# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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. 
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#######################################################################

data_znz6944_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2046147'
loop_
_audit_author_name
_audit_author_address
'Zhaolong Wang'
;Shannxi Normal University
China
;
_audit_update_record             
;
2020-11-24 deposited with the CCDC.	2022-05-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C105 H87 Cl0 Co2 N7 O5'
_chemical_formula_weight         1644.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -0.6628 2.9049 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.044(10)
_cell_length_b                   32.231(19)
_cell_length_c                   16.800(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9770(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    235(2)
_cell_measurement_reflns_used    691
_cell_measurement_theta_min      11.94
_cell_measurement_theta_max      50.90

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.118
_exptl_crystal_F_000             3440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    2.129
_shelx_estimated_absorpt_T_min   0.815
_shelx_estimated_absorpt_T_max   0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5565
_exptl_absorpt_correction_T_max  0.7501
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      235(2)
_diffrn_radiation_wavelength     1.34139
_diffrn_radiation_type           GaK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71096
_diffrn_reflns_av_unetI/netI     0.2619
_diffrn_reflns_av_R_equivalents  0.2030
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.385
_diffrn_reflns_theta_max         51.587
_diffrn_reflns_theta_full        51.587
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             15928
_reflns_number_gt                4649
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.819
_reflns_Friedel_fraction_max     0.966
_reflns_Friedel_fraction_full    0.966

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component inversion 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)+(0.0950P)²+1.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.446(16)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         15928
_refine_ls_number_parameters     1042
_refine_ls_number_restraints     828
_refine_ls_R_factor_all          0.2599
_refine_ls_R_factor_gt           0.0911
_refine_ls_wR_factor_ref         0.2967
_refine_ls_wR_factor_gt          0.2116
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_restrained_S_all      0.905
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C4_1 C 0.2158(10) 0.4429(5) 0.2042(9) 0.086(4) Uani 1 1 d . U . . .
C5_1 C 0.2931(10) 0.4465(5) 0.2031(9) 0.090(4) Uani 1 1 d . U . . .
H5_1 H 0.324416 0.423625 0.195010 0.108 Uiso 1 1 calc R U . . .
C6_1 C 0.3208(11) 0.4876(5) 0.2151(10) 0.103(4) Uani 1 1 d . U . . .
H6_1 H 0.372306 0.492035 0.215684 0.124 Uiso 1 1 calc R U . . .
C7_1 C 0.2748(12) 0.5202(6) 0.2256(11) 0.113(5) Uani 1 1 d . U . . .
H7_1 H 0.295629 0.546587 0.234162 0.136 Uiso 1 1 calc R U . . .
C8_1 C 0.1980(12) 0.5165(5) 0.2244(10) 0.106(4) Uani 1 1 d . U . . .
H8_1 H 0.166559 0.539607 0.229188 0.127 Uiso 1 1 calc R U . . .
C9_1 C 0.1709(11) 0.4767(5) 0.2158(10) 0.094(4) Uani 1 1 d . U . . .
C10_1 C 0.0960(11) 0.4600(5) 0.2129(10) 0.094(4) Uani 1 1 d . U . . .
C11_1 C 0.1000(10) 0.4162(5) 0.2006(10) 0.087(4) Uani 1 1 d . U . . .
C12_1 C 0.0256(11) 0.4781(6) 0.2218(10) 0.108(4) Uani 1 1 d . U . . .
H12_1 H 0.020888 0.506482 0.233272 0.129 Uiso 1 1 calc R U . . .
C13_1 C -0.0411(11) 0.4516(6) 0.2128(11) 0.113(5) Uani 1 1 d . U . . .
H13_1 H -0.088287 0.463957 0.214016 0.135 Uiso 1 1 calc R U . . .
C14_1 C -0.0357(10) 0.4100(6) 0.2030(10) 0.112(4) Uani 1 1 d . U . . .
H14_1 H -0.078362 0.393256 0.201734 0.135 Uiso 1 1 calc R U . . .
C15_1 C 0.0407(10) 0.3910(5) 0.1942(10) 0.101(4) Uani 1 1 d . U . . .
H15_1 H 0.046609 0.362474 0.184480 0.122 Uiso 1 1 calc R U . . .
C16_1 C 0.2061(8) 0.3649(4) 0.1900(9) 0.075(3) Uani 1 1 d . U . . .
C17_1 C 0.2562(8) 0.3534(4) 0.1259(9) 0.073(3) Uani 1 1 d . U . . .
C18_1 C 0.2870(8) 0.3128(4) 0.1281(8) 0.068(3) Uani 1 1 d . U . . .
C19_1 C 0.2677(7) 0.2833(4) 0.1891(8) 0.065(3) Uani 1 1 d . U . . .
C20_1 C 0.2141(7) 0.2955(4) 0.2507(8) 0.064(3) Uani 1 1 d . U . . .
C21_1 C 0.1883(8) 0.3372(4) 0.2500(8) 0.069(3) Uani 1 1 d . U . . .
H21_1 H 0.157875 0.346358 0.291890 0.083 Uiso 1 1 calc R U . . .
C22_1 C 0.2623(10) 0.3789(5) 0.0551(10) 0.083(4) Uani 1 1 d . U . . .
C23_1 C 0.3633(9) 0.3319(5) 0.0121(10) 0.081(4) Uani 1 1 d . U . . .
C24_1 C 0.3440(8) 0.3013(4) 0.0696(9) 0.071(3) Uani 1 1 d . U . . .
C25_1 C 0.2971(8) 0.2429(4) 0.1888(8) 0.067(3) Uani 1 1 d . U . . .
C26_1 C 0.2749(7) 0.2131(4) 0.2493(8) 0.061(3) Uani 1 1 d . U . . .
C27_1 C 0.2207(7) 0.2248(4) 0.3067(8) 0.063(3) Uani 1 1 d . U . . .
C28_1 C 0.1921(8) 0.2654(4) 0.3086(8) 0.063(3) Uani 1 1 d . U . . .
C29_1 C 0.3705(8) 0.2598(5) 0.0714(9) 0.072(3) Uani 1 1 d . U . . .
C30_1 C 0.3503(8) 0.2319(5) 0.1279(9) 0.072(4) Uani 1 1 d . U . . .
H30_1 H 0.371231 0.205233 0.127587 0.087 Uiso 1 1 calc R U . . .
C31_1 C 0.3385(11) 0.3950(5) -0.0613(11) 0.108(4) Uani 1 1 d . U . . .
H31_1 H 0.384641 0.383858 -0.084917 0.129 Uiso 1 1 calc R U . . .
C32_1 C 0.3558(12) 0.4378(6) -0.0459(12) 0.128(5) Uani 1 1 d . U . . .
H32A_1 H 0.312120 0.450973 -0.022227 0.153 Uiso 1 1 calc R U . . .
H32B_1 H 0.365324 0.451537 -0.096902 0.153 Uiso 1 1 calc R U . . .
C33_1 C 0.4206(12) 0.4454(6) 0.0076(15) 0.153(7) Uani 1 1 d . U . . .
H33A_1 H 0.462746 0.429326 -0.010810 0.229 Uiso 1 1 calc R U . . .
H33B_1 H 0.408124 0.437124 0.061470 0.229 Uiso 1 1 calc R U . . .
H33C_1 H 0.433127 0.474663 0.006861 0.229 Uiso 1 1 calc R U . . .
C34_1 C 0.3032(8) 0.1722(4) 0.2507(9) 0.076(4) Uani 1 1 d . U . . .
H34_1 H 0.335341 0.163842 0.209690 0.091 Uiso 1 1 calc R U . . .
C35_1 C 0.2010(8) 0.1944(4) 0.3656(8) 0.066(3) Uani 1 1 d . U . . .
C36_1 C 0.2331(8) 0.1544(4) 0.3705(9) 0.067(3) Uani 1 1 d . U . . .
C37_1 C 0.2859(8) 0.1446(4) 0.3086(9) 0.076(3) Uani 1 1 d . U . . .
C38_1 C 0.1399(8) 0.2749(4) 0.3724(9) 0.072(4) Uani 1 1 d . U . . .
H38_1 H 0.121728 0.302135 0.377683 0.087 Uiso 1 1 calc R U . . .
C39_1 C 0.1435(8) 0.2053(4) 0.4259(9) 0.070(3) Uani 1 1 d . U . . .
C40_1 C 0.1179(8) 0.2461(5) 0.4224(9) 0.072(3) Uani 1 1 d . U . . .
C41_1 C 0.3964(9) 0.2320(5) -0.0661(10) 0.085(4) Uani 1 1 d . U . . .
C42_1 C 0.4571(9) 0.2251(5) -0.1147(10) 0.084(4) Uani 1 1 d . U . . .
C43_1 C 0.5226(10) 0.2346(5) -0.0693(10) 0.087(4) Uani 1 1 d . U . . .
C44_1 C 0.4970(8) 0.2465(5) 0.0057(10) 0.082(3) Uani 1 1 d . U . . .
C45_1 C 0.2766(11) 0.3890(6) -0.1320(12) 0.124(5) Uani 1 1 d . U . . .
H45A_1 H 0.230282 0.402012 -0.114587 0.149 Uiso 1 1 calc R U . . .
H45B_1 H 0.293712 0.403992 -0.179287 0.149 Uiso 1 1 calc R U . . .
C46_1 C 0.2598(13) 0.3440(7) -0.1561(13) 0.161(8) Uani 1 1 d . U . . .
H46A_1 H 0.221343 0.343757 -0.196376 0.241 Uiso 1 1 calc R U . . .
H46B_1 H 0.243143 0.328614 -0.109787 0.241 Uiso 1 1 calc R U . . .
H46C_1 H 0.304340 0.331250 -0.177198 0.241 Uiso 1 1 calc R U . . .
C47_1 C 0.2200(10) 0.1258(5) 0.4344(10) 0.084(4) Uani 1 1 d . U . . .
C48_1 C 0.1146(10) 0.1733(5) 0.4765(10) 0.087(4) Uani 1 1 d . U . . .
C49_1 C 0.3931(9) 0.0938(5) 0.3303(9) 0.079(3) Uani 1 1 d . U . . .
C50_1 C 0.4057(10) 0.0526(5) 0.3133(9) 0.086(4) Uani 1 1 d . U . . .
C51_1 C 0.3372(10) 0.0357(6) 0.2763(11) 0.100(4) Uani 1 1 d . U . . .
C52_1 C 0.2889(10) 0.0679(5) 0.2750(10) 0.088(4) Uani 1 1 d . U . . .
C53_1 C -0.0130(9) 0.2604(4) 0.4833(10) 0.080(3) Uani 1 1 d . U . . .
C54_1 C -0.0383(9) 0.2676(5) 0.5586(10) 0.086(4) Uani 1 1 d . U . . .
C55_1 C 0.0203(10) 0.2708(5) 0.6132(10) 0.089(4) Uani 1 1 d . U . . .
C56_1 C 0.0863(9) 0.2644(4) 0.5621(10) 0.081(3) Uani 1 1 d . U . . .
C57_1 C 0.3229(10) 0.2262(5) -0.0927(10) 0.106(4) Uani 1 1 d . U . . .
H57_1 H 0.282197 0.231496 -0.059262 0.127 Uiso 1 1 calc R U . . .
C58_1 C 0.3128(10) 0.2119(6) -0.1723(11) 0.114(4) Uani 1 1 d . U . . .
H58_1 H 0.264600 0.207010 -0.191336 0.136 Uiso 1 1 calc R U . . .
C59_1 C 0.3748(11) 0.2049(6) -0.2238(11) 0.113(5) Uani 1 1 d . U . . .
H59_1 H 0.368449 0.195981 -0.276573 0.136 Uiso 1 1 calc R U . . .
C60_1 C 0.4444(10) 0.2120(5) -0.1921(10) 0.097(4) Uani 1 1 d . U . . .
H60_1 H 0.485733 0.207672 -0.225116 0.117 Uiso 1 1 calc R U . . .
C61_1 C 0.5970(10) 0.2339(5) -0.0852(11) 0.108(4) Uani 1 1 d . U . . .
H61_1 H 0.614725 0.227791 -0.136456 0.130 Uiso 1 1 calc R U . . .
C62_1 C 0.6444(11) 0.2423(6) -0.0242(12) 0.126(5) Uani 1 1 d . U . . .
H62_1 H 0.695640 0.239461 -0.032560 0.151 Uiso 1 1 calc R U . . .
C63_1 C 0.6182(10) 0.2555(6) 0.0522(11) 0.122(5) Uani 1 1 d . U . . .
H63A_1 H 0.640198 0.237133 0.092274 0.147 Uiso 1 1 calc R U . . .
H63B_1 H 0.637758 0.283405 0.061995 0.147 Uiso 1 1 calc R U . . .
C64_1 C 0.5405(9) 0.2566(5) 0.0659(11) 0.100(4) Uani 1 1 d . U . . .
H64_1 H 0.520849 0.264309 0.115599 0.120 Uiso 1 1 calc R U . . .
C65_1 C 0.1311(12) 0.1055(6) 0.5448(11) 0.121(4) Uani 1 1 d . U . . .
H65_1 H 0.085874 0.119360 0.564962 0.145 Uiso 1 1 calc R U . . .
C66_1 C 0.1762(14) 0.1078(7) 0.6126(12) 0.146(6) Uani 1 1 d . U . . .
H66A_1 H 0.217655 0.089057 0.601453 0.175 Uiso 1 1 calc R U . . .
H66B_1 H 0.147340 0.094366 0.654773 0.175 Uiso 1 1 calc R U . . .
C67_1 C 0.2096(13) 0.1431(7) 0.6505(12) 0.155(8) Uani 1 1 d . U . . .
H67A_1 H 0.244155 0.156132 0.614056 0.233 Uiso 1 1 calc R U . . .
H67B_1 H 0.235837 0.134137 0.697898 0.233 Uiso 1 1 calc R U . . .
H67C_1 H 0.171371 0.162810 0.665191 0.233 Uiso 1 1 calc R U . . .
C68_1 C 0.4432(10) 0.1207(5) 0.3655(10) 0.096(4) Uani 1 1 d . U . . .
H68_1 H 0.430778 0.148148 0.378931 0.115 Uiso 1 1 calc R U . . .
C69_1 C 0.5156(10) 0.1036(6) 0.3801(9) 0.105(4) Uani 1 1 d . U . . .
H69_1 H 0.554704 0.120463 0.397783 0.126 Uiso 1 1 calc R U . . .
C70_1 C 0.5262(11) 0.0607(6) 0.3669(10) 0.106(4) Uani 1 1 d . U . . .
H70_1 H 0.571414 0.049221 0.383897 0.128 Uiso 1 1 calc R U . . .
C71_1 C 0.4785(10) 0.0354(5) 0.3332(10) 0.098(4) Uani 1 1 d . U . . .
H71_1 H 0.490560 0.007570 0.322262 0.118 Uiso 1 1 calc R U . . .
C72_1 C 0.3183(11) -0.0041(6) 0.2464(12) 0.121(5) Uani 1 1 d . U . . .
H72_1 H 0.351169 -0.026750 0.245860 0.146 Uiso 1 1 calc R U . . .
C73_1 C 0.2439(13) -0.0063(7) 0.2171(14) 0.144(5) Uani 1 1 d . U . . .
H73_1 H 0.226947 -0.031487 0.195699 0.172 Uiso 1 1 calc R U . . .
C74_1 C 0.1974(12) 0.0260(7) 0.2189(13) 0.139(5) Uani 1 1 d . U . . .
H74_1 H 0.148667 0.021955 0.200843 0.166 Uiso 1 1 calc R U . . .
C75_1 C 0.2163(10) 0.0640(6) 0.2449(11) 0.113(5) Uani 1 1 d . U . . .
H75_1 H 0.183226 0.086498 0.243141 0.135 Uiso 1 1 calc R U . . .
C76_1 C -0.0546(9) 0.2550(5) 0.4139(10) 0.090(4) Uani 1 1 d . U . . .
H76_1 H -0.033394 0.250359 0.363623 0.108 Uiso 1 1 calc R U . . .
C77_1 C -0.1347(9) 0.2573(6) 0.4276(11) 0.108(4) Uani 1 1 d . U . . .
H77A_1 H -0.154377 0.277952 0.390320 0.130 Uiso 1 1 calc R U . . .
H77B_1 H -0.155558 0.230460 0.411814 0.130 Uiso 1 1 calc R U . . .
C78_1 C -0.1632(9) 0.2666(5) 0.5014(12) 0.104(4) Uani 1 1 d . U . . .
H78_1 H -0.214738 0.269784 0.506982 0.125 Uiso 1 1 calc R U . . .
C79_1 C -0.1197(9) 0.2713(5) 0.5662(11) 0.100(4) Uani 1 1 d . U . . .
H79_1 H -0.141046 0.277000 0.616056 0.120 Uiso 1 1 calc R U . . .
C80_1 C 0.0288(10) 0.2786(5) 0.6947(10) 0.094(4) Uani 1 1 d . U . . .
H80_1 H -0.013007 0.283191 0.726923 0.112 Uiso 1 1 calc R U . . .
C81_1 C 0.0982(10) 0.2796(5) 0.7271(10) 0.101(4) Uani 1 1 d . U . . .
H81_1 H 0.103538 0.284455 0.781960 0.121 Uiso 1 1 calc R U . . .
C82_1 C 0.1602(10) 0.2738(5) 0.6813(10) 0.100(4) Uani 1 1 d . U . . .
H82_1 H 0.206891 0.274981 0.705983 0.120 Uiso 1 1 calc R U . . .
C83_1 C 0.1570(9) 0.2660(5) 0.5995(10) 0.093(4) Uani 1 1 d . U . . .
H83_1 H 0.200610 0.262006 0.569849 0.111 Uiso 1 1 calc R U . . .
C84_1 C 0.0992(13) 0.0673(6) 0.5150(13) 0.151(6) Uani 1 1 d . U . . .
H84A_1 H 0.063092 0.057596 0.554306 0.181 Uiso 1 1 calc R U . . .
H84B_1 H 0.138880 0.046608 0.512692 0.181 Uiso 1 1 calc R U . . .
C85_1 C 0.0614(12) 0.0678(6) 0.4350(13) 0.159(8) Uani 1 1 d . U . . .
H85A_1 H 0.098033 0.071800 0.393449 0.239 Uiso 1 1 calc R U . . .
H85B_1 H 0.025700 0.090325 0.433341 0.239 Uiso 1 1 calc R U . . .
H85C_1 H 0.035995 0.041644 0.426660 0.239 Uiso 1 1 calc R U . . .
N2_1 N 0.1763(7) 0.4063(4) 0.1958(7) 0.083(3) Uani 1 1 d . U . . .
N3_1 N 0.3235(7) 0.3675(3) 0.0035(7) 0.082(3) Uani 1 1 d . U . . .
N4_1 N 0.4184(6) 0.2446(3) 0.0078(8) 0.077(3) Uani 1 1 d . U . . .
N5_1 N 0.1558(8) 0.1365(4) 0.4839(8) 0.093(3) Uani 1 1 d . U . . .
N6_1 N 0.3196(7) 0.1041(4) 0.3050(7) 0.083(3) Uani 1 1 d . U . . .
N7_1 N 0.0654(7) 0.2598(3) 0.4868(8) 0.076(3) Uani 1 1 d . U . . .
O2_1 O 0.2240(5) 0.4091(3) 0.0382(6) 0.093(3) Uani 1 1 d . U . . .
O3_1 O 0.4200(6) 0.3264(3) -0.0336(6) 0.105(4) Uani 1 1 d . U . . .
O4_1 O 0.2521(6) 0.0937(3) 0.4500(6) 0.100(3) Uani 1 1 d . U . . .
O5_1 O 0.0578(6) 0.1764(3) 0.5168(7) 0.100(3) Uani 1 1 d . U . . .
C4_2 C 0.5017(18) 0.3987(12) 0.782(2) 0.182(8) Uani 1 1 d . U . . .
H4_2 H 0.523016 0.419641 0.813883 0.219 Uiso 1 1 calc R U . . .
C5_2 C 0.4959(17) 0.3266(9) 0.7545(17) 0.216(10) Uani 1 1 d . U . . .
H5A_2 H 0.524455 0.302892 0.772400 0.259 Uiso 1 1 calc R U . . .
H5B_2 H 0.444312 0.322874 0.769076 0.259 Uiso 1 1 calc R U . . .
H5C_2 H 0.499908 0.329067 0.697081 0.259 Uiso 1 1 calc R U . . .
C6_2 C 0.5786(15) 0.3516(8) 0.8549(17) 0.192(9) Uani 1 1 d . U . . .
H6A_2 H 0.608604 0.327806 0.840187 0.288 Uiso 1 1 calc R U . . .
H6B_2 H 0.552595 0.345690 0.904170 0.288 Uiso 1 1 calc R U . . .
H6C_2 H 0.610293 0.375582 0.862208 0.288 Uiso 1 1 calc R U . . .
N2_2 N 0.5217(14) 0.3606(9) 0.7882(15) 0.172(6) Uani 1 1 d . U . . .
O2_2 O 0.4527(10) 0.4061(6) 0.7331(11) 0.186(7) Uani 1 1 d . U . . .
Co2_4 Co 0.48052(17) 0.58594(8) 0.42789(17) 0.1188(10) Uani 1 1 d . U . . .
C1_4 C 0.4554(10) 0.6437(4) 0.4696(10) 0.163(6) Uani 1 1 d G U . . .
H1_4 H 0.419645 0.650196 0.512507 0.196 Uiso 1 1 calc R U . . .
C2_4 C 0.5322(10) 0.6357(4) 0.4796(9) 0.159(6) Uani 1 1 d G U . . .
H2_4 H 0.559358 0.635453 0.530859 0.190 Uiso 1 1 calc R U . . .
C3_4 C 0.5632(7) 0.6278(4) 0.4034(12) 0.165(6) Uani 1 1 d G U . . .
H3_4 H 0.615630 0.620987 0.392184 0.198 Uiso 1 1 calc R U . . .
C4_4 C 0.5055(12) 0.6309(4) 0.3463(8) 0.167(6) Uani 1 1 d G U . . .
H4_4 H 0.510698 0.626790 0.288124 0.200 Uiso 1 1 calc R U . . .
C5_4 C 0.4389(8) 0.6407(5) 0.3871(12) 0.168(6) Uani 1 1 d G U . . .
H5_4 H 0.389571 0.644842 0.362488 0.201 Uiso 1 1 calc R U . . .
C6_4 C 0.4989(9) 0.5375(4) 0.5043(9) 0.141(5) Uani 1 1 d G U . . .
H6_4 H 0.529574 0.538367 0.553192 0.169 Uiso 1 1 calc R U . . .
C7_4 C 0.5253(7) 0.5304(4) 0.4259(11) 0.138(4) Uani 1 1 d G U . . .
H7_4 H 0.576997 0.523821 0.410772 0.165 Uiso 1 1 calc R U . . .
C8_4 C 0.4641(10) 0.5334(4) 0.3730(7) 0.142(4) Uani 1 1 d G U . . .
H8_4 H 0.465553 0.528975 0.314738 0.170 Uiso 1 1 calc R U . . .
C9_4 C 0.3999(7) 0.5423(4) 0.4189(10) 0.146(5) Uani 1 1 d G U . . .
H9_4 H 0.349264 0.546697 0.397808 0.175 Uiso 1 1 calc R U . . .
C10_4 C 0.4214(9) 0.5448(4) 0.5000(9) 0.142(5) Uani 1 1 d G U . . .
H10_4 H 0.388902 0.552508 0.545117 0.170 Uiso 1 1 calc R U . . .
Co1_5 Co 0.30542(17) 0.39881(9) 0.50275(18) 0.1322(11) Uani 1 1 d . U . . .
C1_5 C 0.3441(10) 0.4552(5) 0.5262(8) 0.152(5) Uani 1 1 d G U . . .
H1_5 H 0.372457 0.463387 0.574179 0.183 Uiso 1 1 calc R U . . .
C2_5 C 0.3748(8) 0.4423(5) 0.4524(11) 0.163(6) Uani 1 1 d G U . . .
H2_5 H 0.428141 0.438460 0.440793 0.196 Uiso 1 1 calc R U . . .
C3_5 C 0.3154(12) 0.4350(4) 0.3987(7) 0.165(6) Uani 1 1 d G U . . .
H3_5 H 0.320020 0.424259 0.343754 0.197 Uiso 1 1 calc R U . . .
C4_5 C 0.2481(9) 0.4434(5) 0.4394(10) 0.163(6) Uani 1 1 d G U . . .
H4_5 H 0.197542 0.440417 0.417078 0.195 Uiso 1 1 calc R U . . .
C5_5 C 0.2658(9) 0.4559(4) 0.5181(9) 0.150(5) Uani 1 1 d G U . . .
H5_5 H 0.229961 0.464598 0.559526 0.180 Uiso 1 1 calc R U . . .
C6_5 C 0.3381(12) 0.3627(5) 0.5953(10) 0.183(7) Uani 1 1 d G U . . .
H6_5 H 0.367934 0.371819 0.641493 0.220 Uiso 1 1 calc R U . . .
C7_5 C 0.3662(9) 0.3465(5) 0.5227(13) 0.178(7) Uani 1 1 d G U . . .
H7_5 H 0.419187 0.342570 0.509318 0.213 Uiso 1 1 calc R U . . .
C8_5 C 0.3052(13) 0.3381(4) 0.4718(9) 0.175(7) Uani 1 1 d G U . . .
H8_5 H 0.308107 0.327065 0.416950 0.210 Uiso 1 1 calc R U . . .
C9_5 C 0.2393(9) 0.3492(5) 0.5129(13) 0.174(7) Uani 1 1 d G U . . .
H9_5 H 0.188181 0.346734 0.492044 0.208 Uiso 1 1 calc R U . . .
C10_5 C 0.2596(11) 0.3643(5) 0.5892(11) 0.178(7) Uani 1 1 d G U . . .
H10_5 H 0.225159 0.374395 0.630827 0.213 Uiso 1 1 calc R U . . .


_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
C4_1 C9_1 1.371(19) . ?
C4_1 N2_1 1.386(18) . ?
C4_1 C5_1 1.40(2) . ?
C5_1 C6_1 1.430(19) . ?
C6_1 C7_1 1.35(2) . ?
C7_1 C8_1 1.39(2) . ?
C8_1 C9_1 1.38(2) . ?
C9_1 C10_1 1.46(2) . ?
C10_1 C12_1 1.40(2) . ?
C10_1 C11_1 1.43(2) . ?
C11_1 C15_1 1.35(2) . ?
C11_1 N2_1 1.417(18) . ?
C12_1 C13_1 1.48(2) . ?
C13_1 C14_1 1.35(2) . ?
C14_1 C15_1 1.52(2) . ?
C16_1 C21_1 1.384(18) . ?
C16_1 N2_1 1.442(17) . ?
C16_1 C17_1 1.455(19) . ?
C17_1 C18_1 1.420(18) . ?
C17_1 C22_1 1.45(2) . ?
C18_1 C19_1 1.443(18) . ?
C18_1 C24_1 1.470(19) . ?
C19_1 C25_1 1.406(17) . ?
C19_1 C20_1 1.470(18) . ?
C20_1 C21_1 1.424(17) . ?
C20_1 C28_1 1.431(17) . ?
C22_1 O2_1 1.225(16) . ?
C22_1 N3_1 1.452(18) . ?
C23_1 O3_1 1.291(16) . ?
C23_1 N3_1 1.364(16) . ?
C23_1 C24_1 1.423(19) . ?
C24_1 C29_1 1.419(17) . ?
C25_1 C30_1 1.446(18) . ?
C25_1 C26_1 1.453(17) . ?
C26_1 C34_1 1.414(17) . ?
C26_1 C27_1 1.424(17) . ?
C27_1 C28_1 1.406(17) . ?
C27_1 C35_1 1.436(17) . ?
C28_1 C38_1 1.459(18) . ?
C29_1 C30_1 1.358(18) . ?
C29_1 N4_1 1.459(17) . ?
C31_1 N3_1 1.429(18) . ?
C31_1 C32_1 1.44(2) . ?
C31_1 C45_1 1.64(2) . ?
C32_1 C33_1 1.50(2) . ?
C34_1 C37_1 1.354(18) . ?
C35_1 C36_1 1.416(17) . ?
C35_1 C39_1 1.491(18) . ?
C36_1 C47_1 1.436(19) . ?
C36_1 C37_1 1.446(19) . ?
C37_1 N6_1 1.440(17) . ?
C38_1 C40_1 1.314(17) . ?
C39_1 C40_1 1.397(18) . ?
C39_1 C48_1 1.436(19) . ?
C40_1 N7_1 1.504(18) . ?
C41_1 N4_1 1.366(18) . ?
C41_1 C42_1 1.38(2) . ?
C41_1 C57_1 1.41(2) . ?
C42_1 C60_1 1.39(2) . ?
C42_1 C43_1 1.44(2) . ?
C43_1 C61_1 1.37(2) . ?
C43_1 C44_1 1.40(2) . ?
C44_1 C64_1 1.32(2) . ?
C44_1 N4_1 1.421(17) . ?
C45_1 C46_1 1.54(2) . ?
C47_1 O4_1 1.213(16) . ?
C47_1 N5_1 1.468(18) . ?
C48_1 O5_1 1.231(17) . ?
C48_1 N5_1 1.404(18) . ?
C49_1 C50_1 1.377(19) . ?
C49_1 C68_1 1.39(2) . ?
C49_1 N6_1 1.433(18) . ?
C50_1 C71_1 1.46(2) . ?
C50_1 C51_1 1.49(2) . ?
C51_1 C52_1 1.35(2) . ?
C51_1 C72_1 1.42(2) . ?
C52_1 N6_1 1.386(17) . ?
C52_1 C75_1 1.41(2) . ?
C53_1 C54_1 1.36(2) . ?
C53_1 C76_1 1.40(2) . ?
C53_1 N7_1 1.416(17) . ?
C54_1 C55_1 1.40(2) . ?
C54_1 C79_1 1.48(2) . ?
C55_1 C80_1 1.40(2) . ?
C55_1 C56_1 1.48(2) . ?
C56_1 N7_1 1.328(18) . ?
C56_1 C83_1 1.42(2) . ?
C57_1 C58_1 1.43(2) . ?
C58_1 C59_1 1.43(2) . ?
C59_1 C60_1 1.38(2) . ?
C61_1 C62_1 1.36(2) . ?
C62_1 C63_1 1.43(2) . ?
C63_1 C64_1 1.42(2) . ?
C65_1 C66_1 1.40(2) . ?
C65_1 C84_1 1.45(2) . ?
C65_1 N5_1 1.499(19) . ?
C66_1 C67_1 1.43(2) . ?
C68_1 C69_1 1.44(2) . ?
C69_1 C70_1 1.41(2) . ?
C70_1 C71_1 1.31(2) . ?
C72_1 C73_1 1.43(3) . ?
C73_1 C74_1 1.34(2) . ?
C74_1 C75_1 1.34(2) . ?
C76_1 C77_1 1.465(19) . ?
C77_1 C78_1 1.38(2) . ?
C78_1 C79_1 1.35(2) . ?
C80_1 C81_1 1.37(2) . ?
C81_1 C82_1 1.37(2) . ?
C82_1 C83_1 1.40(2) . ?
C84_1 C85_1 1.51(3) . ?
C4_2 O2_2 1.24(3) . ?
C4_2 N2_2 1.28(4) . ?
C5_2 N2_2 1.32(3) . ?
C6_2 N2_2 1.55(3) . ?
Co2_4 C8_4 1.951(13) . ?
Co2_4 C7_4 1.964(13) . ?
Co2_4 C9_4 2.030(13) . ?
Co2_4 C5_4 2.038(14) . ?
Co2_4 C1_4 2.040(14) . ?
Co2_4 C4_4 2.045(13) . ?
Co2_4 C2_4 2.049(14) . ?
Co2_4 C6_4 2.050(12) . ?
Co2_4 C3_4 2.052(13) . ?
Co2_4 C10_4 2.089(12) . ?
C1_4 C2_4 1.4200 . ?
C1_4 C5_4 1.4200 . ?
C2_4 C3_4 1.4200 . ?
C3_4 C4_4 1.4200 . ?
C4_4 C5_4 1.4200 . ?
C6_4 C10_4 1.4200 . ?
C6_4 C7_4 1.4200 . ?
C7_4 C8_4 1.4200 . ?
C8_4 C9_4 1.4200 . ?
C9_4 C10_4 1.4200 . ?
Co1_5 C1_5 1.986(14) . ?
Co1_5 C5_5 1.991(14) . ?
Co1_5 C9_5 2.003(15) . ?
Co1_5 C10_5 2.008(16) . ?
Co1_5 C8_5 2.023(14) . ?
Co1_5 C6_5 2.030(15) . ?
Co1_5 C7_5 2.039(15) . ?
Co1_5 C2_5 2.060(14) . ?
Co1_5 C4_5 2.067(14) . ?
Co1_5 C3_5 2.108(13) . ?
C1_5 C2_5 1.4200 . ?
C1_5 C5_5 1.4200 . ?
C2_5 C3_5 1.4200 . ?
C3_5 C4_5 1.4200 . ?
C4_5 C5_5 1.4200 . ?
C6_5 C7_5 1.4200 . ?
C6_5 C10_5 1.4200 . ?
C7_5 C8_5 1.4200 . ?
C8_5 C9_5 1.4200 . ?
C9_5 C10_5 1.4200 . ?

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
C9_1 C4_1 N2_1 112.7(17) . . ?
C9_1 C4_1 C5_1 121.7(17) . . ?
N2_1 C4_1 C5_1 125.6(15) . . ?
C4_1 C5_1 C6_1 115.1(16) . . ?
C7_1 C6_1 C5_1 121.6(19) . . ?
C6_1 C7_1 C8_1 123(2) . . ?
C9_1 C8_1 C7_1 115.8(19) . . ?
C4_1 C9_1 C8_1 123(2) . . ?
C4_1 C9_1 C10_1 104.5(16) . . ?
C8_1 C9_1 C10_1 132.5(18) . . ?
C12_1 C10_1 C11_1 118.1(18) . . ?
C12_1 C10_1 C9_1 133.0(16) . . ?
C11_1 C10_1 C9_1 108.9(16) . . ?
C15_1 C11_1 N2_1 129.2(16) . . ?
C15_1 C11_1 C10_1 124.6(17) . . ?
N2_1 C11_1 C10_1 106.3(16) . . ?
C10_1 C12_1 C13_1 119.0(16) . . ?
C14_1 C13_1 C12_1 121.5(17) . . ?
C13_1 C14_1 C15_1 118.5(17) . . ?
C11_1 C15_1 C14_1 118.1(16) . . ?
C21_1 C16_1 N2_1 117.5(14) . . ?
C21_1 C16_1 C17_1 121.2(13) . . ?
N2_1 C16_1 C17_1 121.2(14) . . ?
C18_1 C17_1 C22_1 120.9(14) . . ?
C18_1 C17_1 C16_1 117.4(13) . . ?
C22_1 C17_1 C16_1 120.6(14) . . ?
C17_1 C18_1 C19_1 122.1(14) . . ?
C17_1 C18_1 C24_1 119.3(13) . . ?
C19_1 C18_1 C24_1 118.5(13) . . ?
C25_1 C19_1 C18_1 121.1(13) . . ?
C25_1 C19_1 C20_1 120.0(13) . . ?
C18_1 C19_1 C20_1 118.8(12) . . ?
C21_1 C20_1 C28_1 123.8(13) . . ?
C21_1 C20_1 C19_1 117.5(13) . . ?
C28_1 C20_1 C19_1 118.6(12) . . ?
C16_1 C21_1 C20_1 122.7(14) . . ?
O2_1 C22_1 C17_1 126.7(16) . . ?
O2_1 C22_1 N3_1 119.4(14) . . ?
C17_1 C22_1 N3_1 113.8(15) . . ?
O3_1 C23_1 N3_1 118.0(15) . . ?
O3_1 C23_1 C24_1 120.2(14) . . ?
N3_1 C23_1 C24_1 121.8(15) . . ?
C29_1 C24_1 C23_1 125.7(15) . . ?
C29_1 C24_1 C18_1 117.4(14) . . ?
C23_1 C24_1 C18_1 116.7(13) . . ?
C19_1 C25_1 C30_1 118.6(13) . . ?
C19_1 C25_1 C26_1 120.2(13) . . ?
C30_1 C25_1 C26_1 121.1(13) . . ?
C34_1 C26_1 C27_1 118.9(13) . . ?
C34_1 C26_1 C25_1 121.8(13) . . ?
C27_1 C26_1 C25_1 119.3(12) . . ?
C28_1 C27_1 C26_1 120.8(13) . . ?
C28_1 C27_1 C35_1 121.8(13) . . ?
C26_1 C27_1 C35_1 117.2(12) . . ?
C27_1 C28_1 C20_1 120.9(13) . . ?
C27_1 C28_1 C38_1 116.8(13) . . ?
C20_1 C28_1 C38_1 122.3(13) . . ?
C30_1 C29_1 C24_1 123.2(14) . . ?
C30_1 C29_1 N4_1 116.6(13) . . ?
C24_1 C29_1 N4_1 120.1(14) . . ?
C29_1 C30_1 C25_1 120.8(13) . . ?
N3_1 C31_1 C32_1 119.9(16) . . ?
N3_1 C31_1 C45_1 110.4(14) . . ?
C32_1 C31_1 C45_1 113.1(16) . . ?
C31_1 C32_1 C33_1 115.8(18) . . ?
C37_1 C34_1 C26_1 122.8(14) . . ?
C36_1 C35_1 C27_1 124.0(13) . . ?
C36_1 C35_1 C39_1 117.3(13) . . ?
C27_1 C35_1 C39_1 118.7(13) . . ?
C35_1 C36_1 C47_1 124.1(14) . . ?
C35_1 C36_1 C37_1 115.3(13) . . ?
C47_1 C36_1 C37_1 120.4(14) . . ?
C34_1 C37_1 N6_1 118.0(14) . . ?
C34_1 C37_1 C36_1 121.6(14) . . ?
N6_1 C37_1 C36_1 120.4(13) . . ?
C40_1 C38_1 C28_1 121.0(14) . . ?
C40_1 C39_1 C48_1 125.6(14) . . ?
C40_1 C39_1 C35_1 115.0(13) . . ?
C48_1 C39_1 C35_1 119.2(14) . . ?
C38_1 C40_1 C39_1 126.4(15) . . ?
C38_1 C40_1 N7_1 116.3(14) . . ?
C39_1 C40_1 N7_1 117.0(13) . . ?
N4_1 C41_1 C42_1 110.7(15) . . ?
N4_1 C41_1 C57_1 126.9(16) . . ?
C42_1 C41_1 C57_1 122.4(17) . . ?
C41_1 C42_1 C60_1 118.1(17) . . ?
C41_1 C42_1 C43_1 107.7(16) . . ?
C60_1 C42_1 C43_1 134.2(16) . . ?
C61_1 C43_1 C44_1 120.4(17) . . ?
C61_1 C43_1 C42_1 134.3(16) . . ?
C44_1 C43_1 C42_1 105.3(16) . . ?
C64_1 C44_1 C43_1 124.2(16) . . ?
C64_1 C44_1 N4_1 125.8(15) . . ?
C43_1 C44_1 N4_1 109.9(15) . . ?
C46_1 C45_1 C31_1 115.9(16) . . ?
O4_1 C47_1 C36_1 129.1(16) . . ?
O4_1 C47_1 N5_1 117.1(15) . . ?
C36_1 C47_1 N5_1 113.7(15) . . ?
O5_1 C48_1 N5_1 117.4(16) . . ?
O5_1 C48_1 C39_1 124.7(15) . . ?
N5_1 C48_1 C39_1 117.8(15) . . ?
C50_1 C49_1 C68_1 125.8(17) . . ?
C50_1 C49_1 N6_1 108.5(15) . . ?
C68_1 C49_1 N6_1 125.8(15) . . ?
C49_1 C50_1 C71_1 117.8(17) . . ?
C49_1 C50_1 C51_1 107.5(16) . . ?
C71_1 C50_1 C51_1 134.7(16) . . ?
C52_1 C51_1 C72_1 122.2(19) . . ?
C52_1 C51_1 C50_1 105.2(16) . . ?
C72_1 C51_1 C50_1 132.6(17) . . ?
C51_1 C52_1 N6_1 112.5(17) . . ?
C51_1 C52_1 C75_1 122.3(18) . . ?
N6_1 C52_1 C75_1 125.2(17) . . ?
C54_1 C53_1 C76_1 128.0(16) . . ?
C54_1 C53_1 N7_1 107.3(15) . . ?
C76_1 C53_1 N7_1 124.8(15) . . ?
C53_1 C54_1 C55_1 111.6(16) . . ?
C53_1 C54_1 C79_1 115.2(16) . . ?
C55_1 C54_1 C79_1 133.2(16) . . ?
C80_1 C55_1 C54_1 137.3(17) . . ?
C80_1 C55_1 C56_1 120.2(17) . . ?
C54_1 C55_1 C56_1 102.5(15) . . ?
N7_1 C56_1 C83_1 132.8(16) . . ?
N7_1 C56_1 C55_1 109.8(15) . . ?
C83_1 C56_1 C55_1 117.3(15) . . ?
C41_1 C57_1 C58_1 117.3(17) . . ?
C57_1 C58_1 C59_1 121.2(17) . . ?
C60_1 C59_1 C58_1 116.8(18) . . ?
C59_1 C60_1 C42_1 124.1(17) . . ?
C62_1 C61_1 C43_1 117.8(18) . . ?
C61_1 C62_1 C63_1 121.8(19) . . ?
C64_1 C63_1 C62_1 118.5(17) . . ?
C44_1 C64_1 C63_1 117.1(17) . . ?
C66_1 C65_1 C84_1 124(2) . . ?
C66_1 C65_1 N5_1 110.2(16) . . ?
C84_1 C65_1 N5_1 116.6(16) . . ?
C65_1 C66_1 C67_1 130(2) . . ?
C49_1 C68_1 C69_1 115.1(16) . . ?
C70_1 C69_1 C68_1 118.2(18) . . ?
C71_1 C70_1 C69_1 125.9(19) . . ?
C70_1 C71_1 C50_1 116.8(17) . . ?
C51_1 C72_1 C73_1 113.0(18) . . ?
C74_1 C73_1 C72_1 123(2) . . ?
C73_1 C74_1 C75_1 124(2) . . ?
C74_1 C75_1 C52_1 115.8(19) . . ?
C53_1 C76_1 C77_1 113.2(16) . . ?
C78_1 C77_1 C76_1 121.4(17) . . ?
C79_1 C78_1 C77_1 122.2(17) . . ?
C78_1 C79_1 C54_1 119.9(16) . . ?
C81_1 C80_1 C55_1 119.6(17) . . ?
C80_1 C81_1 C82_1 121.4(17) . . ?
C81_1 C82_1 C83_1 122.9(17) . . ?
C82_1 C83_1 C56_1 118.5(16) . . ?
C65_1 C84_1 C85_1 118.7(18) . . ?
C4_1 N2_1 C11_1 107.6(14) . . ?
C4_1 N2_1 C16_1 127.1(13) . . ?
C11_1 N2_1 C16_1 125.1(13) . . ?
C23_1 N3_1 C31_1 120.3(14) . . ?
C23_1 N3_1 C22_1 123.4(14) . . ?
C31_1 N3_1 C22_1 116.3(13) . . ?
C41_1 N4_1 C44_1 106.3(13) . . ?
C41_1 N4_1 C29_1 126.4(13) . . ?
C44_1 N4_1 C29_1 126.5(13) . . ?
C48_1 N5_1 C47_1 124.5(14) . . ?
C48_1 N5_1 C65_1 117.8(15) . . ?
C47_1 N5_1 C65_1 117.7(14) . . ?
C52_1 N6_1 C49_1 106.3(14) . . ?
C52_1 N6_1 C37_1 127.6(14) . . ?
C49_1 N6_1 C37_1 126.1(13) . . ?
C56_1 N7_1 C53_1 108.8(14) . . ?
C56_1 N7_1 C40_1 122.5(13) . . ?
C53_1 N7_1 C40_1 127.2(13) . . ?
O2_2 C4_2 N2_2 116(4) . . ?
C4_2 N2_2 C5_2 132(4) . . ?
C4_2 N2_2 C6_2 115(3) . . ?
C5_2 N2_2 C6_2 113(3) . . ?
C8_4 Co2_4 C7_4 42.5(3) . . ?
C8_4 Co2_4 C9_4 41.7(2) . . ?
C7_4 Co2_4 C9_4 70.2(3) . . ?
C8_4 Co2_4 C5_4 122.5(7) . . ?
C7_4 Co2_4 C5_4 159.3(8) . . ?
C9_4 Co2_4 C5_4 108.2(6) . . ?
C8_4 Co2_4 C1_4 157.0(8) . . ?
C7_4 Co2_4 C1_4 158.3(8) . . ?
C9_4 Co2_4 C1_4 120.0(7) . . ?
C5_4 Co2_4 C1_4 40.8(3) . . ?
C8_4 Co2_4 C4_4 109.4(6) . . ?
C7_4 Co2_4 C4_4 122.9(7) . . ?
C9_4 Co2_4 C4_4 126.8(7) . . ?
C5_4 Co2_4 C4_4 40.7(2) . . ?
C1_4 Co2_4 C4_4 68.4(3) . . ?
C8_4 Co2_4 C2_4 161.7(8) . . ?
C7_4 Co2_4 C2_4 122.2(7) . . ?
C9_4 Co2_4 C2_4 154.3(7) . . ?
C5_4 Co2_4 C2_4 68.4(3) . . ?
C1_4 Co2_4 C2_4 40.6(2) . . ?
C4_4 Co2_4 C2_4 68.3(3) . . ?
C8_4 Co2_4 C6_4 70.0(3) . . ?
C7_4 Co2_4 C6_4 41.4(2) . . ?
C9_4 Co2_4 C6_4 68.5(3) . . ?
C5_4 Co2_4 C6_4 158.6(8) . . ?
C1_4 Co2_4 C6_4 121.1(7) . . ?
C4_4 Co2_4 C6_4 157.6(8) . . ?
C2_4 Co2_4 C6_4 104.9(5) . . ?
C8_4 Co2_4 C3_4 125.9(7) . . ?
C7_4 Co2_4 C3_4 107.3(6) . . ?
C9_4 Co2_4 C3_4 164.1(8) . . ?
C5_4 Co2_4 C3_4 68.4(3) . . ?
C1_4 Co2_4 C3_4 68.3(3) . . ?
C4_4 Co2_4 C3_4 40.6(2) . . ?
C2_4 Co2_4 C3_4 40.5(2) . . ?
C6_4 Co2_4 C3_4 120.6(7) . . ?
C8_4 Co2_4 C10_4 69.2(3) . . ?
C7_4 Co2_4 C10_4 69.0(3) . . ?
C9_4 Co2_4 C10_4 40.3(2) . . ?
C5_4 Co2_4 C10_4 123.8(7) . . ?
C1_4 Co2_4 C10_4 105.5(5) . . ?
C4_4 Co2_4 C10_4 162.0(8) . . ?
C2_4 Co2_4 C10_4 118.9(6) . . ?
C6_4 Co2_4 C10_4 40.1(2) . . ?
C3_4 Co2_4 C10_4 154.7(8) . . ?
C2_4 C1_4 C5_4 108.0 . . ?
C2_4 C1_4 Co2_4 70.0(6) . . ?
C5_4 C1_4 Co2_4 69.5(5) . . ?
C1_4 C2_4 C3_4 108.0 . . ?
C1_4 C2_4 Co2_4 69.3(6) . . ?
C3_4 C2_4 Co2_4 69.9(5) . . ?
C4_4 C3_4 C2_4 108.0 . . ?
C4_4 C3_4 Co2_4 69.5(5) . . ?
C2_4 C3_4 Co2_4 69.6(5) . . ?
C3_4 C4_4 C5_4 108.0 . . ?
C3_4 C4_4 Co2_4 70.0(6) . . ?
C5_4 C4_4 Co2_4 69.4(5) . . ?
C4_4 C5_4 C1_4 108.0 . . ?
C4_4 C5_4 Co2_4 69.9(5) . . ?
C1_4 C5_4 Co2_4 69.7(5) . . ?
C10_4 C6_4 C7_4 108.0 . . ?
C10_4 C6_4 Co2_4 71.4(5) . . ?
C7_4 C6_4 Co2_4 66.1(5) . . ?
C8_4 C7_4 C6_4 108.0 . . ?
C8_4 C7_4 Co2_4 68.3(5) . . ?
C6_4 C7_4 Co2_4 72.6(5) . . ?
C7_4 C8_4 C9_4 108.0 . . ?
C7_4 C8_4 Co2_4 69.2(5) . . ?
C9_4 C8_4 Co2_4 72.1(5) . . ?
C10_4 C9_4 C8_4 108.0 . . ?
C10_4 C9_4 Co2_4 72.1(5) . . ?
C8_4 C9_4 Co2_4 66.2(5) . . ?
C6_4 C10_4 C9_4 108.0 . . ?
C6_4 C10_4 Co2_4 68.4(5) . . ?
C9_4 C10_4 Co2_4 67.6(5) . . ?
C1_5 Co1_5 C5_5 41.8(3) . . ?
C1_5 Co1_5 C9_5 157.4(9) . . ?
C5_5 Co1_5 C9_5 120.9(7) . . ?
C1_5 Co1_5 C10_5 120.5(7) . . ?
C5_5 Co1_5 C10_5 105.7(6) . . ?
C9_5 Co1_5 C10_5 41.5(3) . . ?
C1_5 Co1_5 C8_5 159.4(9) . . ?
C5_5 Co1_5 C8_5 157.8(8) . . ?
C9_5 Co1_5 C8_5 41.3(3) . . ?
C10_5 Co1_5 C8_5 69.5(3) . . ?
C1_5 Co1_5 C6_5 105.7(6) . . ?
C5_5 Co1_5 C6_5 122.3(7) . . ?
C9_5 Co1_5 C6_5 69.5(3) . . ?
C10_5 Co1_5 C6_5 41.2(3) . . ?
C8_5 Co1_5 C6_5 69.1(3) . . ?
C1_5 Co1_5 C7_5 122.3(7) . . ?
C5_5 Co1_5 C7_5 159.4(8) . . ?
C9_5 Co1_5 C7_5 69.3(3) . . ?
C10_5 Co1_5 C7_5 69.2(3) . . ?
C8_5 Co1_5 C7_5 40.9(3) . . ?
C6_5 Co1_5 C7_5 40.8(3) . . ?
C1_5 Co1_5 C2_5 41.0(3) . . ?
C5_5 Co1_5 C2_5 69.1(3) . . ?
C9_5 Co1_5 C2_5 160.1(8) . . ?
C10_5 Co1_5 C2_5 157.5(8) . . ?
C8_5 Co1_5 C2_5 123.6(7) . . ?
C6_5 Co1_5 C2_5 121.9(7) . . ?
C7_5 Co1_5 C2_5 107.6(6) . . ?
C1_5 Co1_5 C4_5 69.0(3) . . ?
C5_5 Co1_5 C4_5 40.9(3) . . ?
C9_5 Co1_5 C4_5 107.5(6) . . ?
C10_5 Co1_5 C4_5 123.5(8) . . ?
C8_5 Co1_5 C4_5 122.6(7) . . ?
C6_5 Co1_5 C4_5 159.9(9) . . ?
C7_5 Co1_5 C4_5 158.3(8) . . ?
C2_5 Co1_5 C4_5 67.7(3) . . ?
C1_5 Co1_5 C3_5 68.2(3) . . ?
C5_5 Co1_5 C3_5 68.1(3) . . ?
C9_5 Co1_5 C3_5 124.3(7) . . ?
C10_5 Co1_5 C3_5 160.3(9) . . ?
C8_5 Co1_5 C3_5 108.8(6) . . ?
C6_5 Co1_5 C3_5 158.0(9) . . ?
C7_5 Co1_5 C3_5 123.2(7) . . ?
C2_5 Co1_5 C3_5 39.8(2) . . ?
C4_5 Co1_5 C3_5 39.7(2) . . ?
C2_5 C1_5 C5_5 108.0 . . ?
C2_5 C1_5 Co1_5 72.3(6) . . ?
C5_5 C1_5 Co1_5 69.3(6) . . ?
C1_5 C2_5 C3_5 108.0 . . ?
C1_5 C2_5 Co1_5 66.7(5) . . ?
C3_5 C2_5 Co1_5 71.9(5) . . ?
C4_5 C3_5 C2_5 108.0 . . ?
C4_5 C3_5 Co1_5 68.6(6) . . ?
C2_5 C3_5 Co1_5 68.2(6) . . ?
C5_5 C4_5 C3_5 108.0 . . ?
C5_5 C4_5 Co1_5 66.7(5) . . ?
C3_5 C4_5 Co1_5 71.7(6) . . ?
C4_5 C5_5 C1_5 108.0 . . ?
C4_5 C5_5 Co1_5 72.4(6) . . ?
C1_5 C5_5 Co1_5 68.9(6) . . ?
C7_5 C6_5 C10_5 108.0 . . ?
C7_5 C6_5 Co1_5 69.9(6) . . ?
C10_5 C6_5 Co1_5 68.6(6) . . ?
C6_5 C7_5 C8_5 108.0 . . ?
C6_5 C7_5 Co1_5 69.2(6) . . ?
C8_5 C7_5 Co1_5 68.9(6) . . ?
C9_5 C8_5 C7_5 108.0 . . ?
C9_5 C8_5 Co1_5 68.6(6) . . ?
C7_5 C8_5 Co1_5 70.2(6) . . ?
C8_5 C9_5 C10_5 108.0 . . ?
C8_5 C9_5 Co1_5 70.1(6) . . ?
C10_5 C9_5 Co1_5 69.4(6) . . ?
C9_5 C10_5 C6_5 108.0 . . ?
C9_5 C10_5 Co1_5 69.1(6) . . ?
C6_5 C10_5 Co1_5 70.3(6) . . ?

_refine_diff_density_max         0.220
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.056


# start Validation Reply Form
_vrf_PLAT026_znz6944_0m_sq       
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PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        29% Check 
RESPONSE: crystal diffracted too weakly
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# end Validation Reply Form
