 N17 2.084(14) . ?
Co17 Se12 2.505(7) . ?
N17 C253 1.371(16) . ?
N17 C249 1.384(16) . ?
C249 C250 1.396(16) . ?
C249 H249 0.95 . ?
C250 C251 1.380(17) . ?
C250 H250 0.95 . ?
C251 C252 1.399(17) . ?
C252 C253 1.371(17) . ?
C252 H252 0.95 . ?
C253 H253 0.95 . ?
P9 N9 1.679(14) . ?
P9 C153 1.843(12) . ?
P9 C159 1.858(12) . ?
P9 Co9 2.181(12) . ?
N9 C165 1.464(15) . ?
C153 C154 1.39 . ?
C153 C158 1.39 . ?
C154 C155 1.39 . ?
C154 H154 0.95 . ?
C155 C156 1.39 . ?
C155 H155 0.95 . ?
C156 C157 1.39 . ?
C156 H156 0.95 . ?
C157 C158 1.39 . ?
C157 H157 0.95 . ?
C158 H158 0.95 . ?
C159 C160 1.39 . ?
C159 C164 1.39 . ?
C160 C161 1.39 . ?
C160 H160 0.95 . ?
C161 C162 1.39 . ?
C161 H161 0.95 . ?
C162 C163 1.39 . ?
C162 H162 0.95 . ?
C163 C164 1.39 . ?
C163 H163 0.95 . ?
C164 H164 0.95 . ?
C165 C166 1.39 . ?
C165 C170 1.39 . ?
C166 C167 1.39 . ?
C166 H166 0.95 . ?
C167 C168 1.39 . ?
C167 H167 0.95 . ?
C168 C169 1.39 . ?
C168 C171 1.537(17) . ?
C169 C170 1.39 . ?
C169 H169 0.95 . ?
C170 H170 0.95 . ?
C171 H17A 0.98 . ?
C171 H17B 0.98 . ?
C171 H17C 0.98 . ?
P10 N10 1.702(13) . ?
P10 C172 1.836(12) . ?
P10 C178 1.846(12) . ?
P10 Co10 2.160(10) . ?
N10 C184 1.471(14) . ?
C172 C173 1.39 . ?
C172 C177 1.39 . ?
C173 C174 1.39 . ?
C173 H173 0.95 . ?
C174 C175 1.39 . ?
C174 H174 0.95 . ?
C175 C176 1.39 . ?
C175 H175 0.95 . ?
C176 C177 1.39 . ?
C176 H176 0.95 . ?
C177 H177 0.95 . ?
C178 C179 1.39 . ?
C178 C183 1.39 . ?
C179 C180 1.39 . ?
C179 H179 0.95 . ?
C180 C181 1.39 . ?
C180 H180 0.95 . ?
C181 C182 1.39 . ?
C181 H181 0.95 . ?
C182 C183 1.39 . ?
C182 H182 0.95 . ?
C183 H183 0.95 . ?
C184 C185 1.39 . ?
C184 C189 1.39 . ?
C185 C186 1.39 . ?
C185 H185 0.95 . ?
C186 C187 1.39 . ?
C186 H186 0.95 . ?
C187 C188 1.39 . ?
C187 C190 1.547(17) . ?
C188 C189 1.39 . ?
C188 H188 0.95 . ?
C189 H189 0.95 . ?
C190 H19D 0.98 . ?
C190 H19E 0.98 . ?
C190 H19F 0.98 . ?
Co18 N11 1.907(14) . ?
Co18 N12 1.936(14) . ?
Co18 N18 2.056(14) . ?
Co18 Se10 2.456(7) . ?
N18 C258 1.377(16) . ?
N18 C254 1.388(16) . ?
C254 C255 1.408(16) . ?
C254 H254 0.95 . ?
C255 C256 1.381(17) . ?
C255 H255 0.95 . ?
C256 C257 1.389(17) . ?
C256 C256 1.52(5) 2_656 ?
C257 C258 1.372(17) . ?
C257 H257 0.95 . ?
C258 H258 0.95 . ?
P11 N11 1.680(14) . ?
P11 C191 1.854(12) . ?
P11 C197 1.868(11) . ?
P11 Co11 2.168(12) . ?
N11 C203 1.467(14) . ?
C191 C192 1.39 . ?
C191 C196 1.39 . ?
C192 C193 1.39 . ?
C192 H192 0.95 . ?
C193 C194 1.39 . ?
C193 H193 0.95 . ?
C194 C195 1.39 . ?
C194 H194 0.95 . ?
C195 C196 1.39 . ?
C195 H195 0.95 . ?
C196 H196 0.95 . ?
C197 C198 1.39 . ?
C197 C202 1.39 . ?
C198 C199 1.39 . ?
C198 H198 0.95 . ?
C199 C200 1.39 . ?
C199 H199 0.95 . ?
C200 C201 1.39 . ?
C200 H200 0.95 . ?
C201 C202 1.39 . ?
C201 H201 0.95 . ?
C202 H202 0.95 . ?
C203 C204 1.39 . ?
C203 C208 1.39 . ?
C204 C205 1.39 . ?
C204 H204 0.95 . ?
C205 C206 1.39 . ?
C205 H205 0.95 . ?
C206 C207 1.39 . ?
C206 C209 1.539(16) . ?
C207 C208 1.39 . ?
C207 H207 0.95 . ?
C208 H208 0.95 . ?
C209 H20A 0.98 . ?
C209 H20B 0.98 . ?
C209 H20C 0.98 . ?
P12 N12 1.680(14) . ?
P12 C216 1.845(12) . ?
P12 C210 1.851(12) . ?
P12 Co12 2.163(11) . ?
N12 C222 1.464(14) . ?
C210 C211 1.39 . ?
C210 C215 1.39 . ?
C211 C212 1.39 . ?
C211 H211 0.95 . ?
C212 C213 1.39 . ?
C212 H212 0.95 . ?
C213 C214 1.39 . ?
C213 H213 0.95 . ?
C214 C215 1.39 . ?
C214 H214 0.95 . ?
C215 H215 0.95 . ?
C216 C217 1.39 . ?
C216 C221 1.39 . ?
C217 C218 1.39 . ?
C217 H217 0.95 . ?
C218 C219 1.39 . ?
C218 H218 0.95 . ?
C219 C220 1.39 . ?
C219 H219 0.95 . ?
C220 C221 1.39 . ?
C220 H220 0.95 . ?
C221 H221 0.95 . ?
C222 C223 1.39 . ?
C222 C227 1.39 . ?
C223 C224 1.39 . ?
C223 H223 0.95 . ?
C224 C225 1.39 . ?
C224 H224 0.95 . ?
C225 C226 1.39 . ?
C225 C228 1.538(16) . ?
C226 C227 1.39 . ?
C226 H226 0.95 . ?
C227 H227 0.95 . ?
C228 H22A 0.98 . ?
C228 H22B 0.98 . ?
C228 H22C 0.98 . ?
Co1 Se8 2.329(5) . ?
Co1 Se6 2.337(7) . ?
Co1 Se2 2.349(6) . ?
Co1 Se1 2.365(6) . ?
Co1 Co2 2.863(7) . ?
Co1 Co5 2.940(6) . ?
Co1 Co6 2.941(7) . ?
Co1 Co3 2.944(6) . ?
Co2 Se3 2.335(6) . ?
Co2 Se2 2.342(6) . ?
Co2 Se1 2.347(6) . ?
Co2 Se7 2.355(6) . ?
Co2 Co6 2.925(8) . ?
Co2 Co3 2.941(6) . ?
Co2 Co4 2.955(6) . ?
Co3 Se3 2.318(6) . ?
Co3 Se2 2.341(5) . ?
Co3 Se8 2.355(6) . ?
Co3 Se4 2.362(6) . ?
Co3 Co4 2.840(7) . ?
Co3 Co5 2.979(7) . ?
Co4 Se3 2.321(7) . ?
Co4 Se7 2.337(6) . ?
Co4 Se5 2.363(7) . ?
Co4 Se4 2.371(6) . ?
Co4 Co6 2.926(7) . ?
Co4 Co5 2.983(7) . ?
Co5 Se6 2.328(5) . ?
Co5 Se8 2.345(6) . ?
Co5 Se5 2.374(6) . ?
Co5 Se4 2.376(6) . ?
Co5 Co6 2.897(7) . ?
Co6 Se7 2.319(6) . ?
Co6 Se5 2.329(6) . ?
Co6 Se6 2.352(6) . ?
Co6 Se1 2.391(6) . ?
Co7 Se14 2.318(7) . ?
Co7 Se16 2.336(6) . ?
Co7 Se10 2.340(7) . ?
Co7 Se9 2.357(6) . ?
Co7 Co8 2.843(8) . ?
Co7 Co12 2.940(7) . ?
Co7 Co9 2.968(6) . ?
Co7 Co11 2.982(7) . ?
Co8 Se13 2.325(5) . ?
Co8 Se14 2.335(7) . ?
Co8 Se15 2.341(7) . ?
Co8 Se9 2.365(6) . ?
Co8 Co10 2.922(7) . ?
Co8 Co9 2.930(7) . ?
Co8 Co12 2.957(8) . ?
Co9 Se14 2.320(6) . ?
Co9 Se13 2.327(7) . ?
Co9 Se16 2.329(7) . ?
Co9 Se12 2.352(6) . ?
Co9 Co10 2.847(7) . ?
Co9 Co11 2.960(8) . ?
Co10 Se15 2.319(5) . ?
Co10 Se11 2.343(7) . ?
Co10 Se13 2.345(7) . ?
Co10 Se12 2.376(6) . ?
Co10 Co11 2.919(7) . ?
Co10 Co12 2.939(6) . ?
Co11 Se11 2.309(6) . ?
Co11 Se10 2.335(5) . ?
Co11 Se16 2.344(6) . ?
Co11 Se12 2.378(6) . ?
Co11 Co12 2.884(6) . ?
Co12 Se11 2.319(5) . ?
Co12 Se15 2.335(6) . ?
Co12 Se10 2.364(6) . ?
Co12 Se9 2.406(6) . ?

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 Co13 N2 144.7(10) . . ?
N1 Co13 N13 104.0(8) . . ?
N2 Co13 N13 102.1(8) . . ?
N1 Co13 Se1 102.9(5) . . ?
N2 Co13 Se1 95.1(5) . . ?
N13 Co13 Se1 100.8(6) . . ?
C233 N13 C229 118.5(16) . . ?
C233 N13 Co13 118.8(14) . . ?
C229 N13 Co13 122.7(14) . . ?
N13 C229 C230 119.3(18) . . ?
N13 C229 H229 120.3 . . ?
C230 C229 H229 120.3 . . ?
C231 C230 C229 121.7(19) . . ?
C231 C230 H230 119.1 . . ?
C229 C230 H230 119.1 . . ?
C230 C231 C232 118.5(18) . . ?
C230 C231 C251 119(2) . . ?
C232 C231 C251 122(2) . . ?
C233 C232 C231 118.6(19) . . ?
C233 C232 H232 120.7 . . ?
C231 C232 H232 120.7 . . ?
N13 C233 C232 123.4(19) . . ?
N13 C233 H233 118.3 . . ?
C232 C233 H233 118.3 . . ?
N1 P1 C1 106.3(9) . . ?
N1 P1 C7 107.8(9) . . ?
C1 P1 C7 105.9(9) . . ?
N1 P1 Co1 111.1(7) . . ?
C1 P1 Co1 112.9(8) . . ?
C7 P1 Co1 112.4(8) . . ?
C13 N1 P1 124.2(11) . . ?
C13 N1 Co13 117.6(10) . . ?
P1 N1 Co13 116.7(9) . . ?
C2 C1 C6 120 . . ?
C2 C1 P1 123.6(11) . . ?
C6 C1 P1 116.0(11) . . ?
C3 C2 C1 120 . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C2 C3 C4 120 . . ?
C2 C3 H3 120 . . ?
C4 C3 H3 120 . . ?
C5 C4 C3 120 . . ?
C5 C4 H4 120 . . ?
C3 C4 H4 120 . . ?
C4 C5 C6 120 . . ?
C4 C5 H5 120 . . ?
C6 C5 H5 120 . . ?
C5 C6 C1 120 . . ?
C5 C6 H6 120 . . ?
C1 C6 H6 120 . . ?
C8 C7 C12 120 . . ?
C8 C7 P1 120.1(10) . . ?
C12 C7 P1 119.5(10) . . ?
C9 C8 C7 120 . . ?
C9 C8 H8 120 . . ?
C7 C8 H8 120 . . ?
C10 C9 C8 120 . . ?
C10 C9 H9 120 . . ?
C8 C9 H9 120 . . ?
C9 C10 C11 120 . . ?
C9 C10 H10 120 . . ?
C11 C10 H10 120 . . ?
C12 C11 C10 120 . . ?
C12 C11 H11 120 . . ?
C10 C11 H11 120 . . ?
C11 C12 C7 120 . . ?
C11 C12 H12 120 . . ?
C7 C12 H12 120 . . ?
C14 C13 C18 120 . . ?
C14 C13 N1 121.3(11) . . ?
C18 C13 N1 118.4(12) . . ?
C13 C14 C15 120 . . ?
C13 C14 H14 120 . . ?
C15 C14 H14 120 . . ?
C14 C15 C16 120 . . ?
C14 C15 H15 120 . . ?
C16 C15 H15 120 . . ?
C17 C16 C15 120 . . ?
C17 C16 C19 118.1(14) . . ?
C15 C16 C19 121.8(14) . . ?
C16 C17 C18 120 . . ?
C16 C17 H17 120 . . ?
C18 C17 H17 120 . . ?
C17 C18 C13 120 . . ?
C17 C18 H18 120 . . ?
C13 C18 H18 120 . . ?
C16 C19 H19A 109.6 . . ?
C16 C19 H19B 109.1 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.7 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 P2 C20 107.2(10) . . ?
N2 P2 C26 109.9(10) . . ?
C20 P2 C26 105.6(9) . . ?
N2 P2 Co2 110.6(7) . . ?
C20 P2 Co2 114.7(8) . . ?
C26 P2 Co2 108.8(9) . . ?
C32 N2 P2 121.0(12) . . ?
C32 N2 Co13 119.3(12) . . ?
P2 N2 Co13 118.6(9) . . ?
C21 C20 C25 120 . . ?
C21 C20 P2 121.5(11) . . ?
C25 C20 P2 118.4(11) . . ?
C22 C21 C20 120 . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 120 . . ?
C21 C22 H22 120 . . ?
C23 C22 H22 120 . . ?
C24 C23 C22 120 . . ?
C24 C23 H23 120 . . ?
C22 C23 H23 120 . . ?
C23 C24 C25 120 . . ?
C23 C24 H24 120 . . ?
C25 C24 H24 120 . . ?
C24 C25 C20 120 . . ?
C24 C25 H25 120 . . ?
C20 C25 H25 120 . . ?
C27 C26 C31 120 . . ?
C27 C26 P2 119.6(11) . . ?
C31 C26 P2 119.5(11) . . ?
C26 C27 C28 120 . . ?
C26 C27 H27 120 . . ?
C28 C27 H27 120 . . ?
C27 C28 C29 120 . . ?
C27 C28 H28 120 . . ?
C29 C28 H28 120 . . ?
C30 C29 C28 120 . . ?
C30 C29 H29 120 . . ?
C28 C29 H29 120 . . ?
C31 C30 C29 120 . . ?
C31 C30 H30 120 . . ?
C29 C30 H30 120 . . ?
C30 C31 C26 120 . . ?
C30 C31 H31 120 . . ?
C26 C31 H31 120 . . ?
C33 C32 C37 120 . . ?
C33 C32 N2 116.9(13) . . ?
C37 C32 N2 122.9(13) . . ?
C34 C33 C32 120 . . ?
C34 C33 H33 120 . . ?
C32 C33 H33 120 . . ?
C33 C34 C35 120 . . ?
C33 C34 H34 120 . . ?
C35 C34 H34 120 . . ?
C34 C35 C36 120 . . ?
C34 C35 C38 121.1(14) . . ?
C36 C35 C38 118.5(15) . . ?
C37 C36 C35 120 . . ?
C37 C36 H36 120 . . ?
C35 C36 H36 120 . . ?
C36 C37 C32 120 . . ?
C36 C37 H37 120 . . ?
C32 C37 H37 120 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.1 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.8 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N3 Co14 N4 135.7(9) . . ?
N3 Co14 N14 110.1(9) . . ?
N4 Co14 N14 104.6(9) . . ?
N3 Co14 Se4 93.4(5) . . ?
N4 Co14 Se4 109.9(5) . . ?
N14 Co14 Se4 95.8(8) . . ?
C238 N14 C234 117.5(16) . . ?
C238 N14 Co14 121.7(16) . . ?
C234 N14 Co14 120.7(15) . . ?
N14 C234 C235 121.0(19) . . ?
N14 C234 H234 119.5 . . ?
C235 C234 H234 119.5 . . ?
C236 C235 C234 121(2) . . ?
C236 C235 H235 119.7 . . ?
C234 C235 H235 119.7 . . ?
C237 C236 C235 117.3(19) . . ?
C237 C236 C246 124(10) . 1_645 ?
C235 C236 C246 117(10) . 1_645 ?
C238 C237 C236 121(2) . . ?
C238 C237 H237 119.6 . . ?
C236 C237 H237 119.6 . . ?
N14 C238 C237 122.4(19) . . ?
N14 C238 H238 118.8 . . ?
C237 C238 H238 118.8 . . ?
N3 P3 C39 108.5(9) . . ?
N3 P3 C45 106.0(9) . . ?
C39 P3 C45 100.5(9) . . ?
N3 P3 Co3 113.3(8) . . ?
C39 P3 Co3 107.6(9) . . ?
C45 P3 Co3 119.9(7) . . ?
C51 N3 P3 120.2(12) . . ?
C51 N3 Co14 114.0(12) . . ?
P3 N3 Co14 121.5(10) . . ?
C40 C39 C44 120 . . ?
C40 C39 P3 119.4(11) . . ?
C44 C39 P3 120.6(11) . . ?
C39 C40 C41 120 . . ?
C39 C40 H40 120 . . ?
C41 C40 H40 120 . . ?
C40 C41 C42 120 . . ?
C40 C41 H41 120 . . ?
C42 C41 H41 120 . . ?
C43 C42 C41 120 . . ?
C43 C42 H42 120 . . ?
C41 C42 H42 120 . . ?
C44 C43 C42 120 . . ?
C44 C43 H43 120 . . ?
C42 C43 H43 120 . . ?
C43 C44 C39 120 . . ?
C43 C44 H44 120 . . ?
C39 C44 H44 120 . . ?
C46 C45 C50 120 . . ?
C46 C45 P3 119.9(11) . . ?
C50 C45 P3 120.0(11) . . ?
C45 C46 C47 120 . . ?
C45 C46 H46 120 . . ?
C47 C46 H46 120 . . ?
C46 C47 C48 120 . . ?
C46 C47 H47 120 . . ?
C48 C47 H47 120 . . ?
C47 C48 C49 120 . . ?
C47 C48 H48 120 . . ?
C49 C48 H48 120 . . ?
C50 C49 C48 120 . . ?
C50 C49 H49 120 . . ?
C48 C49 H49 120 . . ?
C49 C50 C45 120 . . ?
C49 C50 H50 120 . . ?
C45 C50 H50 120 . . ?
C52 C51 C56 120 . . ?
C52 C51 N3 117.3(13) . . ?
C56 C51 N3 120.1(13) . . ?
C53 C52 C51 120 . . ?
C53 C52 H52 120 . . ?
C51 C52 H52 120 . . ?
C52 C53 C54 120 . . ?
C52 C53 H53 120 . . ?
C54 C53 H53 120 . . ?
C55 C54 C53 120 . . ?
C55 C54 C57 117.1(15) . . ?
C53 C54 C57 122.6(15) . . ?
C56 C55 C54 120 . . ?
C56 C55 H55 120 . . ?
C54 C55 H55 120 . . ?
C55 C56 C51 120 . . ?
C55 C56 H56 120 . . ?
C51 C56 H56 120 . . ?
C54 C57 H57A 109 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 110 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 P4 C64 110.8(9) . . ?
N4 P4 C58 105.4(10) . . ?
C64 P4 C58 107.1(9) . . ?
N4 P4 Co4 109.3(7) . . ?
C64 P4 Co4 110.9(8) . . ?
C58 P4 Co4 113.3(8) . . ?
C70 N4 P4 125.2(11) . . ?
C70 N4 Co14 119.4(10) . . ?
P4 N4 Co14 115.4(9) . . ?
C59 C58 C63 120 . . ?
C59 C58 P4 119.7(11) . . ?
C63 C58 P4 120.1(11) . . ?
C58 C59 C60 120 . . ?
C58 C59 H59 120 . . ?
C60 C59 H59 120 . . ?
C61 C60 C59 120 . . ?
C61 C60 H60 120 . . ?
C59 C60 H60 120 . . ?
C62 C61 C60 120 . . ?
C62 C61 H61 120 . . ?
C60 C61 H61 120 . . ?
C63 C62 C61 120 . . ?
C63 C62 H62 120 . . ?
C61 C62 H62 120 . . ?
C62 C63 C58 120 . . ?
C62 C63 H63 120 . . ?
C58 C63 H63 120 . . ?
C65 C64 C69 120 . . ?
C65 C64 P4 119.4(11) . . ?
C69 C64 P4 120.6(11) . . ?
C64 C65 C66 120 . . ?
C64 C65 H65 120 . . ?
C66 C65 H65 120 . . ?
C67 C66 C65 120 . . ?
C67 C66 H66 120 . . ?
C65 C66 H66 120 . . ?
C68 C67 C66 120 . . ?
C68 C67 H67 120 . . ?
C66 C67 H67 120 . . ?
C69 C68 C67 120 . . ?
C69 C68 H68 120 . . ?
C67 C68 H68 120 . . ?
C68 C69 C64 120 . . ?
C68 C69 H69 120 . . ?
C64 C69 H69 120 . . ?
C71 C70 C75 120 . . ?
C71 C70 N4 115.4(11) . . ?
C75 C70 N4 124.5(11) . . ?
C72 C71 C70 120 . . ?
C72 C71 H71 120 . . ?
C70 C71 H71 120 . . ?
C71 C72 C73 120 . . ?
C71 C72 H72 120 . . ?
C73 C72 H72 120 . . ?
C74 C73 C72 120 . . ?
C74 C73 C76 118.9(14) . . ?
C72 C73 C76 120.8(14) . . ?
C73 C74 C75 120 . . ?
C73 C74 H74 120 . . ?
C75 C74 H74 120 . . ?
C74 C75 C70 120 . . ?
C74 C75 H75 120 . . ?
C70 C75 H75 120 . . ?
C73 C76 H76A 110.2 . . ?
C73 C76 H76B 109.4 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 108.7 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N6 Co15 N5 144.9(9) . . ?
N6 Co15 N15 104.2(8) . . ?
N5 Co15 N15 100.5(9) . . ?
N6 Co15 Se5 95.1(5) . . ?
N5 Co15 Se5 107.5(6) . . ?
N15 Co15 Se5 94.6(8) . . ?
C243 N15 C239 123.1(15) . . ?
C243 N15 Co15 116.6(15) . . ?
C239 N15 Co15 120.3(15) . . ?
N15 C239 C240 115.8(18) . . ?
N15 C239 H239 122.1 . . ?
C240 C239 H239 122.1 . . ?
C239 C240 C241 122(2) . . ?
C239 C240 H240 118.9 . . ?
C241 C240 H240 118.9 . . ?
C240 C241 C242 118.8(19) . . ?
C240 C241 C241 129(3) . 2_847 ?
C242 C241 C241 111(3) . 2_847 ?
C243 C242 C241 119(2) . . ?
C243 C242 H242 120.5 . . ?
C241 C242 H242 120.5 . . ?
C242 C243 N15 120.5(19) . . ?
C242 C243 H243 119.8 . . ?
N15 C243 H243 119.8 . . ?
N5 P5 C77 110.6(10) . . ?
N5 P5 C83 107.1(10) . . ?
C77 P5 C83 106.4(10) . . ?
N5 P5 Co5 108.7(7) . . ?
C77 P5 Co5 112.8(8) . . ?
C83 P5 Co5 111.2(9) . . ?
C89 N5 P5 123.2(11) . . ?
C89 N5 Co15 120.2(11) . . ?
P5 N5 Co15 116.5(10) . . ?
C78 C77 C82 120 . . ?
C78 C77 P5 121.0(11) . . ?
C82 C77 P5 118.9(11) . . ?
C79 C78 C77 120 . . ?
C79 C78 H78 120 . . ?
C77 C78 H78 120 . . ?
C78 C79 C80 120 . . ?
C78 C79 H79 120 . . ?
C80 C79 H79 120 . . ?
C81 C80 C79 120 . . ?
C81 C80 H80 120 . . ?
C79 C80 H80 120 . . ?
C80 C81 C82 120 . . ?
C80 C81 H81 120 . . ?
C82 C81 H81 120 . . ?
C81 C82 C77 120 . . ?
C81 C82 H82 120 . . ?
C77 C82 H82 120 . . ?
C84 C83 C88 120 . . ?
C84 C83 P5 118.5(11) . . ?
C88 C83 P5 121.5(11) . . ?
C83 C84 C85 120 . . ?
C83 C84 H84 120 . . ?
C85 C84 H84 120 . . ?
C86 C85 C84 120 . . ?
C86 C85 H85 120 . . ?
C84 C85 H85 120 . . ?
C85 C86 C87 120 . . ?
C85 C86 H86 120 . . ?
C87 C86 H86 120 . . ?
C88 C87 C86 120 . . ?
C88 C87 H87 120 . . ?
C86 C87 H87 120 . . ?
C87 C88 C83 120 . . ?
C87 C88 H88 120 . . ?
C83 C88 H88 120 . . ?
C90 C89 C94 120 . . ?
C90 C89 N5 118.3(12) . . ?
C94 C89 N5 121.3(12) . . ?
C91 C90 C89 120 . . ?
C91 C90 H90 120 . . ?
C89 C90 H90 120 . . ?
C92 C91 C90 120 . . ?
C92 C91 H91 120 . . ?
C90 C91 H91 120 . . ?
C93 C92 C91 120 . . ?
C93 C92 C95 116.9(16) . . ?
C91 C92 C95 122.8(16) . . ?
C92 C93 C94 120 . . ?
C92 C93 H93 120 . . ?
C94 C93 H93 120 . . ?
C93 C94 C89 120 . . ?
C93 C94 H94 120 . . ?
C89 C94 H94 120 . . ?
C92 C95 H95A 109.9 . . ?
C92 C95 H95B 108.4 . . ?
H95A C95 H95B 109.5 . . ?
C92 C95 H95C 110.1 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
N6 P6 C96 107.6(10) . . ?
N6 P6 C102 105.6(10) . . ?
C96 P6 C102 105.2(10) . . ?
N6 P6 Co6 112.4(7) . . ?
C96 P6 Co6 111.9(9) . . ?
C102 P6 Co6 113.6(9) . . ?
C108 N6 P6 116.2(8) . . ?
C108 N6 Co15 124.6(9) . . ?
P6 N6 Co15 117.7(9) . . ?
C97 C96 C101 120 . . ?
C97 C96 P6 120.3(11) . . ?
C101 C96 P6 119.1(11) . . ?
C98 C97 C96 120 . . ?
C98 C97 H97 120 . . ?
C96 C97 H97 120 . . ?
C97 C98 C99 120 . . ?
C97 C98 H98 120 . . ?
C99 C98 H98 120 . . ?
C100 C99 C98 120 . . ?
C100 C99 H99 120 . . ?
C98 C99 H99 120 . . ?
C101 C100 C99 120 . . ?
C101 C100 H100 120 . . ?
C99 C100 H100 120 . . ?
C100 C101 C96 120 . . ?
C100 C101 H101 120 . . ?
C96 C101 H101 120 . . ?
C103 C102 C107 120 . . ?
C103 C102 P6 119.5(11) . . ?
C107 C102 P6 120.2(11) . . ?
C104 C103 C102 120 . . ?
C104 C103 H103 120 . . ?
C102 C103 H103 120 . . ?
C103 C104 C105 120 . . ?
C103 C104 H104 120 . . ?
C105 C104 H104 120 . . ?
C106 C105 C104 120 . . ?
C106 C105 H105 120 . . ?
C104 C105 H105 120 . . ?
C107 C106 C105 120 . . ?
C107 C106 H106 120 . . ?
C105 C106 H106 120 . . ?
C106 C107 C102 120 . . ?
C106 C107 H107 120 . . ?
C102 C107 H107 120 . . ?
C109 C108 C113 120 . . ?
C109 C108 N6 119.8(12) . . ?
C113 C108 N6 120.2(12) . . ?
C110 C109 C108 120 . . ?
C110 C109 H109 120 . . ?
C108 C109 H109 120 . . ?
C109 C110 C111 120 . . ?
C109 C110 H110 120 . . ?
C111 C110 H110 120 . . ?
C112 C111 C110 120 . . ?
C112 C111 C114 116.6(16) . . ?
C110 C111 C114 123.4(16) . . ?
C111 C112 C113 120 . . ?
C111 C112 H112 120 . . ?
C113 C112 H112 120 . . ?
C112 C113 C108 120 . . ?
C112 C113 H113 120 . . ?
C108 C113 H113 120 . . ?
C111 C114 H11A 109.5 . . ?
C111 C114 H11B 109.7 . . ?
H11A C114 H11B 109.5 . . ?
C111 C114 H11C 109.2 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
N8 Co16 N7 140.4(10) . . ?
N8 Co16 N16 106.3(9) . . ?
N7 Co16 N16 101.7(9) . . ?
N8 Co16 Se9 96.6(6) . . ?
N7 Co16 Se9 103.6(5) . . ?
N16 Co16 Se9 103.3(7) . . ?
C244 N16 C248 120 . . ?
C244 N16 Co16 116.6(12) . . ?
C248 N16 Co16 122.0(12) . . ?
C245 C244 N16 120 . . ?
C245 C244 H244 120 . . ?
N16 C244 H244 120 . . ?
C244 C245 C246 120 . . ?
C244 C245 H245 120 . . ?
C246 C245 H245 120 . . ?
C247 C246 C245 120 . . ?
C247 C246 C236 121(3) . 1_465 ?
C245 C246 C236 117(3) . 1_465 ?
C246 C247 C248 120 . . ?
C246 C247 H247 120 . . ?
C248 C247 H247 120 . . ?
C247 C248 N16 120 . . ?
C247 C248 H248 120 . . ?
N16 C248 H248 120 . . ?
N7 P7 C121 106.6(11) . . ?
N7 P7 C115 108.2(12) . . ?
C121 P7 C115 105.1(11) . . ?
N7 P7 Co7 109.6(10) . . ?
C121 P7 Co7 107.0(11) . . ?
C115 P7 Co7 119.7(11) . . ?
C127 N7 P7 125.0(10) . . ?
C127 N7 Co16 114.7(11) . . ?
P7 N7 Co16 115.9(11) . . ?
C116 C115 C120 120 . . ?
C116 C115 P7 121.5(14) . . ?
C120 C115 P7 117.0(14) . . ?
C117 C116 C115 120 . . ?
C117 C116 H116 120 . . ?
C115 C116 H116 120 . . ?
C116 C117 C118 120 . . ?
C116 C117 H117 120 . . ?
C118 C117 H117 120 . . ?
C117 C118 C119 120 . . ?
C117 C118 H118 120 . . ?
C119 C118 H118 120 . . ?
C120 C119 C118 120 . . ?
C120 C119 H119 120 . . ?
C118 C119 H119 120 . . ?
C119 C120 C115 120 . . ?
C119 C120 H120 120 . . ?
C115 C120 H120 120 . . ?
C122 C121 C126 120 . . ?
C122 C121 P7 117.3(14) . . ?
C126 C121 P7 122.7(14) . . ?
C121 C122 C123 120 . . ?
C121 C122 H122 120 . . ?
C123 C122 H122 120 . . ?
C124 C123 C122 120 . . ?
C124 C123 H123 120 . . ?
C122 C123 H123 120 . . ?
C123 C124 C125 120 . . ?
C123 C124 H124 120 . . ?
C125 C124 H124 120 . . ?
C126 C125 C124 120 . . ?
C126 C125 H125 120 . . ?
C124 C125 H125 120 . . ?
C125 C126 C121 120 . . ?
C125 C126 H126 120 . . ?
C121 C126 H126 120 . . ?
C128 C127 C132 120 . . ?
C128 C127 N7 116.0(13) . . ?
C132 C127 N7 124.0(13) . . ?
C127 C128 C129 120 . . ?
C127 C128 H128 120 . . ?
C129 C128 H128 120 . . ?
C128 C129 C130 120 . . ?
C128 C129 H129 120 . . ?
C130 C129 H129 120 . . ?
C131 C130 C129 120 . . ?
C131 C130 C133 118.3(16) . . ?
C129 C130 C133 121.7(16) . . ?
C130 C131 C132 120 . . ?
C130 C131 H131 120 . . ?
C132 C131 H131 120 . . ?
C131 C132 C127 120 . . ?
C131 C132 H132 120 . . ?
C127 C132 H132 120 . . ?
C130 C133 H13A 109.5 . . ?
C130 C133 H13B 108.9 . . ?
H13A C133 H13B 109.5 . . ?
C130 C133 H13C 109.9 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
N8 P8 C140 107.1(11) . . ?
N8 P8 C134 106.9(11) . . ?
C140 P8 C134 105.9(11) . . ?
N8 P8 Co8 110.9(9) . . ?
C140 P8 Co8 109.8(11) . . ?
C134 P8 Co8 115.9(10) . . ?
C146 N8 P8 124.4(13) . . ?
C146 N8 Co16 116.1(12) . . ?
P8 N8 Co16 118.9(10) . . ?
C135 C134 C139 120 . . ?
C135 C134 P8 122.8(13) . . ?
C139 C134 P8 117.1(13) . . ?
C134 C135 C136 120 . . ?
C134 C135 H135 120 . . ?
C136 C135 H135 120 . . ?
C135 C136 C137 120 . . ?
C135 C136 H136 120 . . ?
C137 C136 H136 120 . . ?
C138 C137 C136 120 . . ?
C138 C137 H137 120 . . ?
C136 C137 H137 120 . . ?
C139 C138 C137 120 . . ?
C139 C138 H138 120 . . ?
C137 C138 H138 120 . . ?
C138 C139 C134 120 . . ?
C138 C139 H139 120 . . ?
C134 C139 H139 120 . . ?
C141 C140 C145 120 . . ?
C141 C140 P8 119.3(12) . . ?
C145 C140 P8 119.5(12) . . ?
C140 C141 C142 120 . . ?
C140 C141 H141 120 . . ?
C142 C141 H141 120 . . ?
C143 C142 C141 120 . . ?
C143 C142 H142 120 . . ?
C141 C142 H142 120 . . ?
C144 C143 C142 120 . . ?
C144 C143 H143 120 . . ?
C142 C143 H143 120 . . ?
C143 C144 C145 120 . . ?
C143 C144 H144 120 . . ?
C145 C144 H144 120 . . ?
C144 C145 C140 120 . . ?
C144 C145 H145 120 . . ?
C140 C145 H145 120 . . ?
C147 C146 C151 120 . . ?
C147 C146 N8 119.3(14) . . ?
C151 C146 N8 120.4(14) . . ?
C148 C147 C146 120 . . ?
C148 C147 H147 120 . . ?
C146 C147 H147 120 . . ?
C149 C148 C147 120 . . ?
C149 C148 H148 120 . . ?
C147 C148 H148 120 . . ?
C148 C149 C150 120 . . ?
C148 C149 C152 121.1(16) . . ?
C150 C149 C152 118.9(16) . . ?
C149 C150 C151 120 . . ?
C149 C150 H150 120 . . ?
C151 C150 H150 120 . . ?
C150 C151 C146 120 . . ?
C150 C151 H151 120 . . ?
C146 C151 H151 120 . . ?
C149 C152 H15A 108.7 . . ?
C149 C152 H15B 111 . . ?
H15A C152 H15B 109.5 . . ?
C149 C152 H15C 108.7 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
N9 Co17 N10 138.8(10) . . ?
N9 Co17 N17 107.0(9) . . ?
N10 Co17 N17 105.0(9) . . ?
N9 Co17 Se12 93.1(6) . . ?
N10 Co17 Se12 103.9(5) . . ?
N17 Co17 Se12 103.7(6) . . ?
C253 N17 C249 117.2(15) . . ?
C253 N17 Co17 120.7(14) . . ?
C249 N17 Co17 122.1(14) . . ?
N17 C249 C250 118.9(17) . . ?
N17 C249 H249 120.6 . . ?
C250 C249 H249 120.6 . . ?
C251 C250 C249 122.7(18) . . ?
C251 C250 H250 118.7 . . ?
C249 C250 H250 118.7 . . ?
C250 C251 C252 118.5(18) . . ?
C250 C251 C231 121(2) . . ?
C252 C251 C231 119(2) . . ?
C253 C252 C251 117.2(19) . . ?
C253 C252 H252 121.4 . . ?
C251 C252 H252 121.4 . . ?
C252 C253 N17 125.5(19) . . ?
C252 C253 H253 117.2 . . ?
N17 C253 H253 117.2 . . ?
N9 P9 C153 106.9(11) . . ?
N9 P9 C159 106.8(11) . . ?
C153 P9 C159 100.1(10) . . ?
N9 P9 Co9 111.2(9) . . ?
C153 P9 Co9 119.8(9) . . ?
C159 P9 Co9 110.8(10) . . ?
C165 N9 P9 127.0(13) . . ?
C165 N9 Co17 109.2(12) . . ?
P9 N9 Co17 121.0(11) . . ?
C154 C153 C158 120 . . ?
C154 C153 P9 124.1(13) . . ?
C158 C153 P9 115.9(13) . . ?
C155 C154 C153 120 . . ?
C155 C154 H154 120 . . ?
C153 C154 H154 120 . . ?
C154 C155 C156 120 . . ?
C154 C155 H155 120 . . ?
C156 C155 H155 120 . . ?
C155 C156 C157 120 . . ?
C155 C156 H156 120 . . ?
C157 C156 H156 120 . . ?
C158 C157 C156 120 . . ?
C158 C157 H157 120 . . ?
C156 C157 H157 120 . . ?
C157 C158 C153 120 . . ?
C157 C158 H158 120 . . ?
C153 C158 H158 120 . . ?
C160 C159 C164 120 . . ?
C160 C159 P9 118.1(12) . . ?
C164 C159 P9 121.6(12) . . ?
C161 C160 C159 120 . . ?
C161 C160 H160 120 . . ?
C159 C160 H160 120 . . ?
C160 C161 C162 120 . . ?
C160 C161 H161 120 . . ?
C162 C161 H161 120 . . ?
C161 C162 C163 120 . . ?
C161 C162 H162 120 . . ?
C163 C162 H162 120 . . ?
C164 C163 C162 120 . . ?
C164 C163 H163 120 . . ?
C162 C163 H163 120 . . ?
C163 C164 C159 120 . . ?
C163 C164 H164 120 . . ?
C159 C164 H164 120 . . ?
C166 C165 C170 120 . . ?
C166 C165 N9 118.2(14) . . ?
C170 C165 N9 121.0(14) . . ?
C165 C166 C167 120 . . ?
C165 C166 H166 120 . . ?
C167 C166 H166 120 . . ?
C166 C167 C168 120 . . ?
C166 C167 H167 120 . . ?
C168 C167 H167 120 . . ?
C169 C168 C167 120 . . ?
C169 C168 C171 118.3(16) . . ?
C167 C168 C171 120.8(16) . . ?
C168 C169 C170 120 . . ?
C168 C169 H169 120 . . ?
C170 C169 H169 120 . . ?
C169 C170 C165 120 . . ?
C169 C170 H170 120 . . ?
C165 C170 H170 120 . . ?
C168 C171 H17A 111.4 . . ?
C168 C171 H17B 107.7 . . ?
H17A C171 H17B 109.5 . . ?
C168 C171 H17C 109.2 . . ?
H17A C171 H17C 109.5 . . ?
H17B C171 H17C 109.5 . . ?
N10 P10 C172 106.6(11) . . ?
N10 P10 C178 105.8(10) . . ?
C172 P10 C178 108.7(10) . . ?
N10 P10 Co10 108.9(7) . . ?
C172 P10 Co10 111.2(10) . . ?
C178 P10 Co10 115.3(10) . . ?
C184 N10 P10 119.8(9) . . ?
C184 N10 Co17 121.9(9) . . ?
P10 N10 Co17 117.6(8) . . ?
C173 C172 C177 120 . . ?
C173 C172 P10 120.9(13) . . ?
C177 C172 P10 119.1(13) . . ?
C172 C173 C174 120 . . ?
C172 C173 H173 120 . . ?
C174 C173 H173 120 . . ?
C175 C174 C173 120 . . ?
C175 C174 H174 120 . . ?
C173 C174 H174 120 . . ?
C174 C175 C176 120 . . ?
C174 C175 H175 120 . . ?
C176 C175 H175 120 . . ?
C175 C176 C177 120 . . ?
C175 C176 H176 120 . . ?
C177 C176 H176 120 . . ?
C176 C177 C172 120 . . ?
C176 C177 H177 120 . . ?
C172 C177 H177 120 . . ?
C179 C178 C183 120 . . ?
C179 C178 P10 121.4(12) . . ?
C183 C178 P10 118.5(12) . . ?
C178 C179 C180 120 . . ?
C178 C179 H179 120 . . ?
C180 C179 H179 120 . . ?
C179 C180 C181 120 . . ?
C179 C180 H180 120 . . ?
C181 C180 H180 120 . . ?
C182 C181 C180 120 . . ?
C182 C181 H181 120 . . ?
C180 C181 H181 120 . . ?
C181 C182 C183 120 . . ?
C181 C182 H182 120 . . ?
C183 C182 H182 120 . . ?
C182 C183 C178 120 . . ?
C182 C183 H183 120 . . ?
C178 C183 H183 120 . . ?
C185 C184 C189 120 . . ?
C185 C184 N10 118.1(7) . . ?
C189 C184 N10 121.9(7) . . ?
C184 C185 C186 120 . . ?
C184 C185 H185 120 . . ?
C186 C185 H185 120 . . ?
C187 C186 C185 120 . . ?
C187 C186 H186 120 . . ?
C185 C186 H186 120 . . ?
C186 C187 C188 120 . . ?
C186 C187 C190 124.5(15) . . ?
C188 C187 C190 115.5(15) . . ?
C189 C188 C187 120 . . ?
C189 C188 H188 120 . . ?
C187 C188 H188 120 . . ?
C188 C189 C184 120 . . ?
C188 C189 H189 120 . . ?
C184 C189 H189 120 . . ?
C187 C190 H19D 110.5 . . ?
C187 C190 H19E 109.2 . . ?
H19D C190 H19E 109.5 . . ?
C187 C190 H19F 108.7 . . ?
H19D C190 H19F 109.5 . . ?
H19E C190 H19F 109.5 . . ?
N11 Co18 N12 135.9(9) . . ?
N11 Co18 N18 109.3(8) . . ?
N12 Co18 N18 107.5(8) . . ?
N11 Co18 Se10 94.9(5) . . ?
N12 Co18 Se10 106.4(5) . . ?
N18 Co18 Se10 93.3(7) . . ?
C258 N18 C254 116.8(16) . . ?
C258 N18 Co18 120.6(14) . . ?
C254 N18 Co18 121.1(14) . . ?
N18 C254 C255 118.8(18) . . ?
N18 C254 H254 120.6 . . ?
C255 C254 H254 120.6 . . ?
C256 C255 C254 123.2(19) . . ?
C256 C255 H255 118.4 . . ?
C254 C255 H255 118.4 . . ?
C255 C256 C257 117.3(18) . . ?
C255 C256 C256 124(3) . 2_656 ?
C257 C256 C256 119(3) . 2_656 ?
C258 C257 C256 119(2) . . ?
C258 C257 H257 120.5 . . ?
C256 C257 H257 120.5 . . ?
C257 C258 N18 124.9(19) . . ?
C257 C258 H258 117.5 . . ?
N18 C258 H258 117.5 . . ?
N11 P11 C191 108.4(10) . . ?
N11 P11 C197 108.6(9) . . ?
C191 P11 C197 101.1(9) . . ?
N11 P11 Co11 112.3(7) . . ?
C191 P11 Co11 109.3(8) . . ?
C197 P11 Co11 116.4(8) . . ?
C203 N11 P11 123.9(12) . . ?
C203 N11 Co18 113.7(11) . . ?
P11 N11 Co18 121.9(10) . . ?
C192 C191 C196 120 . . ?
C192 C191 P11 120.5(11) . . ?
C196 C191 P11 119.2(11) . . ?
C191 C192 C193 120 . . ?
C191 C192 H192 120 . . ?
C193 C192 H192 120 . . ?
C192 C193 C194 120 . . ?
C192 C193 H193 120 . . ?
C194 C193 H193 120 . . ?
C195 C194 C193 120 . . ?
C195 C194 H194 120 . . ?
C193 C194 H194 120 . . ?
C194 C195 C196 120 . . ?
C194 C195 H195 120 . . ?
C196 C195 H195 120 . . ?
C195 C196 C191 120 . . ?
C195 C196 H196 120 . . ?
C191 C196 H196 120 . . ?
C198 C197 C202 120 . . ?
C198 C197 P11 117.2(10) . . ?
C202 C197 P11 122.8(10) . . ?
C197 C198 C199 120 . . ?
C197 C198 H198 120 . . ?
C199 C198 H198 120 . . ?
C200 C199 C198 120 . . ?
C200 C199 H199 120 . . ?
C198 C199 H199 120 . . ?
C201 C200 C199 120 . . ?
C201 C200 H200 120 . . ?
C199 C200 H200 120 . . ?
C200 C201 C202 120 . . ?
C200 C201 H201 120 . . ?
C202 C201 H201 120 . . ?
C201 C202 C197 120 . . ?
C201 C202 H202 120 . . ?
C197 C202 H202 120 . . ?
C204 C203 C208 120 . . ?
C204 C203 N11 117.5(13) . . ?
C208 C203 N11 121.2(13) . . ?
C203 C204 C205 120 . . ?
C203 C204 H204 120 . . ?
C205 C204 H204 120 . . ?
C204 C205 C206 120 . . ?
C204 C205 H205 120 . . ?
C206 C205 H205 120 . . ?
C207 C206 C205 120 . . ?
C207 C206 C209 118.1(15) . . ?
C205 C206 C209 121.3(15) . . ?
C206 C207 C208 120 . . ?
C206 C207 H207 120 . . ?
C208 C207 H207 120 . . ?
C207 C208 C203 120 . . ?
C207 C208 H208 120 . . ?
C203 C208 H208 120 . . ?
C206 C209 H20A 108.9 . . ?
C206 C209 H20B 109.1 . . ?
H20A C209 H20B 109.5 . . ?
C206 C209 H20C 110.3 . . ?
H20A C209 H20C 109.5 . . ?
H20B C209 H20C 109.5 . . ?
N12 P12 C216 109.3(9) . . ?
N12 P12 C210 105.6(10) . . ?
C216 P12 C210 105.9(9) . . ?
N12 P12 Co12 112.3(7) . . ?
C216 P12 Co12 110.4(8) . . ?
C210 P12 Co12 113.1(10) . . ?
C222 N12 P12 125.3(11) . . ?
C222 N12 Co18 117.8(10) . . ?
P12 N12 Co18 116.8(9) . . ?
C211 C210 C215 120 . . ?
C211 C210 P12 125.8(11) . . ?
C215 C210 P12 113.7(11) . . ?
C212 C211 C210 120 . . ?
C212 C211 H211 120 . . ?
C210 C211 H211 120 . . ?
C213 C212 C211 120 . . ?
C213 C212 H212 120 . . ?
C211 C212 H212 120 . . ?
C214 C213 C212 120 . . ?
C214 C213 H213 120 . . ?
C212 C213 H213 120 . . ?
C213 C214 C215 120 . . ?
C213 C214 H214 120 . . ?
C215 C214 H214 120 . . ?
C214 C215 C210 120 . . ?
C214 C215 H215 120 . . ?
C210 C215 H215 120 . . ?
C217 C216 C221 120 . . ?
C217 C216 P12 119.4(11) . . ?
C221 C216 P12 120.5(11) . . ?
C218 C217 C216 120 . . ?
C218 C217 H217 120 . . ?
C216 C217 H217 120 . . ?
C219 C218 C217 120 . . ?
C219 C218 H218 120 . . ?
C217 C218 H218 120 . . ?
C218 C219 C220 120 . . ?
C218 C219 H219 120 . . ?
C220 C219 H219 120 . . ?
C221 C220 C219 120 . . ?
C221 C220 H220 120 . . ?
C219 C220 H220 120 . . ?
C220 C221 C216 120 . . ?
C220 C221 H221 120 . . ?
C216 C221 H221 120 . . ?
C223 C222 C227 120 . . ?
C223 C222 N12 116.0(12) . . ?
C227 C222 N12 123.7(12) . . ?
C222 C223 C224 120 . . ?
C222 C223 H223 120 . . ?
C224 C223 H223 120 . . ?
C225 C224 C223 120 . . ?
C225 C224 H224 120 . . ?
C223 C224 H224 120 . . ?
C224 C225 C226 120 . . ?
C224 C225 C228 121.6(14) . . ?
C226 C225 C228 118.3(14) . . ?
C227 C226 C225 120 . . ?
C227 C226 H226 120 . . ?
C225 C226 H226 120 . . ?
C226 C227 C222 120 . . ?
C226 C227 H227 120 . . ?
C222 C227 H227 120 . . ?
C225 C228 H22A 108.9 . . ?
C225 C228 H22B 108.5 . . ?
H22A C228 H22B 109.5 . . ?
C225 C228 H22C 111 . . ?
H22A C228 H22C 109.5 . . ?
H22B C228 H22C 109.5 . . ?
P1 Co1 Se8 103.7(3) . . ?
P1 Co1 Se6 107.6(4) . . ?
Se8 Co1 Se6 88.0(2) . . ?
P1 Co1 Se2 93.4(3) . . ?
Se8 Co1 Se2 86.9(2) . . ?
Se6 Co1 Se2 159.0(2) . . ?
P1 Co1 Se1 97.2(3) . . ?
Se8 Co1 Se1 159.1(3) . . ?
Se6 Co1 Se1 86.5(2) . . ?
Se2 Co1 Se1 91.0(2) . . ?
P1 Co1 Co2 126.7(3) . . ?
Se8 Co1 Co2 112.0(2) . . ?
Se6 Co1 Co2 111.7(2) . . ?
Se2 Co1 Co2 52.27(17) . . ?
Se1 Co1 Co2 52.31(16) . . ?
P1 Co1 Co5 141.1(3) . . ?
Se8 Co1 Co5 51.25(16) . . ?
Se6 Co1 Co5 50.78(16) . . ?
Se2 Co1 Co5 111.6(2) . . ?
Se1 Co1 Co5 111.1(2) . . ?
Co2 Co1 Co5 92.15(18) . . ?
P1 Co1 Co6 138.6(3) . . ?
Se8 Co1 Co6 109.7(2) . . ?
Se6 Co1 Co6 51.38(17) . . ?
Se2 Co1 Co6 111.9(2) . . ?
Se1 Co1 Co6 52.19(16) . . ?
Co2 Co1 Co6 60.51(17) . . ?
Co5 Co1 Co6 59.01(16) . . ?
P1 Co1 Co3 131.8(4) . . ?
Se8 Co1 Co3 51.46(15) . . ?
Se6 Co1 Co3 111.1(2) . . ?
Se2 Co1 Co3 51.01(15) . . ?
Se1 Co1 Co3 112.5(2) . . ?
Co2 Co1 Co3 60.84(15) . . ?
Co5 Co1 Co3 60.83(16) . . ?
Co6 Co1 Co3 88.82(18) . . ?
P2 Co2 Se3 111.2(3) . . ?
P2 Co2 Se2 100.6(3) . . ?
Se3 Co2 Se2 85.7(2) . . ?
P2 Co2 Se1 89.5(3) . . ?
Se3 Co2 Se1 159.3(3) . . ?
Se2 Co2 Se1 91.6(2) . . ?
P2 Co2 Se7 102.7(3) . . ?
Se3 Co2 Se7 86.1(2) . . ?
Se2 Co2 Se7 156.7(2) . . ?
Se1 Co2 Se7 88.4(2) . . ?
P2 Co2 Co1 126.5(3) . . ?
Se3 Co2 Co1 111.2(2) . . ?
Se2 Co2 Co1 52.49(17) . . ?
Se1 Co2 Co1 52.86(16) . . ?
Se7 Co2 Co1 111.3(2) . . ?
P2 Co2 Co6 128.3(4) . . ?
Se3 Co2 Co6 109.8(2) . . ?
Se2 Co2 Co6 112.6(2) . . ?
Se1 Co2 Co6 52.54(16) . . ?
Se7 Co2 Co6 50.71(16) . . ?
Co1 Co2 Co6 61.07(18) . . ?
P2 Co2 Co3 141.9(4) . . ?
Se3 Co2 Co3 50.53(15) . . ?
Se2 Co2 Co3 51.09(15) . . ?
Se1 Co2 Co3 113.1(2) . . ?
Se7 Co2 Co3 107.9(2) . . ?
Co1 Co2 Co3 60.93(16) . . ?
Co6 Co2 Co3 89.18(19) . . ?
P2 Co2 Co4 142.8(3) . . ?
Se3 Co2 Co4 50.40(16) . . ?
Se2 Co2 Co4 108.5(2) . . ?
Se1 Co2 Co4 111.9(2) . . ?
Se7 Co2 Co4 50.68(15) . . ?
Co1 Co2 Co4 90.13(18) . . ?
Co6 Co2 Co4 59.68(16) . . ?
Co3 Co2 Co4 57.59(15) . . ?
P3 Co3 Se3 93.1(3) . . ?
P3 Co3 Se2 112.7(3) . . ?
Se3 Co3 Se2 86.15(19) . . ?
P3 Co3 Se8 109.7(3) . . ?
Se3 Co3 Se8 157.2(3) . . ?
Se2 Co3 Se8 86.46(19) . . ?
P3 Co3 Se4 87.8(3) . . ?
Se3 Co3 Se4 92.9(2) . . ?
Se2 Co3 Se4 159.5(3) . . ?
Se8 Co3 Se4 86.59(19) . . ?
P3 Co3 Co4 119.2(3) . . ?
Se3 Co3 Co4 52.31(17) . . ?
Se2 Co3 Co4 112.4(2) . . ?
Se8 Co3 Co4 111.7(2) . . ?
Se4 Co3 Co4 53.26(16) . . ?
P3 Co3 Co2 136.9(3) . . ?
Se3 Co3 Co2 51.06(15) . . ?
Se2 Co3 Co2 51.10(15) . . ?
Se8 Co3 Co2 108.6(2) . . ?
Se4 Co3 Co2 113.7(2) . . ?
Co4 Co3 Co2 61.47(16) . . ?
P3 Co3 Co1 149.8(3) . . ?
Se3 Co3 Co1 109.1(2) . . ?
Se2 Co3 Co1 51.24(16) . . ?
Se8 Co3 Co1 50.68(15) . . ?
Se4 Co3 Co1 110.5(2) . . ?
Co4 Co3 Co1 90.8(2) . . ?
Co2 Co3 Co1 58.23(15) . . ?
P3 Co3 Co5 130.4(3) . . ?
Se3 Co3 Co5 113.0(2) . . ?
Se2 Co3 Co5 110.6(2) . . ?
Se8 Co3 Co5 50.51(16) . . ?
Se4 Co3 Co5 51.26(16) . . ?
Co4 Co3 Co5 61.63(17) . . ?
Co2 Co3 Co5 89.84(19) . . ?
Co1 Co3 Co5 59.53(16) . . ?
P4 Co4 Se3 94.4(3) . . ?
P4 Co4 Se7 98.0(3) . . ?
Se3 Co4 Se7 86.8(2) . . ?
P4 Co4 Se5 106.8(3) . . ?
Se3 Co4 Se5 158.5(2) . . ?
Se7 Co4 Se5 86.5(2) . . ?
P4 Co4 Se4 103.9(3) . . ?
Se3 Co4 Se4 92.6(2) . . ?
Se7 Co4 Se4 158.1(2) . . ?
Se5 Co4 Se4 86.2(2) . . ?
P4 Co4 Co3 131.4(3) . . ?
Se3 Co4 Co3 52.19(16) . . ?
Se7 Co4 Co3 111.8(2) . . ?
Se5 Co4 Co3 112.3(2) . . ?
Se4 Co4 Co3 52.99(16) . . ?
P4 Co4 Co6 136.7(3) . . ?
Se3 Co4 Co6 110.2(2) . . ?
Se7 Co4 Co6 50.79(16) . . ?
Se5 Co4 Co6 50.89(16) . . ?
Se4 Co4 Co6 109.7(2) . . ?
Co3 Co4 Co6 91.14(19) . . ?
P4 Co4 Co2 128.5(3) . . ?
Se3 Co4 Co2 50.81(16) . . ?
Se7 Co4 Co2 51.22(16) . . ?
Se5 Co4 Co2 110.2(2) . . ?
Se4 Co4 Co2 113.0(2) . . ?
Co3 Co4 Co2 60.95(16) . . ?
Co6 Co4 Co2 59.65(16) . . ?
P4 Co4 Co5 142.0(3) . . ?
Se3 Co4 Co5 112.7(2) . . ?
Se7 Co4 Co5 109.2(2) . . ?
Se5 Co4 Co5 51.13(17) . . ?
Se4 Co4 Co5 51.15(15) . . ?
Co3 Co4 Co5 61.48(17) . . ?
Co6 Co4 Co5 58.70(16) . . ?
Co2 Co4 Co5 89.48(18) . . ?
P5 Co5 Se6 93.0(3) . . ?
P5 Co5 Se8 99.4(3) . . ?
Se6 Co5 Se8 87.8(2) . . ?
P5 Co5 Se5 105.2(4) . . ?
Se6 Co5 Se5 90.5(2) . . ?
Se8 Co5 Se5 155.4(3) . . ?
P5 Co5 Se4 109.1(3) . . ?
Se6 Co5 Se4 157.8(3) . . ?
Se8 Co5 Se4 86.5(2) . . ?
Se5 Co5 Se4 85.8(2) . . ?
P5 Co5 Co6 130.9(4) . . ?
Se6 Co5 Co6 52.14(16) . . ?
Se8 Co5 Co6 110.7(2) . . ?
Se5 Co5 Co6 51.27(16) . . ?
Se4 Co5 Co6 110.5(2) . . ?
P5 Co5 Co1 127.5(3) . . ?
Se6 Co5 Co1 51.07(16) . . ?
Se8 Co5 Co1 50.78(15) . . ?
Se5 Co5 Co1 111.0(2) . . ?
Se4 Co5 Co1 110.2(2) . . ?
Co6 Co5 Co1 60.51(16) . . ?
P5 Co5 Co3 139.2(3) . . ?
Se6 Co5 Co3 110.2(2) . . ?
Se8 Co5 Co3 50.82(16) . . ?
Se5 Co5 Co3 107.5(2) . . ?
Se4 Co5 Co3 50.84(15) . . ?
Co6 Co5 Co3 88.99(19) . . ?
Co1 Co5 Co3 59.64(16) . . ?
P5 Co5 Co4 144.2(3) . . ?
Se6 Co5 Co4 111.0(2) . . ?
Se8 Co5 Co4 107.3(2) . . ?
Se5 Co5 Co4 50.80(17) . . ?
Se4 Co5 Co4 50.99(16) . . ?
Co6 Co5 Co4 59.68(16) . . ?
Co1 Co5 Co4 88.13(18) . . ?
Co3 Co5 Co4 56.90(16) . . ?
P6 Co6 Se7 107.4(4) . . ?
P6 Co6 Se5 89.7(3) . . ?
Se7 Co6 Se5 87.7(2) . . ?
P6 Co6 Se6 94.6(3) . . ?
Se7 Co6 Se6 158.0(3) . . ?
Se5 Co6 Se6 91.0(2) . . ?
P6 Co6 Se1 110.2(3) . . ?
Se7 Co6 Se1 88.2(2) . . ?
Se5 Co6 Se1 160.0(3) . . ?
Se6 Co6 Se1 85.6(2) . . ?
P6 Co6 Co5 121.6(3) . . ?
Se7 Co6 Co5 112.6(2) . . ?
Se5 Co6 Co5 52.68(16) . . ?
Se6 Co6 Co5 51.38(16) . . ?
Se1 Co6 Co5 111.8(2) . . ?
P6 Co6 Co2 146.6(4) . . ?
Se7 Co6 Co2 51.79(17) . . ?
Se5 Co6 Co2 112.3(2) . . ?
Se6 Co6 Co2 109.2(2) . . ?
Se1 Co6 Co2 51.21(16) . . ?
Co5 Co6 Co2 91.8(2) . . ?
P6 Co6 Co4 131.5(3) . . ?
Se7 Co6 Co4 51.33(15) . . ?
Se5 Co6 Co4 51.93(16) . . ?
Se6 Co6 Co4 112.1(2) . . ?
Se1 Co6 Co4 111.5(2) . . ?
Co5 Co6 Co4 61.62(16) . . ?
Co2 Co6 Co4 60.67(17) . . ?
P6 Co6 Co1 137.1(3) . . ?
Se7 Co6 Co1 109.7(2) . . ?
Se5 Co6 Co1 112.3(2) . . ?
Se6 Co6 Co1 50.93(17) . . ?
Se1 Co6 Co1 51.39(16) . . ?
Co5 Co6 Co1 60.47(16) . . ?
Co2 Co6 Co1 58.42(17) . . ?
Co4 Co6 Co1 89.2(2) . . ?
Co2 Se1 Co1 74.8(2) . . ?
Co2 Se1 Co6 76.3(2) . . ?
Co1 Se1 Co6 76.4(2) . . ?
Co2 Se1 Co13 90.5(2) . . ?
Co1 Se1 Co13 88.7(2) . . ?
Co6 Se1 Co13 162.1(2) . . ?
Co3 Se2 Co2 77.80(19) . . ?
Co3 Se2 Co1 77.75(19) . . ?
Co2 Se2 Co1 75.2(2) . . ?
Co3 Se3 Co4 75.5(2) . . ?
Co3 Se3 Co2 78.4(2) . . ?
Co4 Se3 Co2 78.8(2) . . ?
Co3 Se4 Co4 73.74(19) . . ?
Co3 Se4 Co5 77.90(19) . . ?
Co4 Se4 Co5 77.9(2) . . ?
Co3 Se4 Co14 97.2(2) . . ?
Co4 Se4 Co14 86.8(2) . . ?
Co5 Se4 Co14 164.6(2) . . ?
Co6 Se5 Co4 77.2(2) . . ?
Co6 Se5 Co5 76.0(2) . . ?
Co4 Se5 Co5 78.1(2) . . ?
Co6 Se5 Co15 92.3(2) . . ?
Co4 Se5 Co15 160.7(2) . . ?
Co5 Se5 Co15 83.7(2) . . ?
Co5 Se6 Co1 78.1(2) . . ?
Co5 Se6 Co6 76.5(2) . . ?
Co1 Se6 Co6 77.7(2) . . ?
Co6 Se7 Co4 77.9(2) . . ?
Co6 Se7 Co2 77.5(2) . . ?
Co4 Se7 Co2 78.1(2) . . ?
Co1 Se8 Co5 78.0(2) . . ?
Co1 Se8 Co3 77.86(19) . . ?
Co5 Se8 Co3 78.7(2) . . ?
P7 Co7 Se14 93.8(5) . . ?
P7 Co7 Se16 103.3(5) . . ?
Se14 Co7 Se16 85.6(2) . . ?
P7 Co7 Se10 107.7(5) . . ?
Se14 Co7 Se10 158.1(2) . . ?
Se16 Co7 Se10 85.6(2) . . ?
P7 Co7 Se9 98.6(4) . . ?
Se14 Co7 Se9 92.3(2) . . ?
Se16 Co7 Se9 158.1(3) . . ?
Se10 Co7 Se9 88.4(2) . . ?
P7 Co7 Co8 128.3(5) . . ?
Se14 Co7 Co8 52.60(18) . . ?
Se16 Co7 Co8 110.5(2) . . ?
Se10 Co7 Co8 112.8(2) . . ?
Se9 Co7 Co8 53.11(17) . . ?
P7 Co7 Co12 139.4(5) . . ?
Se14 Co7 Co12 113.1(2) . . ?
Se16 Co7 Co12 108.4(2) . . ?
Se10 Co7 Co12 51.68(17) . . ?
Se9 Co7 Co12 52.62(16) . . ?
Co8 Co7 Co12 61.48(18) . . ?
P7 Co7 Co9 130.8(5) . . ?
Se14 Co7 Co9 50.25(16) . . ?
Se16 Co7 Co9 50.37(16) . . ?
Se10 Co7 Co9 109.8(2) . . ?
Se9 Co7 Co9 113.0(2) . . ?
Co8 Co7 Co9 60.52(16) . . ?
Co12 Co7 Co9 89.41(18) . . ?
P7 Co7 Co11 140.9(5) . . ?
Se14 Co7 Co11 109.7(2) . . ?
Se16 Co7 Co11 50.53(15) . . ?
Se10 Co7 Co11 50.30(15) . . ?
Se9 Co7 Co11 110.7(2) . . ?
Co8 Co7 Co11 90.50(19) . . ?
Co12 Co7 Co11 58.28(15) . . ?
Co9 Co7 Co11 59.65(16) . . ?
P8 Co8 Se13 108.2(4) . . ?
P8 Co8 Se14 98.2(4) . . ?
Se13 Co8 Se14 85.9(2) . . ?
P8 Co8 Se15 105.2(4) . . ?
Se13 Co8 Se15 87.2(2) . . ?
Se14 Co8 Se15 156.6(3) . . ?
P8 Co8 Se9 90.9(3) . . ?
Se13 Co8 Se9 160.9(3) . . ?
Se14 Co8 Se9 91.7(2) . . ?
Se15 Co8 Se9 87.5(2) . . ?
P8 Co8 Co7 125.5(4) . . ?
Se13 Co8 Co7 112.7(2) . . ?
Se14 Co8 Co7 52.07(18) . . ?
Se15 Co8 Co7 111.2(3) . . ?
Se9 Co8 Co7 52.86(17) . . ?
P8 Co8 Co10 143.4(4) . . ?
Se13 Co8 Co10 51.57(16) . . ?
Se14 Co8 Co10 108.7(2) . . ?
Se15 Co8 Co10 50.84(16) . . ?
Se9 Co8 Co10 112.1(3) . . ?
Co7 Co8 Co10 90.9(2) . . ?
P8 Co8 Co9 138.2(4) . . ?
Se13 Co8 Co9 50.98(17) . . ?
Se14 Co8 Co9 50.77(16) . . ?
Se15 Co8 Co9 108.7(2) . . ?
Se9 Co8 Co9 114.0(3) . . ?
Co7 Co8 Co9 61.85(17) . . ?
Co10 Co8 Co9 58.21(17) . . ?
P8 Co8 Co12 131.1(4) . . ?
Se13 Co8 Co12 111.3(2) . . ?
Se14 Co8 Co12 112.0(3) . . ?
Se15 Co8 Co12 50.68(17) . . ?
Se9 Co8 Co12 52.32(17) . . ?
Co7 Co8 Co12 60.89(18) . . ?
Co10 Co8 Co12 59.99(17) . . ?
Co9 Co8 Co12 89.8(2) . . ?
P9 Co9 Se14 113.9(4) . . ?
P9 Co9 Se13 98.1(4) . . ?
Se14 Co9 Se13 86.2(2) . . ?
P9 Co9 Se16 105.4(4) . . ?
Se14 Co9 Se16 85.7(2) . . ?
Se13 Co9 Se16 156.4(3) . . ?
P9 Co9 Se12 86.4(4) . . ?
Se14 Co9 Se12 159.6(3) . . ?
Se13 Co9 Se12 92.3(2) . . ?
Se16 Co9 Se12 87.6(2) . . ?
P9 Co9 Co10 122.8(4) . . ?
Se14 Co9 Co10 111.7(2) . . ?
Se13 Co9 Co10 52.75(17) . . ?
Se16 Co9 Co10 110.6(2) . . ?
Se12 Co9 Co10 53.36(16) . . ?
P9 Co9 Co8 141.6(4) . . ?
Se14 Co9 Co8 51.20(17) . . ?
Se13 Co9 Co8 50.93(16) . . ?
Se16 Co9 Co8 107.8(2) . . ?
Se12 Co9 Co8 113.4(2) . . ?
Co10 Co9 Co8 60.75(17) . . ?
P9 Co9 Co11 127.2(4) . . ?
Se14 Co9 Co11 110.4(2) . . ?
Se13 Co9 Co11 112.2(2) . . ?
Se16 Co9 Co11 50.93(17) . . ?
Se12 Co9 Co11 51.65(16) . . ?
Co10 Co9 Co11 60.32(18) . . ?
Co8 Co9 Co11 89.3(2) . . ?
P9 Co9 Co7 146.6(4) . . ?
Se14 Co9 Co7 50.18(17) . . ?
Se13 Co9 Co7 108.4(2) . . ?
Se16 Co9 Co7 50.60(16) . . ?
Se12 Co9 Co7 111.8(2) . . ?
Co10 Co9 Co7 89.94(19) . . ?
Co8 Co9 Co7 57.62(16) . . ?
Co11 Co9 Co7 60.41(17) . . ?
P10 Co10 Se15 102.1(4) . . ?
P10 Co10 Se11 104.9(4) . . ?
Se15 Co10 Se11 86.9(2) . . ?
P10 Co10 Se13 96.2(4) . . ?
Se15 Co10 Se13 87.3(2) . . ?
Se11 Co10 Se13 158.8(3) . . ?
P10 Co10 Se12 98.7(3) . . ?
Se15 Co10 Se12 159.1(3) . . ?
Se11 Co10 Se12 87.0(2) . . ?
Se13 Co10 Se12 91.3(2) . . ?
P10 Co10 Co9 129.9(3) . . ?
Se15 Co10 Co9 112.2(2) . . ?
Se11 Co10 Co9 112.1(2) . . ?
Se13 Co10 Co9 52.17(18) . . ?
Se12 Co10 Co9 52.60(17) . . ?
P10 Co10 Co11 137.0(4) . . ?
Se15 Co10 Co11 109.7(2) . . ?
Se11 Co10 Co11 50.63(16) . . ?
Se13 Co10 Co11 113.1(2) . . ?
Se12 Co10 Co11 52.15(16) . . ?
Co9 Co10 Co11 61.76(18) . . ?
P10 Co10 Co8 132.6(4) . . ?
Se15 Co10 Co8 51.51(17) . . ?
Se11 Co10 Co8 110.8(2) . . ?
Se13 Co10 Co8 50.97(16) . . ?
Se12 Co10 Co8 113.0(2) . . ?
Co9 Co10 Co8 61.04(17) . . ?
Co11 Co10 Co8 90.21(19) . . ?
P10 Co10 Co12 138.2(3) . . ?
Se15 Co10 Co12 51.08(16) . . ?
Se11 Co10 Co12 50.56(16) . . ?
Se13 Co10 Co12 111.3(2) . . ?
Se12 Co10 Co12 110.9(2) . . ?
Co9 Co10 Co12 91.83(19) . . ?
Co11 Co10 Co12 58.99(16) . . ?
Co8 Co10 Co12 60.60(16) . . ?
P11 Co11 Se11 93.8(3) . . ?
P11 Co11 Se10 90.9(3) . . ?
Se11 Co11 Se10 91.5(2) . . ?
P11 Co11 Se16 110.1(3) . . ?
Se11 Co11 Se16 156.0(3) . . ?
Se10 Co11 Se16 85.58(19) . . ?
P11 Co11 Se12 110.2(3) . . ?
Se11 Co11 Se12 87.7(2) . . ?
Se10 Co11 Se12 158.9(3) . . ?
Se16 Co11 Se12 86.6(2) . . ?
P11 Co11 Co12 121.6(3) . . ?
Se11 Co11 Co12 51.61(15) . . ?
Se10 Co11 Co12 52.60(16) . . ?
Se16 Co11 Co12 110.0(2) . . ?
Se12 Co11 Co12 112.7(2) . . ?
P11 Co11 Co10 136.6(3) . . ?
Se11 Co11 Co10 51.65(17) . . ?
Se10 Co11 Co10 112.4(2) . . ?
Se16 Co11 Co10 107.8(2) . . ?
Se12 Co11 Co10 52.09(16) . . ?
Co12 Co11 Co10 60.86(16) . . ?
P11 Co11 Co9 147.7(3) . . ?
Se11 Co11 Co9 109.3(2) . . ?
Se10 Co11 Co9 110.2(2) . . ?
Se16 Co11 Co9 50.47(17) . . ?
Se12 Co11 Co9 50.88(16) . . ?
Co12 Co11 Co9 90.7(2) . . ?
Co10 Co11 Co9 57.92(17) . . ?
P11 Co11 Co7 132.6(3) . . ?
Se11 Co11 Co7 110.9(2) . . ?
Se10 Co11 Co7 50.45(16) . . ?
Se16 Co11 Co7 50.31(16) . . ?
Se12 Co11 Co7 110.6(2) . . ?
Co12 Co11 Co7 60.14(16) . . ?
Co10 Co11 Co7 88.3(2) . . ?
Co9 Co11 Co7 59.94(17) . . ?
P12 Co12 Se11 91.4(3) . . ?
P12 Co12 Se15 102.1(3) . . ?
Se11 Co12 Se15 87.1(2) . . ?
P12 Co12 Se10 102.1(3) . . ?
Se11 Co12 Se10 90.5(2) . . ?
Se15 Co12 Se10 155.8(3) . . ?
P12 Co12 Se9 110.0(3) . . ?
Se11 Co12 Se9 158.5(3) . . ?
Se15 Co12 Se9 86.7(2) . . ?
Se10 Co12 Se9 86.7(2) . . ?
P12 Co12 Co11 127.1(4) . . ?
Se11 Co12 Co11 51.30(16) . . ?
Se15 Co12 Co11 110.4(2) . . ?
Se10 Co12 Co11 51.69(15) . . ?
Se9 Co12 Co11 112.5(2) . . ?
P12 Co12 Co10 128.6(3) . . ?
Se11 Co12 Co10 51.27(16) . . ?
Se15 Co12 Co10 50.61(16) . . ?
Se10 Co12 Co10 110.8(2) . . ?
Se9 Co12 Co10 110.3(2) . . ?
Co11 Co12 Co10 60.15(16) . . ?
P12 Co12 Co7 142.2(3) . . ?
Se11 Co12 Co7 112.0(2) . . ?
Se15 Co12 Co7 108.1(2) . . ?
Se10 Co12 Co7 50.95(17) . . ?
Se9 Co12 Co7 51.13(16) . . ?
Co11 Co12 Co7 61.58(16) . . ?
Co10 Co12 Co7 88.71(18) . . ?
P12 Co12 Co8 142.0(3) . . ?
Se11 Co12 Co8 110.3(2) . . ?
Se15 Co12 Co8 50.87(17) . . ?
Se10 Co12 Co8 108.2(2) . . ?
Se9 Co12 Co8 51.08(16) . . ?
Co11 Co12 Co8 90.20(19) . . ?
Co10 Co12 Co8 59.42(16) . . ?
Co7 Co12 Co8 57.64(18) . . ?
Co7 Se9 Co8 74.0(2) . . ?
Co7 Se9 Co12 76.2(2) . . ?
Co8 Se9 Co12 76.6(2) . . ?
Co7 Se9 Co16 87.8(2) . . ?
Co8 Se9 Co16 90.5(2) . . ?
Co12 Se9 Co16 161.7(2) . . ?
Co11 Se10 Co7 79.3(2) . . ?
Co11 Se10 Co12 75.72(19) . . ?
Co7 Se10 Co12 77.4(2) . . ?
Co11 Se10 Co18 96.5(2) . . ?
Co7 Se10 Co18 167.1(3) . . ?
Co12 Se10 Co18 89.8(2) . . ?
Co11 Se11 Co12 77.1(2) . . ?
Co11 Se11 Co10 77.7(2) . . ?
Co12 Se11 Co10 78.2(2) . . ?
Co9 Se12 Co10 74.0(2) . . ?
Co9 Se12 Co11 77.5(2) . . ?
Co10 Se12 Co11 75.76(19) . . ?
Co9 Se12 Co17 95.1(2) . . ?
Co10 Se12 Co17 89.3(2) . . ?
Co11 Se12 Co17 164.6(2) . . ?
Co8 Se13 Co9 78.1(2) . . ?
Co8 Se13 Co10 77.5(2) . . ?
Co9 Se13 Co10 75.1(2) . . ?
Co7 Se14 Co9 79.6(2) . . ?
Co7 Se14 Co8 75.3(2) . . ?
Co9 Se14 Co8 78.0(2) . . ?
Co10 Se15 Co12 78.3(2) . . ?
Co10 Se15 Co8 77.6(2) . . ?
Co12 Se15 Co8 78.4(2) . . ?
Co9 Se16 Co7 79.0(2) . . ?
Co9 Se16 Co11 78.6(2) . . ?
Co7 Se16 Co11 79.2(2) . . ?


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#                   SQUEEZE DETAILS                                          #
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