# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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. 
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data_3
_database_code_depnum_ccdc_archive 'CCDC 2035606'
loop_
_audit_author_name
_audit_author_address
'Xue Min'
;Wuhan Textile University
China
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;
_audit_creation_date             2020-10-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H40 Co2 N4 O14 P4 Si, O'
_chemical_formula_sum            'C44 H42 Co2 N4 O15 P4 Si'
_chemical_formula_weight         1136.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.8502(5)
_cell_length_b                   25.0643(10)
_cell_length_c                   15.0803(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.7220(10)
_cell_angle_gamma                90
_cell_volume                     4772.3(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5508
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      26.047
_cell_measurement_theta_min      1.597
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.928
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            29904
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.047
_diffrn_reflns_theta_min         1.597
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7155
_reflns_number_total             9409
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.360
_refine_diff_density_min         -0.414
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         9409
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0656P)²+3.1096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1294
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2. Restrained distances
 O13-H13A = O13-H13B
 0.85 with sigma of 0.02
 H13A-H13B
 1.513 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O1W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C31(H31), C11(H11A), C2(H2), C12(H12), C20(H20), C14(H14), C17(H17), C22(H22),
  C23(H23), C3(H3A), C6(H6A), C9(H9A), C18(H18), C8(H8), C19(H19), C5(H5),
 C15(H15), C27(H27), C32(H32), C25(H25), C28(H28), C34(H34), C26(H26), C33(H33),
  C42(H42), C44(H44), C38(H38), C37(H37), C36(H36), C43(H43), C41(H41), C35(H35)
4.b Idealised tetrahedral OH refined as rotating group:
 O11(H11), O6(H6), O3(H3), O9(H9)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Co1 Co 0.15826(3) 0.66262(2) -0.32363(3) 0.02742(13) Uani 1 1 d . . . . .
Co2 Co 0.49254(4) 0.61177(2) 0.48705(3) 0.02950(13) Uani 1 1 d . . . . .
Si1 Si 0.30961(7) 0.42799(3) -0.03307(5) 0.02239(19) Uani 1 1 d . . . . .
P1 P 0.73478(7) 0.29545(4) 0.11201(6) 0.0340(2) Uani 1 1 d . . . . .
P2 P 0.29686(8) 0.55935(4) 0.33605(6) 0.0342(2) Uani 1 1 d . . . . .
P4 P -0.12244(7) 0.29196(4) -0.16289(6) 0.0345(2) Uani 1 1 d . . . . .
P3 P 0.31558(7) 0.57383(3) -0.38801(5) 0.02440(19) Uani 1 1 d . . . . .
N2 N 0.6297(3) 0.63651(13) 0.5801(3) 0.0502(9) Uani 1 1 d . . . . .
N1 N 0.5801(3) 0.65948(13) 0.4073(3) 0.0558(10) Uani 1 1 d . . . . .
N4 N 0.0609(2) 0.63937(12) -0.44752(19) 0.0350(7) Uani 1 1 d . . . . .
N3 N 0.0704(2) 0.59971(12) -0.2859(2) 0.0356(7) Uani 1 1 d . . . . .
O13 O 0.4102(2) 0.68021(11) 0.5180(2) 0.0481(7) Uani 1 1 d D . . . .
O2 O 0.8189(2) 0.30429(15) 0.0562(2) 0.0708(10) Uani 1 1 d . . . . .
O14 O 0.5824(2) 0.54125(11) 0.4776(2) 0.0396(6) Uani 1 1 d . . . . .
O11 O -0.2070(2) 0.30968(15) -0.1093(2) 0.0655(9) Uani 1 1 d . . . . .
H11 H -0.199312 0.293121 -0.061663 0.098 Uiso 1 1 calc R U . . .
O12 O -0.0942(2) 0.23448(10) -0.1536(2) 0.0576(8) Uani 1 1 d . . . . .
O1W O 0.0281(5) 0.2838(3) 0.1415(5) 0.188(3) Uani 1 1 d . U . . .
O4 O 0.2785(2) 0.51376(10) 0.39647(16) 0.0399(6) Uani 1 1 d . . . . .
O6 O 0.1907(2) 0.59142(10) 0.31792(19) 0.0449(6) Uani 1 1 d . . . . .
H6 H 0.201751 0.621668 0.301162 0.067 Uiso 1 1 calc R U . . .
O3 O 0.7106(3) 0.23523(10) 0.1199(2) 0.0617(9) Uani 1 1 d . . . . .
H3 H 0.744157 0.223618 0.167641 0.092 Uiso 1 1 calc R U . . .
O10 O -0.1610(2) 0.31082(10) -0.25809(17) 0.0464(7) Uani 1 1 d . . . . .
O5 O 0.3911(2) 0.59315(10) 0.37000(16) 0.0442(6) Uani 1 1 d . . . . .
O9 O 0.22633(18) 0.54747(10) -0.45814(15) 0.0337(5) Uani 1 1 d . . . . .
H9 H 0.250618 0.537590 -0.501973 0.051 Uiso 1 1 calc R U . . .
O1 O 0.7606(2) 0.31988(10) 0.20275(17) 0.0475(7) Uani 1 1 d . . . . .
O8 O 0.28456(18) 0.62985(9) -0.36699(15) 0.0302(5) Uani 1 1 d . . . . .
O7 O 0.42113(17) 0.57024(9) -0.41785(14) 0.0293(5) Uani 1 1 d . . . . .
C31 C 0.7986(4) 0.6775(2) 0.6019(6) 0.095(2) Uani 1 1 d . . . . .
H31 H 0.849071 0.697131 0.579008 0.114 Uiso 1 1 calc R U . . .
C11 C 0.2340(3) 0.53946(15) 0.1510(2) 0.0394(9) Uani 1 1 d . . . . .
H11A H 0.181731 0.565086 0.151458 0.047 Uiso 1 1 calc R U . . .
C2 C 0.4274(3) 0.34167(14) 0.0560(3) 0.0406(9) Uani 1 1 d . . . . .
H2 H 0.366073 0.333877 0.077923 0.049 Uiso 1 1 calc R U . . .
C12 C 0.2360(3) 0.51062(14) 0.0731(2) 0.0365(8) Uani 1 1 d . . . . .
H12 H 0.184970 0.517677 0.022068 0.044 Uiso 1 1 calc R U . . .
C20 C -0.0008(3) 0.37008(15) -0.0573(3) 0.0419(9) Uani 1 1 d . . . . .
H20 H -0.061631 0.378973 -0.035520 0.050 Uiso 1 1 calc R U . . .
C14 C 0.3333(3) 0.52458(13) -0.1281(2) 0.0299(7) Uani 1 1 d . . . . .
H14 H 0.343519 0.540647 -0.071509 0.036 Uiso 1 1 calc R U . . .
C17 C 0.3057(3) 0.47816(14) -0.2959(2) 0.0351(8) Uani 1 1 d . . . . .
H17 H 0.297418 0.461968 -0.352311 0.042 Uiso 1 1 calc R U . . .
C22 C 0.0906(3) 0.31518(14) -0.1461(3) 0.0386(9) Uani 1 1 d . . . . .
H22 H 0.091595 0.286574 -0.185234 0.046 Uiso 1 1 calc R U . . .
C23 C 0.1817(3) 0.34384(14) -0.1168(3) 0.0390(9) Uani 1 1 d . . . . .
H23 H 0.243313 0.333957 -0.136597 0.047 Uiso 1 1 calc R U . . .
C3 C 0.5193(3) 0.31338(15) 0.0886(3) 0.0423(9) Uani 1 1 d . . . . .
H3A H 0.519216 0.287466 0.132785 0.051 Uiso 1 1 calc R U . . .
C6 C 0.5155(3) 0.38916(13) -0.0440(2) 0.0320(8) Uani 1 1 d . . . . .
H6A H 0.515030 0.414009 -0.089892 0.038 Uiso 1 1 calc R U . . .
C9 C 0.3890(3) 0.49532(16) 0.2226(2) 0.0415(9) Uani 1 1 d . . . . .
H9A H 0.443586 0.490949 0.271992 0.050 Uiso 1 1 calc R U . . .
C18 C 0.3046(3) 0.44746(13) -0.2201(2) 0.0342(8) Uani 1 1 d . . . . .
H18 H 0.295044 0.410786 -0.226509 0.041 Uiso 1 1 calc R U . . .
C8 C 0.3901(3) 0.46615(15) 0.1448(2) 0.0381(9) Uani 1 1 d . . . . .
H8 H 0.445008 0.442165 0.143529 0.046 Uiso 1 1 calc R U . . .
C19 C 0.0922(3) 0.39879(15) -0.0286(3) 0.0392(9) Uani 1 1 d . . . . .
H19 H 0.091756 0.426714 0.011961 0.047 Uiso 1 1 calc R U . . .
C24 C 0.1852(2) 0.38715(12) -0.0584(2) 0.0255(7) Uani 1 1 d . . . . .
C1 C 0.4247(2) 0.38165(12) -0.0091(2) 0.0263(7) Uani 1 1 d . . . . .
C10 C 0.3086(3) 0.53059(14) 0.2280(2) 0.0314(8) Uani 1 1 d . . . . .
C5 C 0.6080(3) 0.36052(14) -0.0125(2) 0.0343(8) Uani 1 1 d . . . . .
H5 H 0.667897 0.366369 -0.037512 0.041 Uiso 1 1 calc R U . . .
C13 C 0.3172(2) 0.46971(12) -0.1346(2) 0.0242(7) Uani 1 1 d . . . . .
C7 C 0.3110(2) 0.47172(12) 0.0681(2) 0.0251(7) Uani 1 1 d . . . . .
C15 C 0.3345(3) 0.55600(13) -0.2037(2) 0.0301(7) Uani 1 1 d . . . . .
H15 H 0.345596 0.592569 -0.197308 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3192(2) 0.53309(12) -0.2886(2) 0.0243(7) Uani 1 1 d . . . . .
C4 C 0.6112(3) 0.32351(13) 0.0558(2) 0.0298(7) Uani 1 1 d . . . . .
C21 C -0.0034(3) 0.32866(13) -0.1176(2) 0.0305(7) Uani 1 1 d . . . . .
C27 C 0.6996(8) 0.7230(3) 0.3168(7) 0.120(3) Uani 1 1 d . . . . .
H27 H 0.740183 0.744664 0.286485 0.144 Uiso 1 1 calc R U . . .
C32 C 0.8181(5) 0.6611(3) 0.6912(7) 0.116(3) Uani 1 1 d . . . . .
H32 H 0.882597 0.668838 0.728302 0.139 Uiso 1 1 calc R U . . .
C29 C 0.6727(4) 0.67854(17) 0.4510(4) 0.0654(15) Uani 1 1 d . . . . .
C25 C 0.5465(5) 0.67152(19) 0.3206(4) 0.0756(16) Uani 1 1 d . . . . .
H25 H 0.481644 0.658303 0.291002 0.091 Uiso 1 1 calc R U . . .
C28 C 0.7339(5) 0.7112(2) 0.4045(6) 0.103(3) Uani 1 1 d . . . . .
H28 H 0.798336 0.724601 0.434548 0.124 Uiso 1 1 calc R U . . .
C34 C 0.6507(4) 0.6221(2) 0.6666(4) 0.0699(14) Uani 1 1 d . . . . .
H34 H 0.599625 0.602960 0.689502 0.084 Uiso 1 1 calc R U . . .
C30 C 0.7026(3) 0.66424(17) 0.5465(4) 0.0612(14) Uani 1 1 d . . . . .
C26 C 0.6062(7) 0.7034(2) 0.2730(5) 0.106(3) Uani 1 1 d . . . . .
H26 H 0.582108 0.711041 0.212313 0.127 Uiso 1 1 calc R U . . .
C33 C 0.7439(5) 0.6341(3) 0.7237(5) 0.099(2) Uani 1 1 d . . . . .
H33 H 0.755215 0.623535 0.783874 0.119 Uiso 1 1 calc R U . . .
C42 C -0.0661(4) 0.6014(2) -0.6006(3) 0.0672(14) Uani 1 1 d . . . . .
H42 H -0.109095 0.588643 -0.652740 0.081 Uiso 1 1 calc R U . . .
C44 C 0.0571(3) 0.66399(17) -0.5259(3) 0.0472(10) Uani 1 1 d . . . . .
H44 H 0.098053 0.694404 -0.527840 0.057 Uiso 1 1 calc R U . . .
C38 C -0.0334(4) 0.52305(18) -0.3375(3) 0.0602(12) Uani 1 1 d . . . . .
H38 H -0.073062 0.503683 -0.384537 0.072 Uiso 1 1 calc R U . . .
C37 C -0.0190(4) 0.5042(2) -0.2506(4) 0.0741(15) Uani 1 1 d . . . . .
H37 H -0.047382 0.471382 -0.238764 0.089 Uiso 1 1 calc R U . . .
C36 C 0.0372(4) 0.5337(2) -0.1814(3) 0.0653(13) Uani 1 1 d . . . . .
H36 H 0.045496 0.521902 -0.121991 0.078 Uiso 1 1 calc R U . . .
C43 C -0.0056(4) 0.6461(2) -0.6048(3) 0.0586(12) Uani 1 1 d . . . . .
H43 H -0.006755 0.663796 -0.659141 0.070 Uiso 1 1 calc R U . . .
C41 C -0.0639(3) 0.57563(19) -0.5208(3) 0.0554(11) Uani 1 1 d . . . . .
H41 H -0.105041 0.545422 -0.517587 0.066 Uiso 1 1 calc R U . . .
C35 C 0.0809(3) 0.58084(17) -0.2016(3) 0.0484(10) Uani 1 1 d . . . . .
H35 H 0.119593 0.600723 -0.154727 0.058 Uiso 1 1 calc R U . . .
C39 C 0.0118(3) 0.57127(15) -0.3542(3) 0.0386(9) Uani 1 1 d . . . . .
C40 C 0.0022(3) 0.59586(15) -0.4436(3) 0.0384(9) Uani 1 1 d . . . . .
H14A H 0.621(4) 0.5350(17) 0.527(3) 0.051(14) Uiso 1 1 d . . . . .
H14B H 0.553(5) 0.513(2) 0.459(4) 0.09(2) Uiso 1 1 d . . . . .
H13A H 0.381(4) 0.6937(19) 0.469(2) 0.075(17) Uiso 1 1 d D . . . .
H13B H 0.400(11) 0.692(5) 0.570(2) 0.41(9) Uiso 1 1 d D . . . .


_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
Co1 N4 2.127(3) . ?
Co1 N3 2.079(3) . ?
Co1 O12 1.984(3) 2_554 ?
Co1 O1 1.974(2) 3_665 ?
Co1 O8 2.032(2) . ?
Co2 N2 2.131(3) . ?
Co2 N1 2.155(3) . ?
Co2 O13 2.113(3) . ?
Co2 O14 2.131(3) . ?
Co2 O5 2.044(3) . ?
Co2 O7 2.115(2) 1_556 ?
Si1 C24 1.877(3) . ?
Si1 C1 1.863(3) . ?
Si1 C13 1.871(3) . ?
Si1 C7 1.876(3) . ?
P1 O2 1.505(3) . ?
P1 O3 1.550(3) . ?
P1 O1 1.479(3) . ?
P1 C4 1.799(3) . ?
P2 O4 1.507(3) . ?
P2 O6 1.563(3) . ?
P2 O5 1.488(3) . ?
P2 C10 1.814(3) . ?
P4 O11 1.535(3) . ?
P4 O12 1.486(3) . ?
P4 O10 1.505(3) . ?
P4 C21 1.806(3) . ?
P3 O9 1.555(2) . ?
P3 O8 1.509(2) . ?
P3 O7 1.509(2) . ?
P3 C16 1.808(3) . ?
N2 C34 1.332(6) . ?
N2 C30 1.339(6) . ?
N1 C29 1.338(6) . ?
N1 C25 1.333(6) . ?
N4 C44 1.326(5) . ?
N4 C40 1.333(5) . ?
N3 C35 1.340(5) . ?
N3 C39 1.358(5) . ?
O13 H13A 0.831(19) . ?
O13 H13B 0.87(2) . ?
O14 H14A 0.83(5) . ?
O14 H14B 0.83(6) . ?
O11 H11 0.8200 . ?
O6 H6 0.8200 . ?
O3 H3 0.8200 . ?
O9 H9 0.8200 . ?
C31 H31 0.9300 . ?
C31 C32 1.386(10) . ?
C31 C30 1.395(8) . ?
C11 H11A 0.9300 . ?
C11 C12 1.384(5) . ?
C11 C10 1.380(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.387(5) . ?
C2 C1 1.399(5) . ?
C12 H12 0.9300 . ?
C12 C7 1.383(5) . ?
C20 H20 0.9300 . ?
C20 C19 1.393(5) . ?
C20 C21 1.377(5) . ?
C14 H14 0.9300 . ?
C14 C13 1.392(4) . ?
C14 C15 1.389(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(5) . ?
C17 C16 1.389(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.375(5) . ?
C22 C21 1.397(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.394(5) . ?
C3 H3A 0.9300 . ?
C3 C4 1.386(5) . ?
C6 H6A 0.9300 . ?
C6 C1 1.379(5) . ?
C6 C5 1.394(5) . ?
C9 H9A 0.9300 . ?
C9 C8 1.385(5) . ?
C9 C10 1.373(5) . ?
C18 H18 0.9300 . ?
C18 C13 1.386(4) . ?
C8 H8 0.9300 . ?
C8 C7 1.397(4) . ?
C19 H19 0.9300 . ?
C19 C24 1.383(5) . ?
C5 H5 0.9300 . ?
C5 C4 1.381(5) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.347(11) . ?
C27 C26 1.350(11) . ?
C32 H32 0.9300 . ?
C32 C33 1.335(11) . ?
C29 C28 1.408(7) . ?
C29 C30 1.465(8) . ?
C25 H25 0.9300 . ?
C25 C26 1.395(7) . ?
C28 H28 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.372(7) . ?
C26 H26 0.9300 . ?
C33 H33 0.9300 . ?
C42 H42 0.9300 . ?
C42 C43 1.371(7) . ?
C42 C41 1.362(7) . ?
C44 H44 0.9300 . ?
C44 C43 1.382(6) . ?
C38 H38 0.9300 . ?
C38 C37 1.372(7) . ?
C38 C39 1.384(6) . ?
C37 H37 0.9300 . ?
C37 C36 1.371(7) . ?
C36 H36 0.9300 . ?
C36 C35 1.367(6) . ?
C43 H43 0.9300 . ?
C41 H41 0.9300 . ?
C41 C40 1.402(5) . ?
C35 H35 0.9300 . ?
C39 C40 1.468(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
N3 Co1 N4 76.81(12) . . ?
O12 Co1 N4 86.51(11) 2_554 . ?
O12 Co1 N3 120.46(12) 2_554 . ?
O12 Co1 O8 129.91(12) 2_554 . ?
O1 Co1 N4 174.47(12) 3_665 . ?
O1 Co1 N3 97.85(12) 3_665 . ?
O1 Co1 O12 95.12(11) 3_665 2_554 ?
O1 Co1 O8 94.05(10) 3_665 . ?
O8 Co1 N4 88.92(10) . . ?
O8 Co1 N3 106.76(10) . . ?
N2 Co2 N1 75.68(16) . . ?
O13 Co2 N2 90.28(12) . . ?
O13 Co2 N1 90.42(13) . . ?
O13 Co2 O14 171.22(12) . . ?
O13 Co2 O7 87.23(11) . 1_556 ?
O14 Co2 N2 83.87(13) . . ?
O14 Co2 N1 94.45(12) . . ?
O5 Co2 N2 162.16(13) . . ?
O5 Co2 N1 87.70(14) . . ?
O5 Co2 O13 96.38(12) . . ?
O5 Co2 O14 91.12(12) . . ?
O5 Co2 O7 100.70(10) . 1_556 ?
O7 Co2 N2 96.12(12) 1_556 . ?
O7 Co2 N1 171.47(13) 1_556 . ?
O7 Co2 O14 86.89(10) 1_556 . ?
C1 Si1 C24 108.37(14) . . ?
C1 Si1 C13 110.31(14) . . ?
C1 Si1 C7 108.62(14) . . ?
C13 Si1 C24 108.08(14) . . ?
C13 Si1 C7 110.19(14) . . ?
C7 Si1 C24 111.26(14) . . ?
O2 P1 O3 111.2(2) . . ?
O2 P1 C4 110.02(17) . . ?
O3 P1 C4 104.19(16) . . ?
O1 P1 O2 113.30(19) . . ?
O1 P1 O3 110.20(17) . . ?
O1 P1 C4 107.48(15) . . ?
O4 P2 O6 105.42(15) . . ?
O4 P2 C10 106.90(15) . . ?
O6 P2 C10 105.26(16) . . ?
O5 P2 O4 115.61(15) . . ?
O5 P2 O6 113.28(16) . . ?
O5 P2 C10 109.67(16) . . ?
O11 P4 C21 106.64(17) . . ?
O12 P4 O11 114.5(2) . . ?
O12 P4 O10 115.22(17) . . ?
O12 P4 C21 106.44(16) . . ?
O10 P4 O11 105.73(18) . . ?
O10 P4 C21 107.82(15) . . ?
O9 P3 C16 103.06(14) . . ?
O8 P3 O9 110.36(13) . . ?
O8 P3 C16 108.57(14) . . ?
O7 P3 O9 111.21(13) . . ?
O7 P3 O8 113.90(13) . . ?
O7 P3 C16 109.13(13) . . ?
C34 N2 Co2 124.0(3) . . ?
C34 N2 C30 118.8(4) . . ?
C30 N2 Co2 116.9(3) . . ?
C29 N1 Co2 115.6(3) . . ?
C25 N1 Co2 124.5(4) . . ?
C25 N1 C29 119.9(4) . . ?
C44 N4 Co1 125.0(3) . . ?
C44 N4 C40 119.5(3) . . ?
C40 N4 Co1 115.5(2) . . ?
C35 N3 Co1 124.3(3) . . ?
C35 N3 C39 118.5(3) . . ?
C39 N3 Co1 116.3(2) . . ?
Co2 O13 H13A 107(4) . . ?
Co2 O13 H13B 130(5) . . ?
H13A O13 H13B 123(4) . . ?
Co2 O14 H14A 110(3) . . ?
Co2 O14 H14B 121(4) . . ?
H14A O14 H14B 108(5) . . ?
P4 O11 H11 109.5 . . ?
P4 O12 Co1 141.04(18) . 2_544 ?
P2 O6 H6 109.5 . . ?
P1 O3 H3 109.5 . . ?
P2 O5 Co2 140.76(16) . . ?
P3 O9 H9 109.5 . . ?
P1 O1 Co1 159.28(18) . 3_665 ?
P3 O8 Co1 134.54(14) . . ?
P3 O7 Co2 134.46(13) . 1_554 ?
C32 C31 H31 120.3 . . ?
C32 C31 C30 119.4(6) . . ?
C30 C31 H31 120.3 . . ?
C12 C11 H11A 119.7 . . ?
C10 C11 H11A 119.7 . . ?
C10 C11 C12 120.7(3) . . ?
C3 C2 H2 119.2 . . ?
C3 C2 C1 121.6(3) . . ?
C1 C2 H2 119.2 . . ?
C11 C12 H12 118.8 . . ?
C7 C12 C11 122.5(3) . . ?
C7 C12 H12 118.8 . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C21 C20 C19 120.6(3) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 H14 119.1 . . ?
C15 C14 C13 121.8(3) . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C23 C22 H22 119.7 . . ?
C23 C22 C21 120.5(3) . . ?
C21 C22 H22 119.7 . . ?
C22 C23 H23 118.8 . . ?
C22 C23 C24 122.4(3) . . ?
C24 C23 H23 118.8 . . ?
C2 C3 H3A 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3A 119.8 . . ?
C1 C6 H6A 119.1 . . ?
C1 C6 C5 121.8(3) . . ?
C5 C6 H6A 119.1 . . ?
C8 C9 H9A 119.5 . . ?
C10 C9 H9A 119.5 . . ?
C10 C9 C8 121.1(3) . . ?
C17 C18 H18 119.0 . . ?
C17 C18 C13 121.9(3) . . ?
C13 C18 H18 119.0 . . ?
C9 C8 H8 119.1 . . ?
C9 C8 C7 121.9(3) . . ?
C7 C8 H8 119.1 . . ?
C20 C19 H19 118.9 . . ?
C24 C19 C20 122.2(3) . . ?
C24 C19 H19 118.9 . . ?
C23 C24 Si1 118.6(3) . . ?
C19 C24 Si1 125.0(2) . . ?
C19 C24 C23 116.2(3) . . ?
C2 C1 Si1 119.9(3) . . ?
C6 C1 Si1 122.6(2) . . ?
C6 C1 C2 117.0(3) . . ?
C11 C10 P2 122.1(3) . . ?
C9 C10 P2 119.9(3) . . ?
C9 C10 C11 117.8(3) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C4 C5 H5 119.8 . . ?
C14 C13 Si1 121.6(2) . . ?
C18 C13 Si1 121.4(2) . . ?
C18 C13 C14 117.0(3) . . ?
C12 C7 Si1 123.7(2) . . ?
C12 C7 C8 115.7(3) . . ?
C8 C7 Si1 120.7(3) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C17 C16 P3 120.7(2) . . ?
C15 C16 P3 120.7(2) . . ?
C15 C16 C17 118.7(3) . . ?
C3 C4 P1 119.8(3) . . ?
C5 C4 P1 121.0(3) . . ?
C5 C4 C3 118.7(3) . . ?
C20 C21 P4 123.3(3) . . ?
C20 C21 C22 118.0(3) . . ?
C22 C21 P4 118.7(3) . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 119.9(6) . . ?
C26 C27 H27 120.0 . . ?
C31 C32 H32 120.2 . . ?
C33 C32 C31 119.7(6) . . ?
C33 C32 H32 120.2 . . ?
N1 C29 C28 119.4(6) . . ?
N1 C29 C30 116.3(4) . . ?
C28 C29 C30 124.3(6) . . ?
N1 C25 H25 119.1 . . ?
N1 C25 C26 121.7(7) . . ?
C26 C25 H25 119.1 . . ?
C27 C28 C29 120.4(7) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
N2 C34 H34 118.3 . . ?
N2 C34 C33 123.4(6) . . ?
C33 C34 H34 118.3 . . ?
N2 C30 C31 120.0(6) . . ?
N2 C30 C29 115.2(4) . . ?
C31 C30 C29 124.8(6) . . ?
C27 C26 C25 118.7(7) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C32 C33 C34 118.7(7) . . ?
C32 C33 H33 120.7 . . ?
C34 C33 H33 120.7 . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C41 C42 C43 120.6(4) . . ?
N4 C44 H44 118.8 . . ?
N4 C44 C43 122.3(4) . . ?
C43 C44 H44 118.8 . . ?
C37 C38 H38 120.4 . . ?
C37 C38 C39 119.2(4) . . ?
C39 C38 H38 120.4 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 120.0(4) . . ?
C36 C37 H37 120.0 . . ?
C37 C36 H36 120.8 . . ?
C35 C36 C37 118.5(4) . . ?
C35 C36 H36 120.8 . . ?
C42 C43 C44 118.1(4) . . ?
C42 C43 H43 121.0 . . ?
C44 C43 H43 121.0 . . ?
C42 C41 H41 120.9 . . ?
C42 C41 C40 118.1(4) . . ?
C40 C41 H41 120.9 . . ?
N3 C35 C36 123.0(4) . . ?
N3 C35 H35 118.5 . . ?
C36 C35 H35 118.5 . . ?
N3 C39 C38 120.8(4) . . ?
N3 C39 C40 114.6(3) . . ?
C38 C39 C40 124.6(4) . . ?
N4 C40 C41 121.3(4) . . ?
N4 C40 C39 115.6(3) . . ?
C41 C40 C39 123.1(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N4 C44 C43 178.1(3) . . . . ?
Co1 N4 C40 C41 -178.7(3) . . . . ?
Co1 N4 C40 C39 1.3(4) . . . . ?
Co1 N3 C35 C36 -167.4(3) . . . . ?
Co1 N3 C39 C38 167.8(3) . . . . ?
Co1 N3 C39 C40 -12.0(4) . . . . ?
Co2 N2 C34 C33 173.5(4) . . . . ?
Co2 N2 C30 C31 -174.1(3) . . . . ?
Co2 N2 C30 C29 6.0(5) . . . . ?
Co2 N1 C29 C28 -178.5(3) . . . . ?
Co2 N1 C29 C30 0.4(5) . . . . ?
Co2 N1 C25 C26 178.9(4) . . . . ?
N2 C34 C33 C32 -0.6(9) . . . . ?
N1 C29 C28 C27 -0.1(8) . . . . ?
N1 C29 C30 N2 -4.2(6) . . . . ?
N1 C29 C30 C31 175.9(4) . . . . ?
N1 C25 C26 C27 -0.9(9) . . . . ?
N4 C44 C43 C42 0.5(7) . . . . ?
N3 C39 C40 N4 6.9(5) . . . . ?
N3 C39 C40 C41 -173.0(3) . . . . ?
O2 P1 O1 Co1 -52.6(6) . . . 3_665 ?
O2 P1 C4 C3 170.8(3) . . . . ?
O2 P1 C4 C5 -17.6(3) . . . . ?
O11 P4 O12 Co1 60.6(4) . . . 2_544 ?
O11 P4 C21 C20 -9.4(4) . . . . ?
O11 P4 C21 C22 171.7(3) . . . . ?
O12 P4 C21 C20 -132.1(3) . . . . ?
O12 P4 C21 C22 49.0(3) . . . . ?
O4 P2 O5 Co2 -19.6(3) . . . . ?
O4 P2 C10 C11 112.8(3) . . . . ?
O4 P2 C10 C9 -61.7(3) . . . . ?
O6 P2 O5 Co2 102.2(3) . . . . ?
O6 P2 C10 C11 1.0(4) . . . . ?
O6 P2 C10 C9 -173.5(3) . . . . ?
O3 P1 O1 Co1 72.7(6) . . . 3_665 ?
O3 P1 C4 C3 51.5(3) . . . . ?
O3 P1 C4 C5 -136.9(3) . . . . ?
O10 P4 O12 Co1 -62.3(4) . . . 2_544 ?
O10 P4 C21 C20 103.7(3) . . . . ?
O10 P4 C21 C22 -75.2(3) . . . . ?
O5 P2 C10 C11 -121.2(3) . . . . ?
O5 P2 C10 C9 64.3(3) . . . . ?
O9 P3 O8 Co1 54.8(2) . . . . ?
O9 P3 O7 Co2 77.2(2) . . . 1_554 ?
O9 P3 C16 C17 38.5(3) . . . . ?
O9 P3 C16 C15 -140.9(3) . . . . ?
O1 P1 C4 C3 -65.4(3) . . . . ?
O1 P1 C4 C5 106.1(3) . . . . ?
O8 P3 O7 Co2 -48.3(2) . . . 1_554 ?
O8 P3 C16 C17 155.5(3) . . . . ?
O8 P3 C16 C15 -23.8(3) . . . . ?
O7 P3 O8 Co1 -179.31(16) . . . . ?
O7 P3 C16 C17 -79.8(3) . . . . ?
O7 P3 C16 C15 100.8(3) . . . . ?
C31 C32 C33 C34 1.6(9) . . . . ?
C11 C12 C7 Si1 174.8(3) . . . . ?
C11 C12 C7 C8 -4.9(5) . . . . ?
C2 C3 C4 P1 169.0(3) . . . . ?
C2 C3 C4 C5 -2.8(6) . . . . ?
C12 C11 C10 P2 -169.8(3) . . . . ?
C12 C11 C10 C9 4.8(6) . . . . ?
C20 C19 C24 Si1 173.2(3) . . . . ?
C20 C19 C24 C23 -2.0(6) . . . . ?
C14 C15 C16 P3 177.6(3) . . . . ?
C14 C15 C16 C17 -1.8(5) . . . . ?
C17 C18 C13 Si1 177.3(3) . . . . ?
C17 C18 C13 C14 -1.2(5) . . . . ?
C22 C23 C24 Si1 -173.2(3) . . . . ?
C22 C23 C24 C19 2.2(6) . . . . ?
C23 C22 C21 P4 176.8(3) . . . . ?
C23 C22 C21 C20 -2.2(6) . . . . ?
C3 C2 C1 Si1 -167.1(3) . . . . ?
C3 C2 C1 C6 4.4(5) . . . . ?
C6 C5 C4 P1 -168.2(3) . . . . ?
C6 C5 C4 C3 3.5(5) . . . . ?
C9 C8 C7 Si1 -175.5(3) . . . . ?
C9 C8 C7 C12 4.1(5) . . . . ?
C18 C17 C16 P3 -177.5(3) . . . . ?
C18 C17 C16 C15 1.9(5) . . . . ?
C8 C9 C10 P2 169.2(3) . . . . ?
C8 C9 C10 C11 -5.5(6) . . . . ?
C19 C20 C21 P4 -176.5(3) . . . . ?
C19 C20 C21 C22 2.4(6) . . . . ?
C24 Si1 C1 C2 -52.9(3) . . . . ?
C24 Si1 C1 C6 136.1(3) . . . . ?
C24 Si1 C13 C14 128.2(3) . . . . ?
C24 Si1 C13 C18 -50.3(3) . . . . ?
C24 Si1 C7 C12 -60.5(3) . . . . ?
C24 Si1 C7 C8 119.1(3) . . . . ?
C1 Si1 C24 C23 -45.5(3) . . . . ?
C1 Si1 C24 C19 139.4(3) . . . . ?
C1 Si1 C13 C14 -113.5(3) . . . . ?
C1 Si1 C13 C18 68.0(3) . . . . ?
C1 Si1 C7 C12 -179.7(3) . . . . ?
C1 Si1 C7 C8 -0.1(3) . . . . ?
C1 C2 C3 C4 -1.3(6) . . . . ?
C1 C6 C5 C4 -0.2(5) . . . . ?
C10 P2 O5 Co2 -140.5(3) . . . . ?
C10 C11 C12 C7 0.5(6) . . . . ?
C10 C9 C8 C7 1.0(6) . . . . ?
C5 C6 C1 Si1 167.6(3) . . . . ?
C5 C6 C1 C2 -3.7(5) . . . . ?
C13 Si1 C24 C23 74.0(3) . . . . ?
C13 Si1 C24 C19 -101.0(3) . . . . ?
C13 Si1 C1 C2 -171.0(3) . . . . ?
C13 Si1 C1 C6 17.9(3) . . . . ?
C13 Si1 C7 C12 59.3(3) . . . . ?
C13 Si1 C7 C8 -121.0(3) . . . . ?
C13 C14 C15 C16 0.1(5) . . . . ?
C7 Si1 C24 C23 -164.9(3) . . . . ?
C7 Si1 C24 C19 20.1(3) . . . . ?
C7 Si1 C1 C2 68.1(3) . . . . ?
C7 Si1 C1 C6 -102.9(3) . . . . ?
C7 Si1 C13 C14 6.4(3) . . . . ?
C7 Si1 C13 C18 -172.1(3) . . . . ?
C15 C14 C13 Si1 -177.2(3) . . . . ?
C15 C14 C13 C18 1.3(5) . . . . ?
C16 P3 O8 Co1 -57.5(2) . . . . ?
C16 P3 O7 Co2 -169.76(18) . . . 1_554 ?
C16 C17 C18 C13 -0.3(6) . . . . ?
C4 P1 O1 Co1 -174.4(5) . . . 3_665 ?
C21 P4 O12 Co1 178.2(3) . . . 2_544 ?
C21 C20 C19 C24 -0.3(6) . . . . ?
C21 C22 C23 C24 -0.2(6) . . . . ?
C32 C31 C30 N2 0.8(7) . . . . ?
C32 C31 C30 C29 -179.3(5) . . . . ?
C29 N1 C25 C26 0.6(7) . . . . ?
C25 N1 C29 C28 -0.1(6) . . . . ?
C25 N1 C29 C30 178.8(4) . . . . ?
C28 C27 C26 C25 0.7(10) . . . . ?
C28 C29 C30 N2 174.7(4) . . . . ?
C28 C29 C30 C31 -5.2(7) . . . . ?
C34 N2 C30 C31 0.1(6) . . . . ?
C34 N2 C30 C29 -179.8(4) . . . . ?
C30 N2 C34 C33 -0.2(7) . . . . ?
C30 C31 C32 C33 -1.7(9) . . . . ?
C30 C29 C28 C27 -178.9(5) . . . . ?
C26 C27 C28 C29 -0.2(10) . . . . ?
C42 C41 C40 N4 0.5(6) . . . . ?
C42 C41 C40 C39 -179.5(4) . . . . ?
C44 N4 C40 C41 -0.2(5) . . . . ?
C44 N4 C40 C39 179.8(3) . . . . ?
C38 C37 C36 C35 -2.2(8) . . . . ?
C38 C39 C40 N4 -172.9(4) . . . . ?
C38 C39 C40 C41 7.1(6) . . . . ?
C37 C38 C39 N3 0.4(7) . . . . ?
C37 C38 C39 C40 -179.8(4) . . . . ?
C37 C36 C35 N3 0.6(7) . . . . ?
C43 C42 C41 C40 -0.3(7) . . . . ?
C41 C42 C43 C44 -0.2(7) . . . . ?
C35 N3 C39 C38 -1.9(5) . . . . ?
C35 N3 C39 C40 178.2(3) . . . . ?
C39 N3 C35 C36 1.5(6) . . . . ?
C39 C38 C37 C36 1.7(8) . . . . ?
C40 N4 C44 C43 -0.3(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2035608'
loop_
_audit_author_name
_audit_author_address
'Xue Min'
;Wuhan Textile University
China
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;
_audit_creation_date             2020-09-29
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C34 H32 Co N2 O14 P4 Si, C10 H16 Co N2 O4, 6(H2 O)'
_chemical_formula_sum            'C44 H60 Co2 N4 O24 P4 Si'
_chemical_formula_weight         1298.79
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8494(14)
_cell_length_b                   14.9534(13)
_cell_length_c                   15.0980(13)
_cell_angle_alpha                67.608(2)
_cell_angle_beta                 88.443(2)
_cell_angle_gamma                64.186(2)
_cell_volume                     2751.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6069
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      52.148
_cell_measurement_theta_min      2.958
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.827
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0879
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17347
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.074
_diffrn_reflns_theta_min         1.479
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7145
_reflns_number_total             10789
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.659
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         10789
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0587
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0684P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1514
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Restrained distances
 Co2-H17A \\sim Co2-H17B
 with sigma of 0.02
 Co2-H18A \\sim Co2-H18B
 with sigma of 0.02
 Co2-H16A \\sim Co2-H16B
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O24) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(O24A)=Sof(H24C)=Sof(H24D)=1-FVAR(1)
 Sof(O24)=Sof(H24A)=Sof(H24B)=FVAR(1)
 Sof(O10A)=Sof(O11A)=Sof(H11A)=Sof(O12A)=1-FVAR(2)
 Sof(O10)=Sof(H10)=Sof(O11)=Sof(O12)=FVAR(2)
5.a Riding coordinates:
 O3(H3), O6(H6), O10(H10), O13(H13A,H13B), O14(H14A,H14B), O15(H15A,H15B),
 O16(H16A,H16B), O17(H17A,H17B), O18(H18A,H18B), O20(H20A,H20B), O19(H19A,H19B),
  O23(H23A,H23B), O21(H21A,H21B), O22(H22A,H22B), O24(H24A,H24B), O24A(H24C,
 H24D), O11A(H11A)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3A), C5(H5), C6(H6A), C8(H8A), C9(H9), C11(H11), C12(H12),
 C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C32(H32),
  C25(H25), C26(H26), C27(H27), C28(H28), C31(H31), C33(H33), C34(H34),
 C35(H35), C36(H36), C37(H37), C38(H38), C41(H41), C42(H42), C43(H43), C44(H44),
  C45(H45)
5.c Idealised tetrahedral OH refined as rotating group:
 O8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Co1 Co 0.87574(4) 0.44809(5) 0.34143(4) 0.02024(15) Uani 1 1 d . . . . .
Co2 Co 0.13395(5) 1.20031(5) 0.94595(4) 0.02583(17) Uani 1 1 d D . . . .
Si1 Si 0.37088(9) 0.90609(10) 0.47807(9) 0.0227(3) Uani 1 1 d . . . . .
P1 P 0.81690(8) 0.67012(9) 0.37537(8) 0.0172(2) Uani 1 1 d . . . . .
P2 P 0.09093(8) 0.69273(9) 0.41598(8) 0.0194(2) Uani 1 1 d . . . . .
P3 P 0.18511(9) 1.41005(10) 0.16908(9) 0.0259(3) Uani 1 1 d . . . . .
P4 P 0.39187(11) 0.83034(14) 0.93055(10) 0.0440(4) Uani 1 1 d . . . . .
O1 O 0.8138(2) 0.6109(2) 0.3149(2) 0.0211(7) Uani 1 1 d . . . . .
O2 O 0.8503(2) 0.7566(2) 0.3300(2) 0.0223(7) Uani 1 1 d . . . . .
O3 O 0.8861(2) 0.5837(2) 0.4762(2) 0.0217(7) Uani 1 1 d . . . . .
H3 H 0.887868 0.524868 0.487043 0.033 Uiso 1 1 d R U . . .
O4 O 0.1209(2) 0.5894(2) 0.5075(2) 0.0233(7) Uani 1 1 d . . . . .
O5 O 0.1033(2) 0.6742(2) 0.3250(2) 0.0246(7) Uani 1 1 d . . . . .
O6 O -0.0185(2) 0.7805(2) 0.4114(2) 0.0273(7) Uani 1 1 d . . . . .
H6 H -0.059718 0.771721 0.385095 0.041 Uiso 1 1 d R U . . .
O7 O 0.1706(3) 1.4133(3) 0.0698(2) 0.0330(8) Uani 1 1 d . . . . .
O8 O 0.2695(3) 1.4460(3) 0.1728(3) 0.0415(9) Uani 1 1 d . . . . .
H8 H 0.265367 1.465473 0.217356 0.062 Uiso 1 1 calc R U . . .
O9 O 0.0920(2) 1.4775(2) 0.2002(2) 0.0260(7) Uani 1 1 d . . . . .
O10 O 0.4164(4) 0.7058(4) 0.9808(4) 0.0518(18) Uani 0.703(7) 1 d . . P A 1
H10 H 0.391337 0.694834 1.030462 0.078 Uiso 0.703(7) 1 d R U P A 1
O11 O 0.4862(5) 0.8385(6) 0.9597(5) 0.0481(19) Uani 0.703(7) 1 d . . P A 1
O12 O 0.3003(4) 0.9022(4) 0.9476(3) 0.0339(14) Uani 0.703(7) 1 d . . P A 1
O13 O 0.8971(2) 0.4922(2) 0.1908(2) 0.0287(7) Uani 1 1 d . . . . .
H13A H 0.898963 0.444091 0.172637 0.043 Uiso 1 1 d R U . . .
H13B H 0.955563 0.489221 0.186377 0.043 Uiso 1 1 d R U . . .
O14 O 1.0255(2) 0.4126(2) 0.3684(2) 0.0256(7) Uani 1 1 d . . . . .
H14A H 1.039333 0.455906 0.320296 0.038 Uiso 1 1 d R U . . .
H14B H 1.034992 0.426946 0.416276 0.038 Uiso 1 1 d R U . . .
O15 O 0.1712(2) 1.1134(3) 0.8595(2) 0.0329(8) Uani 1 1 d . . . . .
H15A H 0.229427 1.058467 0.883724 0.049 Uiso 1 1 d R U . . .
H15B H 0.178847 1.151827 0.804284 0.049 Uiso 1 1 d R U . . .
O16 O 0.2227(3) 1.2739(3) 0.8790(2) 0.0470(10) Uani 1 1 d . . . . .
H16A H 0.205325 1.297210 0.818134 0.071 Uiso 1 1 d DR U . . .
H16B H 0.202305 1.331140 0.889284 0.071 Uiso 1 1 d DR U . . .
O17 O 0.0003(2) 1.3066(2) 0.8433(2) 0.0295(8) Uani 1 1 d . . . . .
H17A H -0.036293 1.373484 0.831262 0.044 Uiso 1 1 d DR U . . .
H17B H -0.017363 1.299424 0.794392 0.044 Uiso 1 1 d DR U . . .
O18 O 0.0791(2) 1.3075(3) 1.0168(2) 0.0359(8) Uani 1 1 d . . . . .
H18A H 0.028287 1.319108 1.046188 0.054 Uiso 1 1 d DR U . . .
H18B H 0.100017 1.351298 1.019108 0.054 Uiso 1 1 d DR U . . .
N1 N 0.9095(3) 0.2982(3) 0.3354(3) 0.0248(9) Uani 1 1 d . . . . .
N2 N 0.7304(3) 0.4600(3) 0.3184(3) 0.0292(9) Uani 1 1 d . . . . .
N3 N 0.0729(3) 1.1020(3) 1.0373(3) 0.0249(8) Uani 1 1 d . . . . .
N4 N 0.2615(3) 1.0710(3) 1.0534(3) 0.0301(9) Uani 1 1 d . . . . .
C1 C 0.4990(3) 0.8376(3) 0.4476(3) 0.0201(9) Uani 1 1 d . . . . .
C2 C 0.5365(3) 0.8951(4) 0.3744(3) 0.0221(10) Uani 1 1 d . . . . .
H2 H 0.496741 0.969605 0.339533 0.027 Uiso 1 1 calc R U . . .
C3 C 0.6306(3) 0.8449(3) 0.3521(3) 0.0202(9) Uani 1 1 d . . . . .
H3A H 0.653137 0.885732 0.302289 0.024 Uiso 1 1 calc R U . . .
C4 C 0.6927(3) 0.7337(3) 0.4030(3) 0.0162(9) Uani 1 1 d . . . . .
C5 C 0.6560(3) 0.6743(3) 0.4771(3) 0.0217(10) Uani 1 1 d . . . . .
H5 H 0.696060 0.599854 0.511990 0.026 Uiso 1 1 calc R U . . .
C6 C 0.5615(3) 0.7250(3) 0.4985(3) 0.0212(9) Uani 1 1 d . . . . .
H6A H 0.538450 0.684083 0.547668 0.025 Uiso 1 1 calc R U . . .
C7 C 0.2920(3) 0.8432(3) 0.4592(3) 0.0207(9) Uani 1 1 d . . . . .
C8 C 0.3304(3) 0.7521(4) 0.4365(3) 0.0290(11) Uani 1 1 d . . . . .
H8A H 0.398292 0.720189 0.429962 0.035 Uiso 1 1 calc R U . . .
C9 C 0.2678(3) 0.7087(4) 0.4234(3) 0.0271(11) Uani 1 1 d . . . . .
H9 H 0.295173 0.647736 0.409184 0.033 Uiso 1 1 calc R U . . .
C10 C 0.1675(3) 0.7536(3) 0.4311(3) 0.0193(9) Uani 1 1 d . . . . .
C11 C 0.1272(3) 0.8450(3) 0.4528(3) 0.0226(10) Uani 1 1 d . . . . .
H11 H 0.058871 0.877268 0.457692 0.027 Uiso 1 1 calc R U . . .
C12 C 0.1891(3) 0.8878(4) 0.4671(3) 0.0247(10) Uani 1 1 d . . . . .
H12 H 0.161280 0.948025 0.482411 0.030 Uiso 1 1 calc R U . . .
C13 C 0.3100(3) 1.0533(4) 0.3938(3) 0.0235(10) Uani 1 1 d . . . . .
C14 C 0.2980(3) 1.1376(4) 0.4211(3) 0.0251(10) Uani 1 1 d . . . . .
H14 H 0.315698 1.121076 0.486081 0.030 Uiso 1 1 calc R U . . .
C15 C 0.2608(3) 1.2434(4) 0.3541(3) 0.0256(10) Uani 1 1 d . . . . .
H15 H 0.252561 1.297357 0.374642 0.031 Uiso 1 1 calc R U . . .
C16 C 0.2352(3) 1.2713(4) 0.2561(3) 0.0243(10) Uani 1 1 d . . . . .
C17 C 0.2470(4) 1.1886(4) 0.2285(3) 0.0312(11) Uani 1 1 d . . . . .
H17 H 0.230232 1.204976 0.163334 0.037 Uiso 1 1 calc R U . . .
C18 C 0.2832(3) 1.0824(4) 0.2964(3) 0.0288(11) Uani 1 1 d . . . . .
H18 H 0.289619 1.028892 0.275865 0.035 Uiso 1 1 calc R U . . .
C19 C 0.3808(3) 0.8905(4) 0.6069(3) 0.0247(10) Uani 1 1 d . . . . .
C20 C 0.4708(3) 0.8205(4) 0.6734(3) 0.0316(11) Uani 1 1 d . . . . .
H20 H 0.529514 0.783734 0.652353 0.038 Uiso 1 1 calc R U . . .
C21 C 0.4746(4) 0.8045(4) 0.7695(4) 0.0344(12) Uani 1 1 d . . . . .
H21 H 0.535875 0.757569 0.812038 0.041 Uiso 1 1 calc R U . . .
C22 C 0.3884(3) 0.8574(4) 0.8041(3) 0.0273(11) Uani 1 1 d . . . . .
C23 C 0.2990(3) 0.9306(4) 0.7381(3) 0.0272(11) Uani 1 1 d . . . . .
H23 H 0.241191 0.969515 0.758944 0.033 Uiso 1 1 calc R U . . .
C32 C 0.2953(3) 0.9463(4) 0.6415(3) 0.0277(11) Uani 1 1 d . . . . .
H32 H 0.234488 0.994983 0.598603 0.033 Uiso 1 1 calc R U . . .
C25 C 1.0029(4) 0.2244(4) 0.3367(4) 0.0343(12) Uani 1 1 d . . . . .
H25 H 1.058572 0.230295 0.355488 0.041 Uiso 1 1 calc R U . . .
C26 C 1.0192(5) 0.1396(4) 0.3110(4) 0.0469(15) Uani 1 1 d . . . . .
H26 H 1.084761 0.090101 0.311502 0.056 Uiso 1 1 calc R U . . .
C27 C 0.9379(5) 0.1298(5) 0.2850(4) 0.0518(16) Uani 1 1 d . . . . .
H27 H 0.947536 0.072371 0.268991 0.062 Uiso 1 1 calc R U . . .
C28 C 0.8412(5) 0.2055(4) 0.2827(4) 0.0429(14) Uani 1 1 d . . . . .
H28 H 0.785085 0.200321 0.264222 0.052 Uiso 1 1 calc R U . . .
C29 C 0.8287(4) 0.2895(4) 0.3083(3) 0.0285(11) Uani 1 1 d . . . . .
C30 C 0.7286(4) 0.3746(4) 0.3069(3) 0.0301(11) Uani 1 1 d . . . . .
C31 C 0.6382(4) 0.3717(5) 0.2942(5) 0.0532(17) Uani 1 1 d . . . . .
H31 H 0.638112 0.313356 0.285623 0.064 Uiso 1 1 calc R U . . .
C33 C 0.5498(4) 0.5415(5) 0.3053(6) 0.069(2) Uani 1 1 d . . . . .
H33 H 0.489851 0.599392 0.304563 0.083 Uiso 1 1 calc R U . . .
C34 C 0.6428(4) 0.5403(4) 0.3175(4) 0.0440(14) Uani 1 1 d . . . . .
H34 H 0.643689 0.598620 0.325514 0.053 Uiso 1 1 calc R U . . .
C35 C -0.0251(4) 1.1241(4) 1.0285(3) 0.0301(11) Uani 1 1 d . . . . .
H35 H -0.071885 1.190984 0.981767 0.036 Uiso 1 1 calc R U . . .
C36 C -0.0599(4) 1.0520(4) 1.0856(3) 0.0322(11) Uani 1 1 d . . . . .
H36 H -0.128502 1.070438 1.077434 0.039 Uiso 1 1 calc R U . . .
C37 C 0.0090(4) 0.9530(4) 1.1544(3) 0.0356(12) Uani 1 1 d . . . . .
H37 H -0.011672 0.902020 1.192398 0.043 Uiso 1 1 calc R U . . .
C38 C 0.1105(4) 0.9303(4) 1.1661(3) 0.0354(12) Uani 1 1 d . . . . .
H38 H 0.157946 0.864594 1.213653 0.043 Uiso 1 1 calc R U . . .
C39 C 0.1405(4) 1.0054(4) 1.1072(3) 0.0268(10) Uani 1 1 d . . . . .
C40 C 0.2463(4) 0.9881(4) 1.1137(3) 0.0283(11) Uani 1 1 d . . . . .
C41 C 0.3278(4) 0.8910(4) 1.1774(4) 0.0382(13) Uani 1 1 d . . . . .
H41 H 0.316732 0.833129 1.217755 0.046 Uiso 1 1 calc R U . . .
C42 C 0.4240(4) 0.8816(5) 1.1799(4) 0.0491(16) Uani 1 1 d . . . . .
H42 H 0.478226 0.817695 1.222401 0.059 Uiso 1 1 calc R U . . .
C43 C 0.4395(4) 0.9672(5) 1.1192(4) 0.0467(15) Uani 1 1 d . . . . .
H43 H 0.503866 0.962968 1.120116 0.056 Uiso 1 1 calc R U . . .
C44 C 0.3567(4) 1.0596(5) 1.0568(4) 0.0404(13) Uani 1 1 d . . . . .
H44 H 0.367108 1.117342 1.014764 0.049 Uiso 1 1 calc R U . . .
C45 C 0.5489(5) 0.4549(5) 0.2944(6) 0.074(2) Uani 1 1 d . . . . .
H45 H 0.488003 0.452768 0.287151 0.089 Uiso 1 1 calc R U . . .
O20 O 0.8924(3) 0.3869(3) 0.0761(2) 0.0367(8) Uani 1 1 d . . . . .
H20A H 0.857648 0.447919 0.028787 0.055 Uiso 1 1 d R U . . .
H20B H 0.862868 0.346619 0.092787 0.055 Uiso 1 1 d R U . . .
O19 O 0.2721(2) 0.5495(3) 0.2732(2) 0.0373(8) Uani 1 1 d . . . . .
H19A H 0.215459 0.585279 0.287133 0.056 Uiso 1 1 d R U . . .
H19B H 0.281389 0.597349 0.226603 0.056 Uiso 1 1 d R U . . .
O23 O 0.6799(5) 0.3036(5) 0.8597(4) 0.128(3) Uani 1 1 d . . . . .
H23A H 0.721019 0.274455 0.912140 0.192 Uiso 1 1 d R U . . .
H23B H 0.636009 0.284285 0.871450 0.192 Uiso 1 1 d R U . . .
O21 O 0.3260(4) 0.3361(6) 0.9762(4) 0.130(3) Uani 1 1 d . . . . .
H21A H 0.317668 0.393302 0.982296 0.195 Uiso 1 1 d R U . . .
H21B H 0.389998 0.298322 0.984616 0.195 Uiso 1 1 d R U . . .
O22 O 0.7161(5) 0.3723(6) 0.0405(5) 0.139(3) Uani 1 1 d . . . . .
H22A H 0.695505 0.443014 0.010810 0.208 Uiso 1 1 d R U . . .
H22B H 0.665385 0.359544 0.043900 0.208 Uiso 1 1 d R U . . .
O24 O 0.4292(10) 0.4466(8) 0.9199(7) 0.154(6) Uani 0.597(10) 1 d . U P B 1
H24A H 0.451768 0.491999 0.898758 0.231 Uiso 0.597(10) 1 d R U P B 1
H24B H 0.482648 0.388409 0.952598 0.231 Uiso 0.597(10) 1 d R U P B 1
O24A O 0.5748(9) 0.5364(10) 0.9482(14) 0.125(8) Uani 0.403(10) 1 d . . P B 2
H24C H 0.561956 0.572811 0.886960 0.187 Uiso 0.403(10) 1 d R U P B 2
H24D H 0.528976 0.571321 0.974220 0.187 Uiso 0.403(10) 1 d R U P B 2
O10A O 0.4977(13) 0.7713(14) 0.9840(11) 0.052(5) Uani 0.297(7) 1 d . . P A 2
O11A O 0.3606(10) 0.9599(10) 0.9217(9) 0.051(4) Uani 0.297(7) 1 d . . P A 2
H11A H 0.354439 1.000251 0.864814 0.077 Uiso 0.297(7) 1 d R U P A 2
O12A O 0.3099(9) 0.8083(10) 0.9722(8) 0.040(4) Uani 0.297(7) 1 d . . P A 2


_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
Co1 O1 2.064(3) . ?
Co1 O4 2.127(3) 2_666 ?
Co1 O13 2.169(3) . ?
Co1 O14 2.062(3) . ?
Co1 N1 2.111(3) . ?
Co1 N2 2.114(4) . ?
Co2 O15 2.079(3) . ?
Co2 O16 2.077(3) . ?
Co2 O17 2.100(3) . ?
Co2 O18 2.121(3) . ?
Co2 N3 2.105(4) . ?
Co2 N4 2.132(4) . ?
Si1 C1 1.869(4) . ?
Si1 C7 1.876(4) . ?
Si1 C13 1.865(5) . ?
Si1 C19 1.871(4) . ?
P1 O1 1.508(3) . ?
P1 O2 1.501(3) . ?
P1 O3 1.572(3) . ?
P1 C4 1.793(4) . ?
P2 O4 1.518(3) . ?
P2 O5 1.494(3) . ?
P2 O6 1.564(3) . ?
P2 C10 1.803(4) . ?
P3 O7 1.499(3) . ?
P3 O8 1.573(3) . ?
P3 O9 1.504(3) . ?
P3 C16 1.793(5) . ?
P4 O10 1.589(5) . ?
P4 O11 1.546(7) . ?
P4 O12 1.410(5) . ?
P4 C22 1.792(5) . ?
P4 O10A 1.489(16) . ?
P4 O11A 1.734(12) . ?
P4 O12A 1.461(11) . ?
O3 H3 0.8199 . ?
O6 H6 0.8201 . ?
O8 H8 0.8200 . ?
O10 H10 0.8201 . ?
O13 H13A 0.8526 . ?
O13 H13B 0.8523 . ?
O14 H14A 0.8589 . ?
O14 H14B 0.8591 . ?
O15 H15A 0.8516 . ?
O15 H15B 0.8518 . ?
O16 H16A 0.8503 . ?
O16 H16B 0.8495 . ?
O17 H17A 0.8500 . ?
O17 H17B 0.8493 . ?
O18 H18A 0.8496 . ?
O18 H18B 0.8504 . ?
N1 C25 1.340(6) . ?
N1 C29 1.352(6) . ?
N2 C30 1.363(5) . ?
N2 C34 1.329(6) . ?
N3 C35 1.343(6) . ?
N3 C39 1.357(5) . ?
N4 C40 1.337(6) . ?
N4 C44 1.348(6) . ?
C1 C2 1.389(6) . ?
C1 C6 1.408(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(6) . ?
C3 H3A 0.9300 . ?
C3 C4 1.391(6) . ?
C4 C5 1.402(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.372(6) . ?
C6 H6A 0.9300 . ?
C7 C8 1.403(6) . ?
C7 C12 1.398(6) . ?
C8 H8A 0.9300 . ?
C8 C9 1.399(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.364(6) . ?
C10 C11 1.397(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.388(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.409(6) . ?
C13 C18 1.381(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.372(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.389(6) . ?
C16 C17 1.392(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.381(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.394(6) . ?
C19 C32 1.397(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.376(6) . ?
C21 H21 0.9300 . ?
C21 C22 1.390(6) . ?
C22 C23 1.389(6) . ?
C23 H23 0.9300 . ?
C23 C32 1.385(6) . ?
C32 H32 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.385(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.364(8) . ?
C27 H27 0.9300 . ?
C27 C28 1.379(8) . ?
C28 H28 0.9300 . ?
C28 C29 1.387(6) . ?
C29 C30 1.470(7) . ?
C30 C31 1.383(7) . ?
C31 H31 0.9300 . ?
C31 C45 1.368(8) . ?
C33 H33 0.9300 . ?
C33 C34 1.389(7) . ?
C33 C45 1.372(8) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.388(7) . ?
C36 H36 0.9300 . ?
C36 C37 1.373(7) . ?
C37 H37 0.9300 . ?
C37 C38 1.393(7) . ?
C38 H38 0.9300 . ?
C38 C39 1.380(7) . ?
C39 C40 1.477(7) . ?
C40 C41 1.402(6) . ?
C41 H41 0.9300 . ?
C41 C42 1.373(8) . ?
C42 H42 0.9300 . ?
C42 C43 1.372(8) . ?
C43 H43 0.9300 . ?
C43 C44 1.378(7) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
O20 H20A 0.8504 . ?
O20 H20B 0.8521 . ?
O19 H19A 0.8494 . ?
O19 H19B 0.8505 . ?
O23 H23A 0.8496 . ?
O23 H23B 0.8112 . ?
O21 H21A 0.8497 . ?
O21 H21B 0.8501 . ?
O22 H22A 0.8814 . ?
O22 H22B 0.8500 . ?
O24 H24A 0.8376 . ?
O24 H24B 0.8503 . ?
O24A H24C 0.8500 . ?
O24A H24D 0.8504 . ?
O11A H11A 0.8199 . ?

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
O1 Co1 O4 88.75(11) . 2_666 ?
O1 Co1 O13 88.18(11) . . ?
O1 Co1 N1 164.41(12) . . ?
O1 Co1 N2 91.57(13) . . ?
O4 Co1 O13 168.83(11) 2_666 . ?
O14 Co1 O1 96.83(11) . . ?
O14 Co1 O4 85.13(11) . 2_666 ?
O14 Co1 O13 84.58(12) . . ?
O14 Co1 N1 94.61(13) . . ?
O14 Co1 N2 171.60(13) . . ?
N1 Co1 O4 102.78(12) . 2_666 ?
N1 Co1 O13 82.37(12) . . ?
N1 Co1 N2 77.20(14) . . ?
N2 Co1 O4 94.79(13) . 2_666 ?
N2 Co1 O13 96.02(13) . . ?
O15 Co2 O17 84.90(12) . . ?
O15 Co2 O18 171.64(12) . . ?
O15 Co2 N3 91.72(13) . . ?
O15 Co2 N4 89.69(13) . . ?
O16 Co2 O15 89.62(14) . . ?
O16 Co2 O17 97.92(13) . . ?
O16 Co2 O18 89.63(14) . . ?
O16 Co2 N3 167.31(14) . . ?
O16 Co2 N4 90.54(15) . . ?
O17 Co2 O18 86.96(12) . . ?
O17 Co2 N3 94.76(13) . . ?
O17 Co2 N4 169.90(14) . . ?
O18 Co2 N4 98.64(13) . . ?
N3 Co2 O18 90.84(13) . . ?
N3 Co2 N4 76.85(15) . . ?
C1 Si1 C7 108.55(19) . . ?
C1 Si1 C19 111.03(19) . . ?
C13 Si1 C1 108.5(2) . . ?
C13 Si1 C7 109.00(19) . . ?
C13 Si1 C19 110.04(19) . . ?
C19 Si1 C7 109.69(19) . . ?
O1 P1 O3 108.56(16) . . ?
O1 P1 C4 108.80(17) . . ?
O2 P1 O1 115.92(17) . . ?
O2 P1 O3 110.23(16) . . ?
O2 P1 C4 107.50(18) . . ?
O3 P1 C4 105.30(18) . . ?
O4 P2 O6 110.45(17) . . ?
O4 P2 C10 106.64(17) . . ?
O5 P2 O4 113.77(17) . . ?
O5 P2 O6 112.27(17) . . ?
O5 P2 C10 110.95(19) . . ?
O6 P2 C10 101.97(18) . . ?
O7 P3 O8 107.48(19) . . ?
O7 P3 O9 116.18(19) . . ?
O7 P3 C16 108.43(19) . . ?
O8 P3 C16 106.4(2) . . ?
O9 P3 O8 109.92(17) . . ?
O9 P3 C16 108.01(19) . . ?
O10 P4 C22 103.5(3) . . ?
O11 P4 O10 107.6(4) . . ?
O11 P4 C22 104.9(3) . . ?
O12 P4 O10 114.4(3) . . ?
O12 P4 O11 114.1(3) . . ?
O12 P4 C22 111.4(3) . . ?
O10A P4 C22 112.0(6) . . ?
O10A P4 O11A 99.3(8) . . ?
O11A P4 C22 98.7(4) . . ?
O12A P4 C22 114.4(5) . . ?
O12A P4 O10A 122.9(9) . . ?
O12A P4 O11A 104.6(7) . . ?
P1 O1 Co1 133.19(17) . . ?
P1 O3 H3 109.0 . . ?
P2 O4 Co1 135.19(17) . 2_666 ?
P2 O6 H6 109.0 . . ?
P3 O8 H8 109.5 . . ?
P4 O10 H10 109.5 . . ?
Co1 O13 H13A 109.5 . . ?
Co1 O13 H13B 109.3 . . ?
H13A O13 H13B 104.4 . . ?
Co1 O14 H14A 109.9 . . ?
Co1 O14 H14B 109.8 . . ?
H14A O14 H14B 104.0 . . ?
Co2 O15 H15A 109.3 . . ?
Co2 O15 H15B 109.4 . . ?
H15A O15 H15B 104.4 . . ?
Co2 O16 H16A 106.6 . . ?
Co2 O16 H16B 105.8 . . ?
H16A O16 H16B 104.5 . . ?
Co2 O17 H17A 125.7 . . ?
Co2 O17 H17B 127.0 . . ?
H17A O17 H17B 104.5 . . ?
Co2 O18 H18A 127.2 . . ?
Co2 O18 H18B 128.2 . . ?
H18A O18 H18B 104.5 . . ?
C25 N1 Co1 124.2(3) . . ?
C25 N1 C29 119.0(4) . . ?
C29 N1 Co1 115.3(3) . . ?
C30 N2 Co1 115.8(3) . . ?
C34 N2 Co1 126.0(3) . . ?
C34 N2 C30 118.2(4) . . ?
C35 N3 Co2 125.6(3) . . ?
C35 N3 C39 118.1(4) . . ?
C39 N3 Co2 116.2(3) . . ?
C40 N4 Co2 115.2(3) . . ?
C40 N4 C44 118.3(4) . . ?
C44 N4 Co2 125.8(4) . . ?
C2 C1 Si1 121.8(3) . . ?
C2 C1 C6 117.3(4) . . ?
C6 C1 Si1 120.9(3) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.8(4) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3A 119.6 . . ?
C2 C3 C4 120.8(4) . . ?
C4 C3 H3A 119.6 . . ?
C3 C4 P1 120.3(3) . . ?
C3 C4 C5 118.1(4) . . ?
C5 C4 P1 121.6(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.7(4) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 H6A 119.4 . . ?
C5 C6 C1 121.2(4) . . ?
C5 C6 H6A 119.4 . . ?
C8 C7 Si1 123.4(3) . . ?
C12 C7 Si1 119.9(3) . . ?
C12 C7 C8 116.7(4) . . ?
C7 C8 H8A 119.6 . . ?
C9 C8 C7 120.8(4) . . ?
C9 C8 H8A 119.6 . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.6(4) . . ?
C10 C9 H9 119.2 . . ?
C9 C10 P2 119.7(3) . . ?
C9 C10 C11 118.7(4) . . ?
C11 C10 P2 121.5(3) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 120.1(4) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 118.9 . . ?
C11 C12 C7 122.1(4) . . ?
C11 C12 H12 118.9 . . ?
C14 C13 Si1 124.1(3) . . ?
C18 C13 Si1 118.8(3) . . ?
C18 C13 C14 116.8(4) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 C13 121.5(4) . . ?
C15 C14 H14 119.2 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.1(4) . . ?
C16 C15 H15 119.4 . . ?
C15 C16 P3 120.9(3) . . ?
C15 C16 C17 117.7(4) . . ?
C17 C16 P3 121.4(3) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 120.9(4) . . ?
C18 C17 H17 119.5 . . ?
C13 C18 C17 121.9(4) . . ?
C13 C18 H18 119.0 . . ?
C17 C18 H18 119.0 . . ?
C20 C19 Si1 122.4(3) . . ?
C20 C19 C32 117.1(4) . . ?
C32 C19 Si1 120.4(3) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 C19 121.5(4) . . ?
C21 C20 H20 119.3 . . ?
C20 C21 H21 119.5 . . ?
C20 C21 C22 121.1(4) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 P4 121.0(4) . . ?
C23 C22 P4 120.8(4) . . ?
C23 C22 C21 118.1(4) . . ?
C22 C23 H23 119.7 . . ?
C32 C23 C22 120.6(4) . . ?
C32 C23 H23 119.7 . . ?
C19 C32 H32 119.2 . . ?
C23 C32 C19 121.5(4) . . ?
C23 C32 H32 119.2 . . ?
N1 C25 H25 119.0 . . ?
N1 C25 C26 122.0(5) . . ?
C26 C25 H25 119.0 . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.2(5) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.5(5) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 120.4 . . ?
C27 C28 C29 119.3(5) . . ?
C29 C28 H28 120.4 . . ?
N1 C29 C28 121.1(5) . . ?
N1 C29 C30 115.8(4) . . ?
C28 C29 C30 123.1(4) . . ?
N2 C30 C29 114.7(4) . . ?
N2 C30 C31 121.1(5) . . ?
C31 C30 C29 124.2(4) . . ?
C30 C31 H31 120.1 . . ?
C45 C31 C30 119.8(5) . . ?
C45 C31 H31 120.1 . . ?
C34 C33 H33 120.9 . . ?
C45 C33 H33 120.9 . . ?
C45 C33 C34 118.2(6) . . ?
N2 C34 C33 123.2(5) . . ?
N2 C34 H34 118.4 . . ?
C33 C34 H34 118.4 . . ?
N3 C35 H35 118.4 . . ?
N3 C35 C36 123.2(5) . . ?
C36 C35 H35 118.4 . . ?
C35 C36 H36 120.7 . . ?
C37 C36 C35 118.6(5) . . ?
C37 C36 H36 120.7 . . ?
C36 C37 H37 120.7 . . ?
C36 C37 C38 118.7(5) . . ?
C38 C37 H37 120.7 . . ?
C37 C38 H38 120.0 . . ?
C39 C38 C37 120.0(5) . . ?
C39 C38 H38 120.0 . . ?
N3 C39 C38 121.3(4) . . ?
N3 C39 C40 114.8(4) . . ?
C38 C39 C40 123.8(4) . . ?
N4 C40 C39 116.0(4) . . ?
N4 C40 C41 120.7(5) . . ?
C41 C40 C39 123.3(5) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(5) . . ?
C42 C41 H41 120.1 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.5(5) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 121.0 . . ?
C42 C43 C44 117.9(5) . . ?
C44 C43 H43 121.0 . . ?
N4 C44 C43 123.6(5) . . ?
N4 C44 H44 118.2 . . ?
C43 C44 H44 118.2 . . ?
C31 C45 C33 119.6(5) . . ?
C31 C45 H45 120.2 . . ?
C33 C45 H45 120.2 . . ?
H20A O20 H20B 113.2 . . ?
H19A O19 H19B 104.5 . . ?
H23A O23 H23B 107.9 . . ?
H21A O21 H21B 104.6 . . ?
H22A O22 H22B 109.8 . . ?
H24A O24 H24B 101.7 . . ?
H24C O24A H24D 109.5 . . ?
P4 O11A H11A 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N1 C25 C26 -165.2(4) . . . . ?
Co1 N1 C29 C28 167.0(4) . . . . ?
Co1 N1 C29 C30 -12.3(5) . . . . ?
Co1 N2 C30 C29 -2.5(5) . . . . ?
Co1 N2 C30 C31 178.1(4) . . . . ?
Co1 N2 C34 C33 -177.7(5) . . . . ?
Co2 N3 C35 C36 174.3(3) . . . . ?
Co2 N3 C39 C38 -174.6(3) . . . . ?
Co2 N3 C39 C40 5.0(5) . . . . ?
Co2 N4 C40 C39 -9.0(5) . . . . ?
Co2 N4 C40 C41 169.9(3) . . . . ?
Co2 N4 C44 C43 -170.4(4) . . . . ?
Si1 C1 C2 C3 179.9(3) . . . . ?
Si1 C1 C6 C5 -179.5(3) . . . . ?
Si1 C7 C8 C9 179.9(4) . . . . ?
Si1 C7 C12 C11 179.3(3) . . . . ?
Si1 C13 C14 C15 174.2(4) . . . . ?
Si1 C13 C18 C17 -173.6(4) . . . . ?
Si1 C19 C20 C21 -175.3(4) . . . . ?
Si1 C19 C32 C23 175.6(3) . . . . ?
P1 C4 C5 C6 178.5(3) . . . . ?
P2 C10 C11 C12 177.9(3) . . . . ?
P3 C16 C17 C18 -178.3(4) . . . . ?
P4 C22 C23 C32 -176.0(3) . . . . ?
O1 P1 C4 C3 -102.1(3) . . . . ?
O1 P1 C4 C5 79.2(3) . . . . ?
O2 P1 O1 Co1 127.1(2) . . . . ?
O2 P1 C4 C3 24.1(3) . . . . ?
O2 P1 C4 C5 -154.5(3) . . . . ?
O3 P1 O1 Co1 2.4(3) . . . . ?
O3 P1 C4 C3 141.6(3) . . . . ?
O3 P1 C4 C5 -37.0(3) . . . . ?
O4 P2 C10 C9 74.1(4) . . . . ?
O4 P2 C10 C11 -104.4(4) . . . . ?
O5 P2 O4 Co1 179.9(2) . . . 2_666 ?
O5 P2 C10 C9 -50.3(4) . . . . ?
O5 P2 C10 C11 131.2(3) . . . . ?
O6 P2 O4 Co1 -52.8(3) . . . 2_666 ?
O6 P2 C10 C9 -170.0(4) . . . . ?
O6 P2 C10 C11 11.4(4) . . . . ?
O7 P3 C16 C15 176.8(4) . . . . ?
O7 P3 C16 C17 -5.0(4) . . . . ?
O8 P3 C16 C15 61.5(4) . . . . ?
O8 P3 C16 C17 -120.4(4) . . . . ?
O9 P3 C16 C15 -56.5(4) . . . . ?
O9 P3 C16 C17 121.6(4) . . . . ?
O10 P4 C22 C21 -64.0(5) . . . . ?
O10 P4 C22 C23 115.0(4) . . . . ?
O11 P4 C22 C21 48.7(5) . . . . ?
O11 P4 C22 C23 -132.3(5) . . . . ?
O12 P4 C22 C21 172.6(4) . . . . ?
O12 P4 C22 C23 -8.4(5) . . . . ?
N1 C25 C26 C27 -1.1(8) . . . . ?
N1 C29 C30 N2 9.8(6) . . . . ?
N1 C29 C30 C31 -170.8(5) . . . . ?
N2 C30 C31 C45 -0.9(9) . . . . ?
N3 C35 C36 C37 -0.3(7) . . . . ?
N3 C39 C40 N4 2.7(6) . . . . ?
N3 C39 C40 C41 -176.2(4) . . . . ?
N4 C40 C41 C42 1.8(7) . . . . ?
C1 Si1 C7 C8 6.3(4) . . . . ?
C1 Si1 C7 C12 -173.2(3) . . . . ?
C1 Si1 C13 C14 -106.5(4) . . . . ?
C1 Si1 C13 C18 67.2(4) . . . . ?
C1 Si1 C19 C20 -10.5(4) . . . . ?
C1 Si1 C19 C32 172.5(3) . . . . ?
C1 C2 C3 C4 -0.5(6) . . . . ?
C2 C1 C6 C5 0.4(6) . . . . ?
C2 C3 C4 P1 -178.1(3) . . . . ?
C2 C3 C4 C5 0.6(6) . . . . ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C4 P1 O1 Co1 -111.7(2) . . . . ?
C4 C5 C6 C1 -0.4(6) . . . . ?
C6 C1 C2 C3 0.0(6) . . . . ?
C7 Si1 C1 C2 119.8(3) . . . . ?
C7 Si1 C1 C6 -60.3(4) . . . . ?
C7 Si1 C13 C14 135.5(4) . . . . ?
C7 Si1 C13 C18 -50.8(4) . . . . ?
C7 Si1 C19 C20 109.5(4) . . . . ?
C7 Si1 C19 C32 -67.6(4) . . . . ?
C7 C8 C9 C10 0.8(7) . . . . ?
C8 C7 C12 C11 -0.3(7) . . . . ?
C8 C9 C10 P2 -178.8(4) . . . . ?
C8 C9 C10 C11 -0.2(7) . . . . ?
C9 C10 C11 C12 -0.6(6) . . . . ?
C10 P2 O4 Co1 57.3(3) . . . 2_666 ?
C10 C11 C12 C7 0.9(7) . . . . ?
C12 C7 C8 C9 -0.6(7) . . . . ?
C13 Si1 C1 C2 1.5(4) . . . . ?
C13 Si1 C1 C6 -178.6(3) . . . . ?
C13 Si1 C7 C8 124.3(4) . . . . ?
C13 Si1 C7 C12 -55.2(4) . . . . ?
C13 Si1 C19 C20 -130.6(4) . . . . ?
C13 Si1 C19 C32 52.4(4) . . . . ?
C13 C14 C15 C16 -1.2(7) . . . . ?
C14 C13 C18 C17 0.5(7) . . . . ?
C14 C15 C16 P3 179.2(3) . . . . ?
C14 C15 C16 C17 1.0(7) . . . . ?
C15 C16 C17 C18 -0.2(7) . . . . ?
C16 C17 C18 C13 -0.6(7) . . . . ?
C18 C13 C14 C15 0.4(6) . . . . ?
C19 Si1 C1 C2 -119.6(3) . . . . ?
C19 Si1 C1 C6 60.3(4) . . . . ?
C19 Si1 C7 C8 -115.1(4) . . . . ?
C19 Si1 C7 C12 65.3(4) . . . . ?
C19 Si1 C13 C14 15.2(4) . . . . ?
C19 Si1 C13 C18 -171.2(3) . . . . ?
C19 C20 C21 C22 0.4(8) . . . . ?
C20 C19 C32 C23 -1.6(6) . . . . ?
C20 C21 C22 P4 176.2(4) . . . . ?
C20 C21 C22 C23 -2.8(7) . . . . ?
C21 C22 C23 C32 3.0(7) . . . . ?
C22 C23 C32 C19 -0.8(7) . . . . ?
C32 C19 C20 C21 1.8(7) . . . . ?
C25 N1 C29 C28 0.4(7) . . . . ?
C25 N1 C29 C30 -178.9(4) . . . . ?
C25 C26 C27 C28 1.4(9) . . . . ?
C26 C27 C28 C29 -0.9(8) . . . . ?
C27 C28 C29 N1 0.0(7) . . . . ?
C27 C28 C29 C30 179.2(5) . . . . ?
C28 C29 C30 N2 -169.5(4) . . . . ?
C28 C29 C30 C31 9.9(8) . . . . ?
C29 N1 C25 C26 0.1(7) . . . . ?
C29 C30 C31 C45 179.8(6) . . . . ?
C30 N2 C34 C33 -0.2(9) . . . . ?
C30 C31 C45 C33 1.2(11) . . . . ?
C34 N2 C30 C29 179.8(4) . . . . ?
C34 N2 C30 C31 0.4(7) . . . . ?
C34 C33 C45 C31 -1.1(11) . . . . ?
C35 N3 C39 C38 1.7(6) . . . . ?
C35 N3 C39 C40 -178.8(4) . . . . ?
C35 C36 C37 C38 2.0(7) . . . . ?
C36 C37 C38 C39 -2.0(7) . . . . ?
C37 C38 C39 N3 0.1(7) . . . . ?
C37 C38 C39 C40 -179.5(4) . . . . ?
C38 C39 C40 N4 -177.7(4) . . . . ?
C38 C39 C40 C41 3.4(7) . . . . ?
C39 N3 C35 C36 -1.6(6) . . . . ?
C39 C40 C41 C42 -179.3(4) . . . . ?
C40 N4 C44 C43 0.0(7) . . . . ?
C40 C41 C42 C43 -0.7(7) . . . . ?
C41 C42 C43 C44 -0.7(8) . . . . ?
C42 C43 C44 N4 1.1(8) . . . . ?
C44 N4 C40 C39 179.6(4) . . . . ?
C44 N4 C40 C41 -1.5(6) . . . . ?
C45 C33 C34 N2 0.5(11) . . . . ?
O10A P4 C22 C21 14.6(9) . . . . ?
O10A P4 C22 C23 -166.4(9) . . . . ?
O11A P4 C22 C21 118.4(6) . . . . ?
O11A P4 C22 C23 -62.6(6) . . . . ?
O12A P4 C22 C21 -131.1(7) . . . . ?
O12A P4 C22 C23 47.9(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_Co318
_database_code_depnum_ccdc_archive 'CCDC 2035607'
loop_
_audit_author_name
_audit_author_address
'Xue Min'
;Wuhan Textile University
China
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;
_audit_creation_date             2020-10-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H29.5 Co2 N2 O13 P4 Si, O'
_chemical_formula_sum            'C34 H29.50 Co2 N2 O14 P4 Si'
_chemical_formula_weight         959.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   25.3454(10)
_cell_length_b                   14.9757(6)
_cell_length_c                   21.3503(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.4900(10)
_cell_angle_gamma                90
_cell_volume                     7770.5(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6166
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.9885
_cell_measurement_theta_min      2.7275
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.119
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3900
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24152
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.071
_diffrn_reflns_theta_min         1.597
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5988
_reflns_number_total             7700
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         7700
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0401
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0571P)²+14.0342P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1063
_refine_ls_wR_factor_ref         0.1160
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28), C31(H31), C32(H32), C33(H33), C34(H34)
2.b Tetrahedral OH refined with riding coordinates:
 O1(H1), O4(H4), O11(H11A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.54540(12) 0.1283(2) 0.13747(14) 0.0247(6) Uani 1 1 d . . . . .
C2 C 0.56708(14) 0.0516(2) 0.17130(18) 0.0393(8) Uani 1 1 d . . . . .
H2 H 0.543323 0.008395 0.179004 0.047 Uiso 1 1 calc R U . . .
C3 C 0.62347(14) 0.0378(3) 0.19398(19) 0.0452(10) Uani 1 1 d . . . . .
H3 H 0.636817 -0.013911 0.217217 0.054 Uiso 1 1 calc R U . . .
C4 C 0.65989(13) 0.0994(2) 0.18257(15) 0.0311(7) Uani 1 1 d . . . . .
C5 C 0.63944(14) 0.1770(2) 0.14927(18) 0.0378(8) Uani 1 1 d . . . . .
H5 H 0.663362 0.219879 0.141434 0.045 Uiso 1 1 calc R U . . .
C6 C 0.58317(14) 0.1904(2) 0.12771(18) 0.0377(8) Uani 1 1 d . . . . .
H6 H 0.570009 0.243058 0.105753 0.045 Uiso 1 1 calc R U . . .
C7 C 0.44453(12) 0.2389(2) 0.14705(14) 0.0244(6) Uani 1 1 d . . . . .
C8 C 0.46590(14) 0.3247(2) 0.14997(18) 0.0374(8) Uani 1 1 d . . . . .
H8 H 0.493594 0.335864 0.130276 0.045 Uiso 1 1 calc R U . . .
C9 C 0.44777(14) 0.3935(2) 0.18071(17) 0.0366(8) Uani 1 1 d . . . . .
H9 H 0.463355 0.449925 0.181616 0.044 Uiso 1 1 calc R U . . .
C10 C 0.40650(12) 0.3800(2) 0.21044(14) 0.0256(7) Uani 1 1 d . . . . .
C11 C 0.38496(14) 0.2951(2) 0.20948(17) 0.0344(8) Uani 1 1 d . . . . .
H11 H 0.357686 0.284296 0.229906 0.041 Uiso 1 1 calc R U . . .
C12 C 0.40369(14) 0.2255(2) 0.17825(17) 0.0344(8) Uani 1 1 d . . . . .
H12 H 0.388672 0.168864 0.178155 0.041 Uiso 1 1 calc R U . . .
C13 C 0.46224(12) 0.1934(2) 0.01535(14) 0.0248(6) Uani 1 1 d . . . . .
C14 C 0.42095(13) 0.2514(2) -0.01786(15) 0.0330(8) Uani 1 1 d . . . . .
H14 H 0.398145 0.277703 0.004153 0.040 Uiso 1 1 calc R U . . .
C15 C 0.41325(14) 0.2706(2) -0.08373(16) 0.0344(8) Uani 1 1 d . . . . .
H15 H 0.385382 0.309485 -0.105234 0.041 Uiso 1 1 calc R U . . .
C16 C 0.44677(13) 0.2322(2) -0.11729(15) 0.0277(7) Uani 1 1 d . . . . .
C17 C 0.48826(15) 0.1761(3) -0.08433(16) 0.0391(9) Uani 1 1 d . . . . .
H17 H 0.511555 0.150889 -0.106163 0.047 Uiso 1 1 calc R U . . .
C18 C 0.49578(14) 0.1568(2) -0.01926(16) 0.0366(8) Uani 1 1 d . . . . .
H18 H 0.524011 0.118372 0.001959 0.044 Uiso 1 1 calc R U . . .
C19 C 0.42828(12) 0.0470(2) 0.09130(15) 0.0247(6) Uani 1 1 d . . . . .
C20 C 0.40199(14) 0.0130(2) 0.02897(16) 0.0331(7) Uani 1 1 d . . . . .
H20 H 0.405295 0.043764 -0.007554 0.040 Uiso 1 1 calc R U . . .
C21 C 0.37159(14) -0.0642(2) 0.02015(16) 0.0341(8) Uani 1 1 d . . . . .
H21 H 0.354871 -0.084824 -0.021898 0.041 Uiso 1 1 calc R U . . .
C22 C 0.36565(12) -0.1114(2) 0.07321(15) 0.0274(7) Uani 1 1 d . . . . .
C23 C 0.39078(13) -0.0785(2) 0.13608(15) 0.0310(7) Uani 1 1 d . . . . .
H23 H 0.386667 -0.108878 0.172378 0.037 Uiso 1 1 calc R U . . .
C24 C 0.42153(13) -0.0013(2) 0.14434(16) 0.0306(7) Uani 1 1 d . . . . .
H24 H 0.438255 0.019145 0.186428 0.037 Uiso 1 1 calc R U . . .
C25 C 0.22735(16) 0.5973(3) 0.4098(2) 0.0554(11) Uani 1 1 d . . . . .
H25 H 0.205999 0.607923 0.367249 0.066 Uiso 1 1 calc R U . . .
C26 C 0.21069(19) 0.6320(4) 0.4596(2) 0.0683(14) Uani 1 1 d . . . . .
H26 H 0.179464 0.667803 0.451276 0.082 Uiso 1 1 calc R U . . .
C27 C 0.2407(2) 0.6136(4) 0.5226(2) 0.0808(17) Uani 1 1 d . . . . .
H27 H 0.229230 0.634692 0.557559 0.097 Uiso 1 1 calc R U . . .
C28 C 0.2877(2) 0.5637(4) 0.5335(2) 0.0694(15) Uani 1 1 d . . . . .
H28 H 0.308707 0.550973 0.575926 0.083 Uiso 1 1 calc R U . . .
C29 C 0.30363(15) 0.5325(3) 0.48087(16) 0.0402(9) Uani 1 1 d . . . . .
C30 C 0.35496(15) 0.4823(2) 0.48691(16) 0.0360(8) Uani 1 1 d . . . . .
C31 C 0.39020(18) 0.4568(3) 0.54629(18) 0.0500(10) Uani 1 1 d . . . . .
H31 H 0.381505 0.469117 0.584888 0.060 Uiso 1 1 calc R U . . .
C32 C 0.43818(19) 0.4131(3) 0.54782(19) 0.0602(12) Uani 1 1 d . . . . .
H32 H 0.462152 0.394741 0.587307 0.072 Uiso 1 1 calc R U . . .
C33 C 0.45009(18) 0.3971(3) 0.4902(2) 0.0570(12) Uani 1 1 d . . . . .
H33 H 0.482903 0.369453 0.490011 0.068 Uiso 1 1 calc R U . . .
C34 C 0.41313(17) 0.4223(3) 0.43296(18) 0.0485(10) Uani 1 1 d . . . . .
H34 H 0.421200 0.409917 0.394001 0.058 Uiso 1 1 calc R U . . .
Co1 Co 0.33819(2) 0.66595(3) 0.18746(2) 0.02882(12) Uani 1 1 d . . . . .
Co2 Co 0.30187(2) 0.48827(3) 0.34481(2) 0.03131(13) Uani 1 1 d . . . . .
N1 N 0.27347(12) 0.5480(2) 0.41910(14) 0.0402(7) Uani 1 1 d . . . . .
N2 N 0.36590(12) 0.4640(2) 0.43022(13) 0.0353(7) Uani 1 1 d . . . . .
O1 O 0.73864(11) -0.01207(19) 0.17374(14) 0.0518(7) Uani 1 1 d . . . . .
H1 H 0.732253 -0.053449 0.195669 0.078 Uiso 1 1 calc R U . . .
O2 O 0.75322(11) 0.0709(2) 0.28032(12) 0.0575(8) Uani 1 1 d . . . . .
O3 O 0.76001(10) 0.1515(2) 0.18035(14) 0.0522(7) Uani 1 1 d . . . . .
O4 O 0.43448(10) 0.50676(16) 0.30316(11) 0.0392(6) Uani 1 1 d . . . . .
H4 H 0.442714 0.557336 0.294584 0.059 Uiso 1 1 calc R U . . .
O5 O 0.34036(9) 0.44234(16) 0.27869(11) 0.0366(6) Uani 1 1 d . . . . .
O6 O 0.36590(9) 0.54364(15) 0.19537(10) 0.0330(5) Uani 1 1 d . . . . .
O7 O 0.47060(10) 0.33387(15) -0.21086(11) 0.0351(5) Uani 1 1 d . . . . .
O8 O 0.37541(9) 0.26706(18) -0.23254(11) 0.0425(6) Uani 1 1 d . . . . .
O9 O 0.45797(10) 0.16914(16) -0.23036(11) 0.0379(6) Uani 1 1 d . . . . .
O10 O 0.26823(10) -0.18714(18) 0.06758(12) 0.0440(6) Uani 1 1 d . . . . .
O11 O 0.32400(10) -0.24687(17) -0.00466(11) 0.0390(6) Uani 1 1 d . . . . .
H11A H 0.293425 -0.267290 -0.022614 0.058 Uiso 1 1 calc R U . . .
O12 O 0.35532(11) -0.27608(17) 0.11586(12) 0.0440(6) Uani 1 1 d . . . . .
O13 O 0.25652(17) 0.3787(3) 0.33400(19) 0.0697(11) Uani 1 1 d . . . . .
O1W O 0.22492(18) 0.2972(3) 0.2069(2) 0.1049(14) Uani 1 1 d . . . . .
P1 P 0.73267(3) 0.07905(7) 0.20759(4) 0.0358(2) Uani 1 1 d . . . . .
P2 P 0.38321(3) 0.47337(6) 0.24757(4) 0.02656(19) Uani 1 1 d . . . . .
P3 P 0.43641(3) 0.25079(6) -0.20328(4) 0.0291(2) Uani 1 1 d . . . . .
P4 P 0.32531(4) -0.21143(6) 0.06410(4) 0.0305(2) Uani 1 1 d . . . . .
Si1 Si 0.47000(3) 0.15104(5) 0.10026(4) 0.02178(18) Uani 1 1 d . . . . .
H13A H 0.2484(17) 0.359(3) 0.364(2) 0.048(13) Uiso 1 1 d . . . . .
H13B H 0.255(2) 0.345(4) 0.308(3) 0.08(2) Uiso 1 1 d . . . . .
H7 H 0.500000 0.325(7) -0.250000 0.16(4) Uiso 1 2 d S . P . .


_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 1.385(5) . ?
C1 C6 1.391(5) . ?
C1 Si1 1.881(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.388(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.375(5) . ?
C4 C5 1.384(5) . ?
C4 P1 1.795(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.383(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(4) . ?
C7 C12 1.395(4) . ?
C7 Si1 1.874(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.369(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(4) . ?
C10 C11 1.383(5) . ?
C10 P2 1.788(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.391(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.389(4) . ?
C13 C18 1.388(4) . ?
C13 Si1 1.878(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.394(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.383(4) . ?
C16 C17 1.373(5) . ?
C16 P3 1.801(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.404(4) . ?
C19 C24 1.394(4) . ?
C19 Si1 1.863(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.372(5) . ?
C21 H21 0.9300 . ?
C21 C22 1.380(4) . ?
C22 C23 1.402(4) . ?
C22 P4 1.792(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.377(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C25 C26 1.354(6) . ?
C25 N1 1.349(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.372(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.370(7) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(5) . ?
C29 C30 1.476(5) . ?
C29 N1 1.343(4) . ?
C30 C31 1.381(5) . ?
C30 N2 1.344(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.373(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.369(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.365(5) . ?
C34 H34 0.9300 . ?
C34 N2 1.336(5) . ?
Co1 O3 1.956(2) 3_455 ?
Co1 O6 1.952(2) . ?
Co1 O8 1.975(2) 6_566 ?
Co1 O12 1.912(2) 1_565 ?
Co2 N1 2.117(3) . ?
Co2 N2 2.100(3) . ?
Co2 O2 1.996(3) 3_455 ?
Co2 O5 2.049(2) . ?
Co2 O13 1.979(4) . ?
O1 H1 0.8200 . ?
O1 P1 1.571(3) . ?
O2 P1 1.496(3) . ?
O3 P1 1.492(3) . ?
O4 H4 0.8200 . ?
O4 P2 1.572(2) . ?
O5 P2 1.499(2) . ?
O6 P2 1.505(2) . ?
O7 P3 1.551(2) . ?
O7 H7 1.274(11) . ?
O8 P3 1.514(2) . ?
O9 P3 1.519(2) . ?
O10 P4 1.514(3) . ?
O11 H11A 0.8200 . ?
O11 P4 1.552(2) . ?
O12 P4 1.503(3) . ?
O13 H13A 0.78(5) . ?
O13 H13B 0.74(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 116.4(3) . . ?
C2 C1 Si1 125.1(2) . . ?
C6 C1 Si1 118.4(2) . . ?
C1 C2 H2 119.3 . . ?
C1 C2 C3 121.5(3) . . ?
C3 C2 H2 119.3 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(3) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 118.8(3) . . ?
C3 C4 P1 121.2(3) . . ?
C5 C4 P1 119.9(3) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 H6 118.6 . . ?
C5 C6 C1 122.8(3) . . ?
C5 C6 H6 118.6 . . ?
C8 C7 C12 116.4(3) . . ?
C8 C7 Si1 119.0(2) . . ?
C12 C7 Si1 124.6(2) . . ?
C7 C8 H8 118.7 . . ?
C9 C8 C7 122.6(3) . . ?
C9 C8 H8 118.7 . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.7(3) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 P2 118.5(2) . . ?
C11 C10 C9 118.3(3) . . ?
C11 C10 P2 123.2(2) . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.6(3) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 H12 119.3 . . ?
C11 C12 C7 121.5(3) . . ?
C11 C12 H12 119.3 . . ?
C14 C13 Si1 124.1(2) . . ?
C18 C13 C14 117.5(3) . . ?
C18 C13 Si1 117.9(2) . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.9(3) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 P3 122.1(2) . . ?
C17 C16 C15 118.8(3) . . ?
C17 C16 P3 119.1(2) . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 119.2 . . ?
C17 C18 C13 121.6(3) . . ?
C17 C18 H18 119.2 . . ?
C20 C19 Si1 120.2(2) . . ?
C24 C19 C20 116.6(3) . . ?
C24 C19 Si1 123.2(2) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 C19 122.2(3) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.5(3) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 C23 118.7(3) . . ?
C21 C22 P4 122.1(2) . . ?
C23 C22 P4 119.2(2) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.8 . . ?
C19 C24 H24 119.1 . . ?
C23 C24 C19 121.8(3) . . ?
C23 C24 H24 119.1 . . ?
C26 C25 H25 118.5 . . ?
N1 C25 H25 118.5 . . ?
N1 C25 C26 123.0(4) . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.8(4) . . ?
C27 C26 H26 120.6 . . ?
C26 C27 H27 120.3 . . ?
C28 C27 C26 119.4(4) . . ?
C28 C27 H27 120.3 . . ?
C27 C28 H28 120.4 . . ?
C27 C28 C29 119.2(4) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 C30 123.7(3) . . ?
N1 C29 C28 121.7(4) . . ?
N1 C29 C30 114.5(3) . . ?
C31 C30 C29 123.0(3) . . ?
N2 C30 C29 115.3(3) . . ?
N2 C30 C31 121.7(3) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 C30 119.4(4) . . ?
C32 C31 H31 120.3 . . ?
C31 C32 H32 120.6 . . ?
C33 C32 C31 118.8(4) . . ?
C33 C32 H32 120.6 . . ?
C32 C33 H33 120.5 . . ?
C34 C33 C32 119.1(4) . . ?
C34 C33 H33 120.5 . . ?
C33 C34 H34 118.4 . . ?
N2 C34 C33 123.2(4) . . ?
N2 C34 H34 118.4 . . ?
O3 Co1 O8 110.36(12) 3_455 6_566 ?
O6 Co1 O3 103.59(11) . 3_455 ?
O6 Co1 O8 109.28(10) . 6_566 ?
O12 Co1 O3 116.29(11) 1_565 3_455 ?
O12 Co1 O6 109.73(10) 1_565 . ?
O12 Co1 O8 107.44(11) 1_565 6_566 ?
N2 Co2 N1 76.46(11) . . ?
O2 Co2 N1 88.86(11) 3_455 . ?
O2 Co2 N2 151.65(13) 3_455 . ?
O2 Co2 O5 93.13(10) 3_455 . ?
O5 Co2 N1 170.93(11) . . ?
O5 Co2 N2 97.96(10) . . ?
O13 Co2 N1 97.34(15) . . ?
O13 Co2 N2 103.75(15) . . ?
O13 Co2 O2 102.07(16) . 3_455 ?
O13 Co2 O5 90.90(14) . . ?
C25 N1 Co2 125.9(3) . . ?
C29 N1 C25 117.8(3) . . ?
C29 N1 Co2 116.3(2) . . ?
C30 N2 Co2 116.1(2) . . ?
C34 N2 C30 117.8(3) . . ?
C34 N2 Co2 125.5(2) . . ?
P1 O1 H1 109.5 . . ?
P1 O2 Co2 136.99(19) . 3_545 ?
P1 O3 Co1 128.49(16) . 3_545 ?
P2 O4 H4 109.5 . . ?
P2 O5 Co2 138.40(15) . . ?
P2 O6 Co1 137.94(14) . . ?
P3 O7 H7 116(4) . . ?
P3 O8 Co1 128.32(14) . 6_565 ?
P4 O11 H11A 109.5 . . ?
P4 O12 Co1 134.26(17) . 1_545 ?
Co2 O13 H13A 120(3) . . ?
Co2 O13 H13B 123(4) . . ?
H13A O13 H13B 113(5) . . ?
O1 P1 C4 103.64(16) . . ?
O2 P1 C4 110.38(15) . . ?
O2 P1 O1 110.86(17) . . ?
O3 P1 C4 108.18(15) . . ?
O3 P1 O1 109.67(17) . . ?
O3 P1 O2 113.61(18) . . ?
O4 P2 C10 106.09(14) . . ?
O5 P2 C10 109.04(14) . . ?
O5 P2 O4 108.15(14) . . ?
O5 P2 O6 116.72(14) . . ?
O6 P2 C10 106.37(14) . . ?
O6 P2 O4 109.97(14) . . ?
O7 P3 C16 107.86(14) . . ?
O8 P3 C16 106.38(14) . . ?
O8 P3 O7 111.29(14) . . ?
O8 P3 O9 114.08(15) . . ?
O9 P3 C16 107.42(14) . . ?
O9 P3 O7 109.51(13) . . ?
O10 P4 C22 108.51(15) . . ?
O10 P4 O11 111.36(14) . . ?
O11 P4 C22 104.29(14) . . ?
O12 P4 C22 107.72(15) . . ?
O12 P4 O10 114.19(15) . . ?
O12 P4 O11 110.22(15) . . ?
C7 Si1 C1 111.36(13) . . ?
C7 Si1 C13 108.64(13) . . ?
C13 Si1 C1 106.52(13) . . ?
C19 Si1 C1 111.79(14) . . ?
C19 Si1 C7 111.78(13) . . ?
C19 Si1 C13 106.43(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -1.1(6) . . . . ?
C2 C1 C6 C5 1.0(5) . . . . ?
C2 C1 Si1 C7 108.4(3) . . . . ?
C2 C1 Si1 C13 -133.3(3) . . . . ?
C2 C1 Si1 C19 -17.4(3) . . . . ?
C2 C3 C4 C5 1.5(6) . . . . ?
C2 C3 C4 P1 -176.3(3) . . . . ?
C3 C4 C5 C6 -0.7(5) . . . . ?
C3 C4 P1 O1 55.9(3) . . . . ?
C3 C4 P1 O2 -62.9(4) . . . . ?
C3 C4 P1 O3 172.2(3) . . . . ?
C4 C5 C6 C1 -0.6(6) . . . . ?
C5 C4 P1 O1 -122.0(3) . . . . ?
C5 C4 P1 O2 119.3(3) . . . . ?
C5 C4 P1 O3 -5.6(3) . . . . ?
C6 C1 C2 C3 -0.1(5) . . . . ?
C6 C1 Si1 C7 -75.4(3) . . . . ?
C6 C1 Si1 C13 42.9(3) . . . . ?
C6 C1 Si1 C19 158.8(3) . . . . ?
C7 C8 C9 C10 -0.2(6) . . . . ?
C8 C7 C12 C11 1.1(5) . . . . ?
C8 C7 Si1 C1 63.4(3) . . . . ?
C8 C7 Si1 C13 -53.6(3) . . . . ?
C8 C7 Si1 C19 -170.8(3) . . . . ?
C8 C9 C10 C11 1.4(5) . . . . ?
C8 C9 C10 P2 -178.1(3) . . . . ?
C9 C10 C11 C12 -1.2(5) . . . . ?
C9 C10 P2 O4 -61.5(3) . . . . ?
C9 C10 P2 O5 -177.8(3) . . . . ?
C9 C10 P2 O6 55.6(3) . . . . ?
C10 C11 C12 C7 0.0(5) . . . . ?
C11 C10 P2 O4 119.1(3) . . . . ?
C11 C10 P2 O5 2.8(3) . . . . ?
C11 C10 P2 O6 -123.9(3) . . . . ?
C12 C7 C8 C9 -1.0(5) . . . . ?
C12 C7 Si1 C1 -118.7(3) . . . . ?
C12 C7 Si1 C13 124.3(3) . . . . ?
C12 C7 Si1 C19 7.2(3) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C14 C13 C18 C17 -0.7(5) . . . . ?
C14 C13 Si1 C1 -151.4(3) . . . . ?
C14 C13 Si1 C7 -31.4(3) . . . . ?
C14 C13 Si1 C19 89.2(3) . . . . ?
C14 C15 C16 C17 -1.1(5) . . . . ?
C14 C15 C16 P3 177.0(3) . . . . ?
C15 C16 C17 C18 1.3(6) . . . . ?
C15 C16 P3 O7 90.1(3) . . . . ?
C15 C16 P3 O8 -29.4(3) . . . . ?
C15 C16 P3 O9 -151.9(3) . . . . ?
C16 C17 C18 C13 -0.4(6) . . . . ?
C17 C16 P3 O7 -91.8(3) . . . . ?
C17 C16 P3 O8 148.7(3) . . . . ?
C17 C16 P3 O9 26.2(3) . . . . ?
C18 C13 C14 C15 1.0(5) . . . . ?
C18 C13 Si1 C1 36.3(3) . . . . ?
C18 C13 Si1 C7 156.4(3) . . . . ?
C18 C13 Si1 C19 -83.1(3) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C20 C19 C24 C23 0.1(5) . . . . ?
C20 C19 Si1 C1 -111.9(3) . . . . ?
C20 C19 Si1 C7 122.4(3) . . . . ?
C20 C19 Si1 C13 4.0(3) . . . . ?
C20 C21 C22 C23 0.6(5) . . . . ?
C20 C21 C22 P4 178.8(3) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
C21 C22 P4 O10 -95.5(3) . . . . ?
C21 C22 P4 O11 23.3(3) . . . . ?
C21 C22 P4 O12 140.4(3) . . . . ?
C22 C23 C24 C19 0.7(5) . . . . ?
C23 C22 P4 O10 82.7(3) . . . . ?
C23 C22 P4 O11 -158.5(3) . . . . ?
C23 C22 P4 O12 -41.4(3) . . . . ?
C24 C19 C20 C21 -0.6(5) . . . . ?
C24 C19 Si1 C1 67.6(3) . . . . ?
C24 C19 Si1 C7 -58.0(3) . . . . ?
C24 C19 Si1 C13 -176.5(3) . . . . ?
C25 C26 C27 C28 2.6(9) . . . . ?
C26 C25 N1 C29 0.6(7) . . . . ?
C26 C25 N1 Co2 178.4(4) . . . . ?
C26 C27 C28 C29 -0.5(9) . . . . ?
C27 C28 C29 C30 176.7(5) . . . . ?
C27 C28 C29 N1 -1.6(8) . . . . ?
C28 C29 C30 C31 4.3(7) . . . . ?
C28 C29 C30 N2 -174.5(4) . . . . ?
C28 C29 N1 C25 1.6(6) . . . . ?
C28 C29 N1 Co2 -176.4(4) . . . . ?
C29 C30 C31 C32 -177.6(4) . . . . ?
C29 C30 N2 C34 176.9(4) . . . . ?
C29 C30 N2 Co2 -11.1(4) . . . . ?
C30 C29 N1 C25 -176.8(4) . . . . ?
C30 C29 N1 Co2 5.1(4) . . . . ?
C30 C31 C32 C33 0.9(7) . . . . ?
C31 C30 N2 C34 -2.0(6) . . . . ?
C31 C30 N2 Co2 170.0(3) . . . . ?
C31 C32 C33 C34 -2.2(7) . . . . ?
C32 C33 C34 N2 1.5(7) . . . . ?
C33 C34 N2 C30 0.6(6) . . . . ?
C33 C34 N2 Co2 -170.5(3) . . . . ?
Co1 O3 P1 C4 -177.9(2) 3_545 . . . ?
Co1 O3 P1 O1 -65.5(3) 3_545 . . . ?
Co1 O3 P1 O2 59.2(3) 3_545 . . . ?
Co1 O6 P2 C10 -177.4(2) . . . . ?
Co1 O6 P2 O4 -62.9(3) . . . . ?
Co1 O6 P2 O5 60.7(3) . . . . ?
Co1 O8 P3 C16 154.81(19) 6_565 . . . ?
Co1 O8 P3 O7 37.6(2) 6_565 . . . ?
Co1 O8 P3 O9 -86.9(2) 6_565 . . . ?
Co1 O12 P4 C22 119.1(2) 1_545 . . . ?
Co1 O12 P4 O10 -1.5(3) 1_545 . . . ?
Co1 O12 P4 O11 -127.7(2) 1_545 . . . ?
Co2 O2 P1 C4 133.2(3) 3_545 . . . ?
Co2 O2 P1 O1 18.9(3) 3_545 . . . ?
Co2 O2 P1 O3 -105.1(3) 3_545 . . . ?
Co2 O5 P2 C10 164.8(2) . . . . ?
Co2 O5 P2 O4 49.9(3) . . . . ?
Co2 O5 P2 O6 -74.7(3) . . . . ?
N1 C25 C26 C27 -2.7(8) . . . . ?
N1 C29 C30 C31 -177.3(4) . . . . ?
N1 C29 C30 N2 3.9(5) . . . . ?
N2 C30 C31 C32 1.2(6) . . . . ?
P1 C4 C5 C6 177.2(3) . . . . ?
P2 C10 C11 C12 178.2(3) . . . . ?
P3 C16 C17 C18 -176.8(3) . . . . ?
P4 C22 C23 C24 -179.4(3) . . . . ?
Si1 C1 C2 C3 176.2(3) . . . . ?
Si1 C1 C6 C5 -175.6(3) . . . . ?
Si1 C7 C8 C9 177.1(3) . . . . ?
Si1 C7 C12 C11 -176.9(3) . . . . ?
Si1 C13 C14 C15 -171.3(3) . . . . ?
Si1 C13 C18 C17 172.0(3) . . . . ?
Si1 C19 C20 C21 179.0(3) . . . . ?
Si1 C19 C24 C23 -179.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2035609'
loop_
_audit_author_name
_audit_author_address
'Xue Min'
;Wuhan Textile University
China
;
_audit_update_record             
;
2020-10-06 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;
_audit_creation_date             2020-10-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H42 Co2 N4 O15 P4 Si'
_chemical_formula_sum            'C44 H42 Co2 N4 O15 P4 Si'
_chemical_formula_weight         1136.64
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.6830(9)
_cell_length_b                   14.9714(10)
_cell_length_c                   15.0532(10)
_cell_angle_alpha                61.5090(10)
_cell_angle_beta                 68.1250(10)
_cell_angle_gamma                64.2240(10)
_cell_volume                     2386.9(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4600
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.9325
_cell_measurement_theta_min      2.6525
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.927
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1164
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0231
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15202
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.123
_diffrn_reflns_theta_min         1.631
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7606
_reflns_number_total             9438
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.456
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         9438
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0509P)²+0.5100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1039
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C20(H20), C21(H21), C2(H2A), C5(H5), C15(H15), C23(H23), C17(H17),
 C14(H14), C18(H18), C34(H34), C28(H28), C11(H11), C24(H24), C6(H6A), C31(H31),
 C44(H44), C37(H37), C33(H33), C9(H9), C12(H12), C27(H27), C25(H25), C32(H32),
 C42(H42), C26(H26), C35(H35), C8(H8A), C41(H41), C43(H43), C36(H36), C38(H38)
2.b Tetrahedral OH refined with riding coordinates:
 O8(H8), O6(H6), O2(H2), O11(H11A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Co1 Co 0.72477(3) -0.07139(3) 0.45137(3) 0.02524(10) Uani 1 1 d . . . . .
Co2 Co -0.09340(3) 0.44661(3) 0.16113(3) 0.02759(10) Uani 1 1 d . . . . .
Si1 Si 0.38448(5) -0.16274(6) 0.11637(6) 0.02320(16) Uani 1 1 d . . . . .
P3 P 0.63421(5) -0.24708(6) 0.45276(6) 0.02639(16) Uani 1 1 d . . . . .
P4 P 0.68907(6) -0.22541(6) -0.30797(5) 0.02723(16) Uani 1 1 d . . . . .
P2 P 0.01660(6) -0.41117(6) 0.33382(6) 0.02858(17) Uani 1 1 d . . . . .
P1 P 0.05552(6) 0.32485(5) 0.00147(6) 0.02744(16) Uani 1 1 d . . . . .
O12 O 0.64884(14) -0.12060(14) -0.39437(14) 0.0287(4) Uani 1 1 d . . . . .
O9 O 0.68340(15) -0.15963(15) 0.41181(15) 0.0335(4) Uani 1 1 d . . . . .
O1 O -0.01033(15) 0.33317(15) 0.10379(16) 0.0349(5) Uani 1 1 d . . . . .
O5 O -0.06590(15) -0.36918(15) 0.41558(16) 0.0351(5) Uani 1 1 d . . . . .
O15 O 0.04696(18) 0.4281(2) 0.19842(19) 0.0424(5) Uani 1 1 d . . . . .
O7 O 0.54713(15) -0.25515(16) 0.55096(15) 0.0346(5) Uani 1 1 d . . . . .
O14 O 0.57660(18) 0.06383(18) 0.41576(18) 0.0363(5) Uani 1 1 d . . . . .
N2 N 0.80568(17) -0.00367(18) 0.29419(18) 0.0297(5) Uani 1 1 d . . . . .
O3 O 0.11736(16) 0.40339(14) -0.06806(17) 0.0381(5) Uani 1 1 d . . . . .
O13 O 0.88297(18) -0.19818(18) 0.4827(2) 0.0357(5) Uani 1 1 d . . . . .
O8 O 0.72483(15) -0.35914(15) 0.47092(16) 0.0369(5) Uani 1 1 d . . . . .
H8 H 0.786461 -0.351869 0.450582 0.055 Uiso 1 1 calc R U . . .
O4 O -0.02917(18) -0.39383(18) 0.24902(17) 0.0440(5) Uani 1 1 d . . . . .
N1 N 0.79116(19) 0.03110(18) 0.45642(19) 0.0329(5) Uani 1 1 d . . . . .
O6 O 0.07337(16) -0.53442(15) 0.38414(16) 0.0386(5) Uani 1 1 d . . . . .
H6 H 0.063760 -0.552137 0.446622 0.058 Uiso 1 1 calc R U . . .
O2 O -0.02493(16) 0.32749(15) -0.05182(16) 0.0373(5) Uani 1 1 d . . . . .
H2 H -0.002212 0.349564 -0.114651 0.056 Uiso 1 1 calc R U . . .
C10 C 0.1237(2) -0.3493(2) 0.2780(2) 0.0286(6) Uani 1 1 d . . . . .
C19 C 0.4768(2) -0.1951(2) 0.0017(2) 0.0241(5) Uani 1 1 d . . . . .
C1 C 0.2994(2) -0.0181(2) 0.0752(2) 0.0256(6) Uani 1 1 d . . . . .
C22 C 0.6076(2) -0.2152(2) -0.1865(2) 0.0266(6) Uani 1 1 d . . . . .
N4 N -0.1937(2) 0.41711(19) 0.3085(2) 0.0393(6) Uani 1 1 d . . . . .
C3 C 0.2236(2) 0.1564(2) -0.0496(2) 0.0321(6) Uani 1 1 d . . . . .
H3 H 0.222057 0.201937 -0.118304 0.038 Uiso 1 1 calc R U . . .
C13 C 0.4656(2) -0.1887(2) 0.2072(2) 0.0250(6) Uani 1 1 d . . . . .
C16 C 0.5746(2) -0.2265(2) 0.3542(2) 0.0259(6) Uani 1 1 d . . . . .
C7 C 0.2817(2) -0.2394(2) 0.1821(2) 0.0272(6) Uani 1 1 d . . . . .
C4 C 0.1537(2) 0.1930(2) 0.0285(2) 0.0259(6) Uani 1 1 d . . . . .
C20 C 0.5913(2) -0.2219(2) -0.0193(2) 0.0337(7) Uani 1 1 d . . . . .
H20 H 0.625602 -0.232768 0.029612 0.040 Uiso 1 1 calc R U . . .
C21 C 0.6553(2) -0.2327(2) -0.1116(2) 0.0346(7) Uani 1 1 d . . . . .
H21 H 0.732070 -0.252155 -0.123229 0.042 Uiso 1 1 calc R U . . .
C2 C 0.2954(2) 0.0529(2) -0.0264(2) 0.0303(6) Uani 1 1 d . . . . .
H2A H 0.342133 0.030000 -0.079937 0.036 Uiso 1 1 calc R U . . .
C30 C 0.8440(2) 0.0744(2) 0.2741(2) 0.0312(6) Uani 1 1 d . . . . .
C5 C 0.1591(2) 0.1248(2) 0.1298(2) 0.0339(7) Uani 1 1 d . . . . .
H5 H 0.114646 0.148923 0.183047 0.041 Uiso 1 1 calc R U . . .
C29 C 0.8455(2) 0.0863(2) 0.3652(2) 0.0330(7) Uani 1 1 d . . . . .
C40 C -0.2881(3) 0.4004(2) 0.3222(3) 0.0429(8) Uani 1 1 d . . . . .
N3 N -0.24186(19) 0.4496(2) 0.1407(2) 0.0385(6) Uani 1 1 d . . . . .
C15 C 0.5847(2) -0.3089(2) 0.3298(2) 0.0365(7) Uani 1 1 d . . . . .
H15 H 0.628547 -0.377996 0.362184 0.044 Uiso 1 1 calc R U . . .
C23 C 0.4930(2) -0.1909(3) -0.1653(2) 0.0396(7) Uani 1 1 d . . . . .
H23 H 0.458831 -0.180133 -0.214225 0.047 Uiso 1 1 calc R U . . .
C17 C 0.5142(3) -0.1240(2) 0.3000(3) 0.0403(7) Uani 1 1 d . . . . .
H17 H 0.508988 -0.066693 0.312376 0.048 Uiso 1 1 calc R U . . .
C14 C 0.5309(2) -0.2900(2) 0.2584(2) 0.0347(7) Uani 1 1 d . . . . .
H14 H 0.538616 -0.347089 0.244261 0.042 Uiso 1 1 calc R U . . .
C18 C 0.4614(3) -0.1054(2) 0.2275(3) 0.0396(7) Uani 1 1 d . . . . .
H18 H 0.422011 -0.035557 0.191467 0.048 Uiso 1 1 calc R U . . .
C34 C 0.8104(2) -0.0251(2) 0.2168(2) 0.0373(7) Uani 1 1 d . . . . .
H34 H 0.783944 -0.079326 0.231222 0.045 Uiso 1 1 calc R U . . .
C28 C 0.9042(3) 0.1451(2) 0.3603(3) 0.0434(8) Uani 1 1 d . . . . .
H28 H 0.939576 0.184572 0.296653 0.052 Uiso 1 1 calc R U . . .
C11 C 0.2355(2) -0.4039(2) 0.2654(3) 0.0470(9) Uani 1 1 d . . . . .
H11 H 0.259866 -0.478283 0.289023 0.056 Uiso 1 1 calc R U . . .
C24 C 0.4301(2) -0.1827(3) -0.0726(2) 0.0383(7) Uani 1 1 d . . . . .
H24 H 0.353903 -0.168486 -0.059080 0.046 Uiso 1 1 calc R U . . .
C39 C -0.3137(2) 0.4155(2) 0.2286(3) 0.0424(8) Uani 1 1 d . . . . .
C6 C 0.2301(2) 0.0211(2) 0.1525(2) 0.0367(7) Uani 1 1 d . . . . .
H6A H 0.231784 -0.023950 0.221214 0.044 Uiso 1 1 calc R U . . .
C31 C 0.8813(3) 0.1371(3) 0.1731(3) 0.0486(8) Uani 1 1 d . . . . .
H31 H 0.902731 0.194170 0.159693 0.058 Uiso 1 1 calc R U . . .
C44 C -0.1674(3) 0.4102(3) 0.3892(3) 0.0521(9) Uani 1 1 d . . . . .
H44 H -0.102172 0.422384 0.378792 0.063 Uiso 1 1 calc R U . . .
C37 C -0.4224(3) 0.4174(4) 0.1365(4) 0.0787(14) Uani 1 1 d . . . . .
H37 H -0.483183 0.406064 0.134739 0.094 Uiso 1 1 calc R U . . .
C33 C 0.8530(3) 0.0300(3) 0.1153(3) 0.0465(8) Uani 1 1 d . . . . .
H33 H 0.859041 0.010781 0.062677 0.056 Uiso 1 1 calc R U . . .
C9 C 0.0920(3) -0.2399(3) 0.2438(3) 0.0620(12) Uani 1 1 d . . . . .
H9 H 0.016825 -0.201262 0.253088 0.074 Uiso 1 1 calc R U . . .
C12 C 0.3121(2) -0.3488(2) 0.2177(3) 0.0482(9) Uani 1 1 d . . . . .
H12 H 0.387223 -0.387617 0.209498 0.058 Uiso 1 1 calc R U . . .
C27 C 0.9096(3) 0.1446(3) 0.4497(3) 0.0532(9) Uani 1 1 d . . . . .
H27 H 0.951194 0.181237 0.447546 0.064 Uiso 1 1 calc R U . . .
C25 C 0.7943(3) 0.0341(3) 0.5420(3) 0.0497(9) Uani 1 1 d . . . . .
H25 H 0.755379 -0.002730 0.604835 0.060 Uiso 1 1 calc R U . . .
C32 C 0.8862(3) 0.1139(3) 0.0938(3) 0.0542(9) Uani 1 1 d . . . . .
H32 H 0.911880 0.154478 0.025792 0.065 Uiso 1 1 calc R U . . .
C42 C -0.3284(4) 0.3660(4) 0.5017(4) 0.0825(14) Uani 1 1 d . . . . .
H42 H -0.373948 0.348306 0.567040 0.099 Uiso 1 1 calc R U . . .
C26 C 0.8534(3) 0.0898(3) 0.5417(3) 0.0616(10) Uani 1 1 d . . . . .
H26 H 0.854457 0.089677 0.603137 0.074 Uiso 1 1 calc R U . . .
C35 C -0.2600(3) 0.4694(3) 0.0513(3) 0.0556(9) Uani 1 1 d . . . . .
H35 H -0.210687 0.494155 -0.009538 0.067 Uiso 1 1 calc R U . . .
C8 C 0.1687(2) -0.1857(3) 0.1961(3) 0.0592(11) Uani 1 1 d . . . . .
H8A H 0.144022 -0.111369 0.172763 0.071 Uiso 1 1 calc R U . . .
C41 C -0.3559(3) 0.3727(3) 0.4195(3) 0.0668(11) Uani 1 1 d . . . . .
H41 H -0.419688 0.358670 0.428975 0.080 Uiso 1 1 calc R U . . .
C43 C -0.2330(4) 0.3857(3) 0.4871(3) 0.0727(12) Uani 1 1 d . . . . .
H43 H -0.213455 0.382637 0.541690 0.087 Uiso 1 1 calc R U . . .
C36 C -0.3498(3) 0.4544(4) 0.0463(4) 0.0769(13) Uani 1 1 d . . . . .
H36 H -0.361274 0.469023 -0.017018 0.092 Uiso 1 1 calc R U . . .
C38 C -0.4048(3) 0.3977(3) 0.2282(4) 0.0657(11) Uani 1 1 d . . . . .
H38 H -0.453157 0.372543 0.289753 0.079 Uiso 1 1 calc R U . . .
O11 O 0.66100(18) -0.31542(15) -0.31000(16) 0.0416(5) Uani 1 1 d . . . . .
H11A H 0.625962 -0.289327 -0.355221 0.062 Uiso 1 1 calc R U . . .
O10 O 0.80937(15) -0.25916(16) -0.30835(16) 0.0385(5) Uani 1 1 d . . . . .
H14A H 0.553(3) 0.125(3) 0.422(3) 0.046(10) Uiso 1 1 d . . . . .
H13A H 0.899(3) -0.242(3) 0.459(3) 0.053(12) Uiso 1 1 d . . . . .
H15A H 0.036(4) 0.475(4) 0.224(4) 0.096(16) Uiso 1 1 d . . . . .
H14B H 0.531(3) 0.057(3) 0.409(3) 0.056(13) Uiso 1 1 d . . . . .
H15B H 0.092(5) 0.371(5) 0.232(5) 0.14(2) Uiso 1 1 d . . . . .
H13B H 0.875(4) -0.222(3) 0.541(4) 0.074(16) Uiso 1 1 d . . . . .


_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
Co1 O12 2.0616(18) 1_556 ?
Co1 O9 2.0179(18) . ?
Co1 O14 2.168(2) . ?
Co1 N2 2.142(2) . ?
Co1 O13 2.201(2) . ?
Co1 N1 2.136(2) . ?
Co2 O1 1.9774(18) . ?
Co2 O15 2.067(2) . ?
Co2 O3 1.9529(19) 2_565 ?
Co2 N4 2.079(3) . ?
Co2 N3 2.144(2) . ?
Si1 C19 1.858(3) . ?
Si1 C1 1.870(3) . ?
Si1 C13 1.871(3) . ?
Si1 C7 1.886(3) . ?
P3 O9 1.4948(19) . ?
P3 O7 1.504(2) . ?
P3 O8 1.560(2) . ?
P3 C16 1.792(3) . ?
P4 O12 1.5140(19) . ?
P4 C22 1.792(3) . ?
P4 O11 1.569(2) . ?
P4 O10 1.496(2) . ?
P2 O5 1.507(2) . ?
P2 O4 1.493(2) . ?
P2 O6 1.562(2) . ?
P2 C10 1.798(3) . ?
P1 O1 1.500(2) . ?
P1 O3 1.492(2) . ?
P1 O2 1.564(2) . ?
P1 C4 1.790(3) . ?
O15 H15A 0.89(5) . ?
O15 H15B 0.85(6) . ?
O14 H14A 0.86(3) . ?
O14 H14B 0.72(4) . ?
N2 C30 1.345(3) . ?
N2 C34 1.322(4) . ?
O13 H13A 0.81(4) . ?
O13 H13B 0.75(5) . ?
O8 H8 0.8200 . ?
N1 C29 1.346(4) . ?
N1 C25 1.327(4) . ?
O6 H6 0.8200 . ?
O2 H2 0.8200 . ?
C10 C11 1.374(4) . ?
C10 C9 1.371(4) . ?
C19 C20 1.386(4) . ?
C19 C24 1.387(4) . ?
C1 C2 1.390(4) . ?
C1 C6 1.393(4) . ?
C22 C21 1.372(4) . ?
C22 C23 1.391(4) . ?
N4 C40 1.344(4) . ?
N4 C44 1.338(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.386(4) . ?
C3 C2 1.380(4) . ?
C13 C14 1.383(4) . ?
C13 C18 1.393(4) . ?
C16 C15 1.385(4) . ?
C16 C17 1.382(4) . ?
C7 C12 1.370(4) . ?
C7 C8 1.386(4) . ?
C4 C5 1.380(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(4) . ?
C21 H21 0.9300 . ?
C2 H2A 0.9300 . ?
C30 C29 1.473(4) . ?
C30 C31 1.389(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.378(4) . ?
C29 C28 1.390(4) . ?
C40 C39 1.468(5) . ?
C40 C41 1.386(5) . ?
N3 C39 1.342(4) . ?
N3 C35 1.328(4) . ?
C15 H15 0.9300 . ?
C15 C14 1.377(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.370(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.383(4) . ?
C14 H14 0.9300 . ?
C18 H18 0.9300 . ?
C34 H34 0.9300 . ?
C34 C33 1.381(4) . ?
C28 H28 0.9300 . ?
C28 C27 1.373(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(4) . ?
C24 H24 0.9300 . ?
C39 C38 1.387(5) . ?
C6 H6A 0.9300 . ?
C31 H31 0.9300 . ?
C31 C32 1.367(5) . ?
C44 H44 0.9300 . ?
C44 C43 1.377(5) . ?
C37 H37 0.9300 . ?
C37 C36 1.376(6) . ?
C37 C38 1.359(6) . ?
C33 H33 0.9300 . ?
C33 C32 1.374(5) . ?
C9 H9 0.9300 . ?
C9 C8 1.377(4) . ?
C12 H12 0.9300 . ?
C27 H27 0.9300 . ?
C27 C26 1.362(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.388(5) . ?
C32 H32 0.9300 . ?
C42 H42 0.9300 . ?
C42 C41 1.371(6) . ?
C42 C43 1.378(6) . ?
C26 H26 0.9300 . ?
C35 H35 0.9300 . ?
C35 C36 1.375(5) . ?
C8 H8A 0.9300 . ?
C41 H41 0.9300 . ?
C43 H43 0.9300 . ?
C36 H36 0.9300 . ?
C38 H38 0.9300 . ?
O11 H11A 0.8200 . ?

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
O12 Co1 O14 90.14(8) 1_556 . ?
O12 Co1 N2 172.30(8) 1_556 . ?
O12 Co1 O13 92.14(8) 1_556 . ?
O12 Co1 N1 95.89(8) 1_556 . ?
O9 Co1 O12 97.69(8) . 1_556 ?
O9 Co1 O14 92.83(9) . . ?
O9 Co1 N2 89.82(8) . . ?
O9 Co1 O13 91.45(9) . . ?
O9 Co1 N1 166.34(9) . . ?
O14 Co1 O13 174.84(9) . . ?
N2 Co1 O14 87.79(9) . . ?
N2 Co1 O13 89.35(9) . . ?
N1 Co1 O14 88.60(9) . . ?
N1 Co1 N2 76.65(9) . . ?
N1 Co1 O13 86.57(9) . . ?
O1 Co2 O15 91.49(9) . . ?
O1 Co2 N4 121.75(9) . . ?
O1 Co2 N3 87.87(9) . . ?
O15 Co2 N4 97.80(10) . . ?
O15 Co2 N3 172.80(10) . . ?
O3 Co2 O1 119.52(9) 2_565 . ?
O3 Co2 O15 95.80(9) 2_565 . ?
O3 Co2 N4 116.48(9) 2_565 . ?
O3 Co2 N3 90.75(9) 2_565 . ?
N4 Co2 N3 76.52(10) . . ?
C19 Si1 C1 110.19(12) . . ?
C19 Si1 C13 111.67(11) . . ?
C19 Si1 C7 109.59(12) . . ?
C1 Si1 C13 107.66(12) . . ?
C1 Si1 C7 105.62(11) . . ?
C13 Si1 C7 111.92(12) . . ?
O9 P3 O7 115.90(11) . . ?
O9 P3 O8 111.85(11) . . ?
O9 P3 C16 107.57(12) . . ?
O7 P3 O8 107.46(12) . . ?
O7 P3 C16 108.67(11) . . ?
O8 P3 C16 104.79(12) . . ?
O12 P4 C22 108.99(11) . . ?
O12 P4 O11 109.60(11) . . ?
O11 P4 C22 103.03(12) . . ?
O10 P4 O12 114.38(11) . . ?
O10 P4 C22 109.29(12) . . ?
O10 P4 O11 110.92(12) . . ?
O5 P2 O6 110.00(12) . . ?
O5 P2 C10 108.12(11) . . ?
O4 P2 O5 115.85(12) . . ?
O4 P2 O6 106.72(12) . . ?
O4 P2 C10 108.71(13) . . ?
O6 P2 C10 107.11(12) . . ?
O1 P1 O2 107.22(12) . . ?
O1 P1 C4 106.77(12) . . ?
O3 P1 O1 116.66(12) . . ?
O3 P1 O2 112.34(12) . . ?
O3 P1 C4 108.15(11) . . ?
O2 P1 C4 104.94(11) . . ?
P4 O12 Co1 127.83(10) . 1_554 ?
P3 O9 Co1 144.49(13) . . ?
P1 O1 Co2 137.73(12) . . ?
Co2 O15 H15A 113(3) . . ?
Co2 O15 H15B 129(4) . . ?
H15A O15 H15B 104(5) . . ?
Co1 O14 H14A 131(2) . . ?
Co1 O14 H14B 120(3) . . ?
H14A O14 H14B 107(4) . . ?
C30 N2 Co1 115.14(19) . . ?
C34 N2 Co1 125.33(19) . . ?
C34 N2 C30 119.2(3) . . ?
P1 O3 Co2 141.11(12) . 2_565 ?
Co1 O13 H13A 112(3) . . ?
Co1 O13 H13B 104(3) . . ?
H13A O13 H13B 113(4) . . ?
P3 O8 H8 109.5 . . ?
C29 N1 Co1 115.60(19) . . ?
C25 N1 Co1 125.2(2) . . ?
C25 N1 C29 118.7(3) . . ?
P2 O6 H6 109.5 . . ?
P1 O2 H2 109.5 . . ?
C11 C10 P2 124.5(2) . . ?
C9 C10 P2 117.9(2) . . ?
C9 C10 C11 117.6(3) . . ?
C20 C19 Si1 123.3(2) . . ?
C20 C19 C24 117.1(2) . . ?
C24 C19 Si1 119.28(19) . . ?
C2 C1 Si1 125.4(2) . . ?
C2 C1 C6 117.0(2) . . ?
C6 C1 Si1 117.6(2) . . ?
C21 C22 P4 121.8(2) . . ?
C21 C22 C23 118.2(2) . . ?
C23 C22 P4 120.0(2) . . ?
C40 N4 Co2 116.8(2) . . ?
C44 N4 Co2 123.9(2) . . ?
C44 N4 C40 119.3(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C2 C3 C4 120.5(3) . . ?
C14 C13 Si1 122.6(2) . . ?
C14 C13 C18 116.6(2) . . ?
C18 C13 Si1 120.8(2) . . ?
C15 C16 P3 123.3(2) . . ?
C17 C16 P3 119.0(2) . . ?
C17 C16 C15 117.7(3) . . ?
C12 C7 Si1 123.5(2) . . ?
C12 C7 C8 116.1(3) . . ?
C8 C7 Si1 120.4(2) . . ?
C3 C4 P1 121.7(2) . . ?
C5 C4 P1 119.5(2) . . ?
C5 C4 C3 118.8(2) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(3) . . ?
C21 C20 H20 119.5 . . ?
C22 C21 C20 121.2(2) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C1 C2 H2A 119.2 . . ?
C3 C2 C1 121.6(3) . . ?
C3 C2 H2A 119.2 . . ?
N2 C30 C29 115.7(2) . . ?
N2 C30 C31 121.0(3) . . ?
C31 C30 C29 123.3(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
N1 C29 C30 115.8(2) . . ?
N1 C29 C28 120.9(3) . . ?
C28 C29 C30 123.2(3) . . ?
N4 C40 C39 115.8(3) . . ?
N4 C40 C41 120.6(4) . . ?
C41 C40 C39 123.7(3) . . ?
C39 N3 Co2 114.9(2) . . ?
C35 N3 Co2 125.2(2) . . ?
C35 N3 C39 119.4(3) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 C16 121.0(3) . . ?
C14 C15 H15 119.5 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.3(3) . . ?
C24 C23 H23 119.9 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.8(3) . . ?
C18 C17 H17 119.6 . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 121.9(3) . . ?
C15 C14 H14 119.0 . . ?
C13 C18 H18 119.2 . . ?
C17 C18 C13 121.7(3) . . ?
C17 C18 H18 119.2 . . ?
N2 C34 H34 118.8 . . ?
N2 C34 C33 122.5(3) . . ?
C33 C34 H34 118.8 . . ?
C29 C28 H28 120.1 . . ?
C27 C28 C29 119.8(3) . . ?
C27 C28 H28 120.1 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.3(3) . . ?
C12 C11 H11 119.8 . . ?
C19 C24 H24 119.0 . . ?
C23 C24 C19 122.0(3) . . ?
C23 C24 H24 119.0 . . ?
N3 C39 C40 114.8(3) . . ?
N3 C39 C38 121.2(4) . . ?
C38 C39 C40 124.0(3) . . ?
C1 C6 H6A 119.1 . . ?
C5 C6 C1 121.8(3) . . ?
C5 C6 H6A 119.1 . . ?
C30 C31 H31 120.4 . . ?
C32 C31 C30 119.1(3) . . ?
C32 C31 H31 120.4 . . ?
N4 C44 H44 118.6 . . ?
N4 C44 C43 122.7(4) . . ?
C43 C44 H44 118.6 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 H37 120.2 . . ?
C38 C37 C36 119.6(4) . . ?
C34 C33 H33 120.7 . . ?
C32 C33 C34 118.5(3) . . ?
C32 C33 H33 120.7 . . ?
C10 C9 H9 119.2 . . ?
C10 C9 C8 121.7(3) . . ?
C8 C9 H9 119.2 . . ?
C7 C12 C11 122.8(3) . . ?
C7 C12 H12 118.6 . . ?
C11 C12 H12 118.6 . . ?
C28 C27 H27 120.5 . . ?
C26 C27 C28 119.1(3) . . ?
C26 C27 H27 120.5 . . ?
N1 C25 H25 118.6 . . ?
N1 C25 C26 122.8(3) . . ?
C26 C25 H25 118.6 . . ?
C31 C32 C33 119.5(3) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.8(4) . . ?
C43 C42 H42 120.1 . . ?
C27 C26 C25 118.8(4) . . ?
C27 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
N3 C35 H35 119.1 . . ?
N3 C35 C36 121.8(4) . . ?
C36 C35 H35 119.1 . . ?
C7 C8 H8A 119.2 . . ?
C9 C8 C7 121.5(3) . . ?
C9 C8 H8A 119.2 . . ?
C40 C41 H41 120.2 . . ?
C42 C41 C40 119.7(4) . . ?
C42 C41 H41 120.2 . . ?
C44 C43 C42 118.0(4) . . ?
C44 C43 H43 121.0 . . ?
C42 C43 H43 121.0 . . ?
C37 C36 H36 120.5 . . ?
C35 C36 C37 119.0(4) . . ?
C35 C36 H36 120.5 . . ?
C39 C38 H38 120.5 . . ?
C37 C38 C39 119.0(4) . . ?
C37 C38 H38 120.5 . . ?
P4 O11 H11A 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N2 C30 C29 12.1(3) . . . . ?
Co1 N2 C30 C31 -169.2(2) . . . . ?
Co1 N2 C34 C33 172.6(2) . . . . ?
Co1 N1 C29 C30 4.5(3) . . . . ?
Co1 N1 C29 C28 -171.8(2) . . . . ?
Co1 N1 C25 C26 169.8(3) . . . . ?
Co2 N4 C40 C39 -5.7(3) . . . . ?
Co2 N4 C40 C41 175.4(3) . . . . ?
Co2 N4 C44 C43 -177.0(3) . . . . ?
Co2 N3 C39 C40 10.4(3) . . . . ?
Co2 N3 C39 C38 -170.2(3) . . . . ?
Co2 N3 C35 C36 170.1(3) . . . . ?
Si1 C19 C20 C21 -172.1(2) . . . . ?
Si1 C19 C24 C23 170.8(3) . . . . ?
Si1 C1 C2 C3 174.8(2) . . . . ?
Si1 C1 C6 C5 -175.8(2) . . . . ?
Si1 C13 C14 C15 -175.9(2) . . . . ?
Si1 C13 C18 C17 175.2(2) . . . . ?
Si1 C7 C12 C11 -179.7(3) . . . . ?
Si1 C7 C8 C9 180.0(3) . . . . ?
P3 C16 C15 C14 175.4(2) . . . . ?
P3 C16 C17 C18 -176.2(2) . . . . ?
P4 C22 C21 C20 178.4(2) . . . . ?
P4 C22 C23 C24 -179.9(2) . . . . ?
P2 C10 C11 C12 177.4(3) . . . . ?
P2 C10 C9 C8 -177.2(3) . . . . ?
P1 C4 C5 C6 176.6(2) . . . . ?
O12 P4 C22 C21 -123.2(2) . . . . ?
O12 P4 C22 C23 58.1(3) . . . . ?
O9 P3 C16 C15 137.9(2) . . . . ?
O9 P3 C16 C17 -42.9(3) . . . . ?
O1 P1 O3 Co2 -76.2(2) . . . 2_565 ?
O1 P1 C4 C3 175.9(2) . . . . ?
O1 P1 C4 C5 -2.8(3) . . . . ?
O5 P2 C10 C11 130.2(3) . . . . ?
O5 P2 C10 C9 -51.1(3) . . . . ?
O7 P3 O9 Co1 31.3(3) . . . . ?
O7 P3 C16 C15 -95.9(3) . . . . ?
O7 P3 C16 C17 83.3(2) . . . . ?
N2 C30 C29 N1 -11.1(4) . . . . ?
N2 C30 C29 C28 165.2(3) . . . . ?
N2 C30 C31 C32 -4.6(5) . . . . ?
N2 C34 C33 C32 -3.5(5) . . . . ?
O3 P1 O1 Co2 31.8(2) . . . . ?
O3 P1 C4 C3 -57.8(2) . . . . ?
O3 P1 C4 C5 123.5(2) . . . . ?
O8 P3 O9 Co1 -92.4(2) . . . . ?
O8 P3 C16 C15 18.7(3) . . . . ?
O8 P3 C16 C17 -162.0(2) . . . . ?
O4 P2 C10 C11 -103.3(3) . . . . ?
O4 P2 C10 C9 75.4(3) . . . . ?
N1 C29 C28 C27 1.9(5) . . . . ?
N1 C25 C26 C27 0.6(6) . . . . ?
O6 P2 C10 C11 11.6(3) . . . . ?
O6 P2 C10 C9 -169.6(3) . . . . ?
O2 P1 O1 Co2 -95.11(19) . . . . ?
O2 P1 O3 Co2 48.1(3) . . . 2_565 ?
O2 P1 C4 C3 62.3(2) . . . . ?
O2 P1 C4 C5 -116.4(2) . . . . ?
C10 C11 C12 C7 0.7(6) . . . . ?
C10 C9 C8 C7 -1.2(7) . . . . ?
C19 Si1 C1 C2 7.0(3) . . . . ?
C19 Si1 C1 C6 -176.3(2) . . . . ?
C19 Si1 C13 C14 -64.0(3) . . . . ?
C19 Si1 C13 C18 116.9(2) . . . . ?
C19 Si1 C7 C12 57.1(3) . . . . ?
C19 Si1 C7 C8 -122.4(3) . . . . ?
C19 C20 C21 C22 1.3(5) . . . . ?
C1 Si1 C19 C20 111.9(2) . . . . ?
C1 Si1 C19 C24 -61.8(3) . . . . ?
C1 Si1 C13 C14 174.9(2) . . . . ?
C1 Si1 C13 C18 -4.1(3) . . . . ?
C1 Si1 C7 C12 175.8(3) . . . . ?
C1 Si1 C7 C8 -3.7(3) . . . . ?
C22 P4 O12 Co1 167.88(13) . . . 1_554 ?
C22 C23 C24 C19 1.8(5) . . . . ?
N4 C40 C39 N3 -3.3(4) . . . . ?
N4 C40 C39 C38 177.2(3) . . . . ?
N4 C40 C41 C42 2.4(6) . . . . ?
N4 C44 C43 C42 1.1(6) . . . . ?
C3 C4 C5 C6 -2.2(4) . . . . ?
C13 Si1 C19 C20 -7.7(3) . . . . ?
C13 Si1 C19 C24 178.6(2) . . . . ?
C13 Si1 C1 C2 129.0(2) . . . . ?
C13 Si1 C1 C6 -54.3(2) . . . . ?
C13 Si1 C7 C12 -67.3(3) . . . . ?
C13 Si1 C7 C8 113.2(3) . . . . ?
C16 P3 O9 Co1 153.1(2) . . . . ?
C16 C15 C14 C13 0.7(5) . . . . ?
C16 C17 C18 C13 0.8(5) . . . . ?
C7 Si1 C19 C20 -132.3(2) . . . . ?
C7 Si1 C19 C24 54.0(3) . . . . ?
C7 Si1 C1 C2 -111.3(2) . . . . ?
C7 Si1 C1 C6 65.4(2) . . . . ?
C7 Si1 C13 C14 59.2(3) . . . . ?
C7 Si1 C13 C18 -119.8(2) . . . . ?
C4 P1 O1 Co2 152.85(17) . . . . ?
C4 P1 O3 Co2 163.5(2) . . . 2_565 ?
C4 C3 C2 C1 0.7(4) . . . . ?
C4 C5 C6 C1 0.9(4) . . . . ?
C20 C19 C24 C23 -3.3(5) . . . . ?
C21 C22 C23 C24 1.3(5) . . . . ?
C2 C1 C6 C5 1.1(4) . . . . ?
C2 C3 C4 P1 -177.3(2) . . . . ?
C2 C3 C4 C5 1.4(4) . . . . ?
C30 N2 C34 C33 -0.2(4) . . . . ?
C30 C29 C28 C27 -174.2(3) . . . . ?
C30 C31 C32 C33 0.8(5) . . . . ?
C29 N1 C25 C26 -1.5(5) . . . . ?
C29 C30 C31 C32 174.1(3) . . . . ?
C29 C28 C27 C26 -2.7(5) . . . . ?
C40 N4 C44 C43 0.5(5) . . . . ?
C40 C39 C38 C37 178.0(4) . . . . ?
N3 C39 C38 C37 -1.4(6) . . . . ?
N3 C35 C36 C37 -0.2(6) . . . . ?
C15 C16 C17 C18 3.1(4) . . . . ?
C23 C22 C21 C20 -2.9(4) . . . . ?
C17 C16 C15 C14 -3.8(4) . . . . ?
C14 C13 C18 C17 -3.9(4) . . . . ?
C18 C13 C14 C15 3.1(4) . . . . ?
C34 N2 C30 C29 -174.5(2) . . . . ?
C34 N2 C30 C31 4.3(4) . . . . ?
C34 C33 C32 C31 3.1(5) . . . . ?
C28 C27 C26 C25 1.5(6) . . . . ?
C11 C10 C9 C8 1.6(6) . . . . ?
C24 C19 C20 C21 1.8(4) . . . . ?
C39 C40 C41 C42 -176.4(4) . . . . ?
C39 N3 C35 C36 -1.1(5) . . . . ?
C6 C1 C2 C3 -1.9(4) . . . . ?
C31 C30 C29 N1 170.2(3) . . . . ?
C31 C30 C29 C28 -13.6(4) . . . . ?
C44 N4 C40 C39 176.7(3) . . . . ?
C44 N4 C40 C41 -2.2(5) . . . . ?
C9 C10 C11 C12 -1.3(5) . . . . ?
C12 C7 C8 C9 0.5(6) . . . . ?
C25 N1 C29 C30 176.5(3) . . . . ?
C25 N1 C29 C28 0.2(4) . . . . ?
C35 N3 C39 C40 -177.6(3) . . . . ?
C35 N3 C39 C38 1.9(5) . . . . ?
C8 C7 C12 C11 -0.2(5) . . . . ?
C41 C40 C39 N3 175.5(3) . . . . ?
C41 C40 C39 C38 -3.9(5) . . . . ?
C41 C42 C43 C44 -0.9(7) . . . . ?
C43 C42 C41 C40 -0.8(7) . . . . ?
C36 C37 C38 C39 0.1(7) . . . . ?
C38 C37 C36 C35 0.7(7) . . . . ?
O11 P4 O12 Co1 -80.06(16) . . . 1_554 ?
O11 P4 C22 C21 120.5(2) . . . . ?
O11 P4 C22 C23 -58.3(3) . . . . ?
O10 P4 O12 Co1 45.23(18) . . . 1_554 ?
O10 P4 C22 C21 2.5(3) . . . . ?
O10 P4 C22 C23 -176.3(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
