# Supplementary Information (SI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 
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data_928co_0m_sq
_audit_block_doi                 10.5517/ccdc.csd.cc2jgx0y
_database_code_depnum_ccdc_archive 'CCDC 2338020'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/d4cy00677a 2024
loop_
_audit_author_name
_audit_author_address
BPXFC-Co
;South China University of Technology
China
;
_audit_update_record             
;
2024-03-06 deposited with the CCDC.	2024-08-16 downloaded from the CCDC.
;
_audit_creation_date             2023-09-28
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C65 H36 Co F10 N4 O2 P'
_chemical_formula_sum            'C65 H36 Co F10 N4 O2 P'
_chemical_formula_weight         1184.88
_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'
F F 0.0171 0.0103 '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'

_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                   8.8638(3)
_cell_length_b                   27.6166(10)
_cell_length_c                   22.2046(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.3670(10)
_cell_angle_gamma                90
_cell_volume                     5426.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7947
_cell_measurement_temperature    170
_cell_measurement_theta_max      26.310
_cell_measurement_theta_min      2.396
_shelx_estimated_absorpt_T_max   0.979
_shelx_estimated_absorpt_T_min   0.938
_exptl_absorpt_coefficient_mu    0.431
_exptl_absorpt_correction_T_max  0.0151
_exptl_absorpt_correction_T_min  0.0033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1323 before and 0.0637 after correction.
The Ratio of minimum to maximum transmission is 0.2185.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2408
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32745
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.398
_diffrn_reflns_theta_min         2.356
_diffrn_ambient_temperature      170
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7811
_reflns_number_total             10843
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     750
_refine_ls_number_reflns         10843
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0671
_refine_ls_restrained_S_all      1.053
_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)+(0.0821P)²+4.8762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.1928
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C33(H33), C29(H29), C63(H63), C48(H48), C50(H50), C27(H27), C64(H64),
 C59(H59), C34(H34), C60(H60), C35(H35), C18(H18), C44(H44), C11(H11), C47(H47),
  C42(H42), C8(H8), C2(H2), C16(H16), C14(H14), C43(H43), C15(H15), C17(H17),
 C6(H6), C12(H12), C9(H9), C10(H10), C5(H5), C3(H3), C4(H4)
2.b Idealised Me refined as rotating group:
 C40(H40A,H40B,H40C), C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_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 0.65078(6) 0.69852(2) 0.67120(2) 0.04855(16) Uani 1 1 d . . . . .
P1 P 0.87221(12) 0.73511(4) 0.68479(5) 0.0525(3) Uani 1 1 d . . . . .
F1 F 0.2768(3) 0.76613(10) 0.48051(13) 0.0759(7) Uani 1 1 d . . . . .
F5 F 0.6202(3) 0.87791(9) 0.57264(13) 0.0791(8) Uani 1 1 d . . . . .
F10 F 0.5002(3) 0.53319(10) 0.79111(12) 0.0823(8) Uani 1 1 d . . . . .
O1 O 0.5739(3) 0.57914(10) 0.47554(12) 0.0596(7) Uani 1 1 d . . . . .
F8 F 0.7848(4) 0.46795(11) 0.95528(14) 0.0917(9) Uani 1 1 d . . . . .
F9 F 0.5527(4) 0.46138(10) 0.87108(15) 0.0969(10) Uani 1 1 d . . . . .
F6 F 0.9204(4) 0.61782(11) 0.87595(14) 0.0927(9) Uani 1 1 d . . . . .
N1 N 0.6011(4) 0.69368(11) 0.75163(14) 0.0519(8) Uani 1 1 d . . . . .
F2 F 0.1809(4) 0.83317(13) 0.40128(14) 0.0975(10) Uani 1 1 d . . . . .
F4 F 0.5199(4) 0.94575(10) 0.49314(16) 0.0995(11) Uani 1 1 d . . . . .
F7 F 0.9667(4) 0.54775(13) 0.95865(16) 0.1095(12) Uani 1 1 d . . . . .
N2 N 0.7118(4) 0.63297(11) 0.67333(14) 0.0513(7) Uani 1 1 d . . . . .
O2 O 0.2113(4) 0.66442(12) 0.46862(17) 0.0779(9) Uani 1 1 d . . . . .
F3 F 0.3012(4) 0.92381(12) 0.40661(15) 0.1087(12) Uani 1 1 d . . . . .
N3 N 0.6323(4) 0.70183(11) 0.58612(14) 0.0512(7) Uani 1 1 d . . . . .
N4 N 0.5306(4) 0.75383(11) 0.67576(14) 0.0517(7) Uani 1 1 d . . . . .
C62 C 0.5178(5) 0.73050(15) 0.77412(18) 0.0552(9) Uani 1 1 d . . . . .
C36 C 0.7847(5) 0.54372(14) 0.42746(18) 0.0543(9) Uani 1 1 d . . . . .
C20 C 0.6194(5) 0.53736(15) 0.83159(19) 0.0592(10) Uani 1 1 d . . . . .
C32 C 0.8211(5) 0.59301(13) 0.51874(17) 0.0530(9) Uani 1 1 d . . . . .
C53 C 0.3384(5) 0.80986(17) 0.4849(2) 0.0631(11) Uani 1 1 d . . . . .
C65 C 0.6282(5) 0.65969(14) 0.79612(18) 0.0533(9) Uani 1 1 d . . . . .
C37 C 0.7276(5) 0.57126(14) 0.47336(18) 0.0544(9) Uani 1 1 d . . . . .
C61 C 0.4759(5) 0.76489(15) 0.72991(18) 0.0565(10) Uani 1 1 d . . . . .
C13 C 1.0326(5) 0.69344(14) 0.6874(2) 0.0565(10) Uani 1 1 d . . . . .
C25 C 0.6904(5) 0.61531(14) 0.78178(17) 0.0524(9) Uani 1 1 d . . . . .
C33 C 0.9742(5) 0.58547(14) 0.51806(19) 0.0577(10) Uani 1 1 d . . . . .
H33 H 1.040324 0.598854 0.548927 0.069 Uiso 1 1 calc R U . . .
C29 C 0.8054(5) 0.55997(15) 0.64510(18) 0.0573(10) Uani 1 1 d . . . . .
H29 H 0.843349 0.535021 0.620719 0.069 Uiso 1 1 calc R U . . .
C26 C 0.7272(5) 0.60264(14) 0.72310(17) 0.0524(9) Uani 1 1 d . . . . .
C31 C 0.6915(5) 0.66865(14) 0.54725(17) 0.0530(9) Uani 1 1 d . . . . .
C21 C 0.6452(6) 0.50020(16) 0.8726(2) 0.0666(11) Uani 1 1 d . . . . .
C63 C 0.4961(6) 0.72060(15) 0.83603(18) 0.0620(11) Uani 1 1 d . . . . .
H63 H 0.443931 0.740357 0.862986 0.074 Uiso 1 1 calc R U . . .
C28 C 0.7596(5) 0.60708(14) 0.62511(18) 0.0534(9) Uani 1 1 d . . . . .
C49 C 0.5791(5) 0.74023(14) 0.55130(17) 0.0529(9) Uani 1 1 d . . . . .
C30 C 0.7550(5) 0.62444(14) 0.56533(17) 0.0533(9) Uani 1 1 d . . . . .
C52 C 0.4525(5) 0.81932(15) 0.52977(19) 0.0587(10) Uani 1 1 d . . . . .
C48 C 0.6752(5) 0.68737(15) 0.48738(18) 0.0589(10) Uani 1 1 d . . . . .
H48 H 0.706390 0.671901 0.451976 0.071 Uiso 1 1 calc R U . . .
C50 C 0.6073(5) 0.73115(15) 0.49006(18) 0.0582(10) Uani 1 1 d . . . . .
H50 H 0.582949 0.752043 0.456921 0.070 Uiso 1 1 calc R U . . .
C58 C 0.4798(5) 0.78778(14) 0.63383(19) 0.0558(9) Uani 1 1 d . . . . .
C54 C 0.2878(6) 0.84432(19) 0.4445(2) 0.0720(13) Uani 1 1 d . . . . .
C38 C 0.6718(6) 0.51865(16) 0.38275(19) 0.0638(11) Uani 1 1 d . . . . .
C27 C 0.7854(5) 0.55710(14) 0.70434(19) 0.0584(10) Uani 1 1 d . . . . .
H27 H 0.806244 0.529737 0.729398 0.070 Uiso 1 1 calc R U . . .
C64 C 0.5644(5) 0.67744(16) 0.84914(18) 0.0597(10) Uani 1 1 d . . . . .
H64 H 0.568832 0.661781 0.887301 0.072 Uiso 1 1 calc R U . . .
C7 C 0.8902(5) 0.76903(15) 0.75559(19) 0.0603(10) Uani 1 1 d . . . . .
C22 C 0.7605(6) 0.50378(17) 0.9150(2) 0.0673(12) Uani 1 1 d . . . . .
C51 C 0.5063(5) 0.78183(14) 0.57340(18) 0.0533(9) Uani 1 1 d . . . . .
C59 C 0.3904(5) 0.82206(16) 0.6649(2) 0.0640(11) Uani 1 1 d . . . . .
H59 H 0.341688 0.849822 0.647551 0.077 Uiso 1 1 calc R U . . .
C34 C 1.0323(5) 0.55819(15) 0.4721(2) 0.0600(10) Uani 1 1 d . . . . .
H34 H 1.138341 0.553376 0.471697 0.072 Uiso 1 1 calc R U . . .
C1 C 0.9178(5) 0.77986(16) 0.6281(2) 0.0615(10) Uani 1 1 d . . . . .
C60 C 0.3877(6) 0.80776(16) 0.7235(2) 0.0657(11) Uani 1 1 d . . . . .
H60 H 0.336383 0.823510 0.754368 0.079 Uiso 1 1 calc R U . . .
C35 C 0.9400(5) 0.53839(15) 0.42794(19) 0.0598(10) Uani 1 1 d . . . . .
H35 H 0.982855 0.520475 0.396648 0.072 Uiso 1 1 calc R U . . .
C19 C 0.7120(5) 0.57758(15) 0.83006(18) 0.0568(10) Uani 1 1 d . . . . .
C45 C 0.3652(5) 0.60997(16) 0.4170(2) 0.0624(10) Uani 1 1 d . . . . .
C41 C 0.5379(5) 0.55260(15) 0.37269(19) 0.0599(10) Uani 1 1 d . . . . .
C18 C 1.1441(5) 0.69580(17) 0.6458(2) 0.0673(11) Uani 1 1 d . . . . .
H18 H 1.137407 0.719006 0.614210 0.081 Uiso 1 1 calc R U . . .
C46 C 0.4920(5) 0.58033(15) 0.42056(19) 0.0582(10) Uani 1 1 d . . . . .
C24 C 0.8266(5) 0.57985(16) 0.8741(2) 0.0636(11) Uani 1 1 d . . . . .
C44 C 0.2775(6) 0.61059(17) 0.3623(2) 0.0707(12) Uani 1 1 d . . . . .
H44 H 0.188117 0.629617 0.358495 0.085 Uiso 1 1 calc R U . . .
C11 C 0.9988(6) 0.75859(18) 0.8010(2) 0.0704(12) Uani 1 1 d . . . . .
H11 H 1.066885 0.732474 0.796236 0.085 Uiso 1 1 calc R U . . .
C47 C 0.3224(5) 0.63904(17) 0.4684(2) 0.0671(11) Uani 1 1 d . . . . .
H47 H 0.386512 0.637879 0.504137 0.080 Uiso 1 1 calc R U . . .
C57 C 0.5097(6) 0.86600(17) 0.5312(2) 0.0661(11) Uani 1 1 d . . . . .
C23 C 0.8520(6) 0.54376(19) 0.9164(2) 0.0731(13) Uani 1 1 d . . . . .
C42 C 0.4473(6) 0.55565(16) 0.3193(2) 0.0696(12) Uani 1 1 d . . . . .
H42 H 0.474463 0.537591 0.285177 0.084 Uiso 1 1 calc R U . . .
C8 C 0.7915(6) 0.80734(18) 0.7627(3) 0.0746(13) Uani 1 1 d . . . . .
H8 H 0.716238 0.814820 0.731899 0.089 Uiso 1 1 calc R U . . .
C2 C 0.9109(5) 0.7666(2) 0.5670(2) 0.0732(13) Uani 1 1 d . . . . .
H2 H 0.880549 0.734768 0.555691 0.088 Uiso 1 1 calc R U . . .
C16 C 1.2778(6) 0.63067(18) 0.6971(3) 0.0790(14) Uani 1 1 d . . . . .
H16 H 1.363238 0.609903 0.701213 0.095 Uiso 1 1 calc R U . . .
C14 C 1.0429(5) 0.65851(15) 0.7324(2) 0.0651(11) Uani 1 1 d . . . . .
H14 H 0.965166 0.655834 0.759912 0.078 Uiso 1 1 calc R U . . .
C40 C 0.6138(6) 0.47178(17) 0.4124(2) 0.0749(13) Uani 1 1 d . . . . .
H40A H 0.564784 0.480140 0.449449 0.112 Uiso 1 1 calc R U . . .
H40B H 0.699217 0.450066 0.422181 0.112 Uiso 1 1 calc R U . . .
H40C H 0.540864 0.455553 0.384324 0.112 Uiso 1 1 calc R U . . .
C55 C 0.3471(7) 0.8898(2) 0.4467(2) 0.0789(15) Uani 1 1 d . . . . .
C43 C 0.3201(6) 0.58403(18) 0.3147(2) 0.0761(13) Uani 1 1 d . . . . .
H43 H 0.260929 0.585099 0.277670 0.091 Uiso 1 1 calc R U . . .
C15 C 1.1654(6) 0.62763(17) 0.7374(3) 0.0763(13) Uani 1 1 d . . . . .
H15 H 1.172469 0.604161 0.768685 0.092 Uiso 1 1 calc R U . . .
C17 C 1.2658(6) 0.66370(19) 0.6512(3) 0.0760(14) Uani 1 1 d . . . . .
H17 H 1.341190 0.664806 0.622534 0.091 Uiso 1 1 calc R U . . .
C56 C 0.4570(7) 0.90126(17) 0.4905(2) 0.0760(14) Uani 1 1 d . . . . .
C6 C 0.9658(6) 0.82621(18) 0.6435(3) 0.0809(14) Uani 1 1 d . . . . .
H6 H 0.973567 0.835930 0.684598 0.097 Uiso 1 1 calc R U . . .
C39 C 0.7459(6) 0.50577(19) 0.3248(2) 0.0782(14) Uani 1 1 d . . . . .
H39A H 0.671975 0.489788 0.296902 0.117 Uiso 1 1 calc R U . . .
H39B H 0.831189 0.483879 0.334025 0.117 Uiso 1 1 calc R U . . .
H39C H 0.782463 0.535358 0.306087 0.117 Uiso 1 1 calc R U . . .
C12 C 1.0089(7) 0.7859(2) 0.8530(2) 0.0840(15) Uani 1 1 d . . . . .
H12 H 1.082295 0.777906 0.884324 0.101 Uiso 1 1 calc R U . . .
C9 C 0.8038(7) 0.8350(2) 0.8159(3) 0.0913(18) Uani 1 1 d . . . . .
H9 H 0.735720 0.860979 0.821391 0.110 Uiso 1 1 calc R U . . .
C10 C 0.9144(7) 0.8244(2) 0.8602(3) 0.0921(18) Uani 1 1 d . . . . .
H10 H 0.925007 0.843825 0.895561 0.111 Uiso 1 1 calc R U . . .
C5 C 1.0028(7) 0.8586(2) 0.5984(3) 0.0992(19) Uani 1 1 d . . . . .
H5 H 1.035080 0.890401 0.609093 0.119 Uiso 1 1 calc R U . . .
C3 C 0.9477(7) 0.7993(3) 0.5232(3) 0.0916(17) Uani 1 1 d . . . . .
H3 H 0.941440 0.789954 0.481904 0.110 Uiso 1 1 calc R U . . .
C4 C 0.9931(7) 0.8451(3) 0.5392(3) 0.103(2) Uani 1 1 d . . . . .
H4 H 1.017918 0.867576 0.508974 0.124 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P1 2.2124(12) . ?
Co1 N1 1.869(3) . ?
Co1 N2 1.889(3) . ?
Co1 N3 1.889(3) . ?
Co1 N4 1.868(3) . ?
P1 C13 1.828(4) . ?
P1 C7 1.829(4) . ?
P1 C1 1.826(4) . ?
F1 C53 1.327(5) . ?
F5 C57 1.345(6) . ?
F10 C20 1.351(5) . ?
O1 C37 1.383(5) . ?
O1 C46 1.384(5) . ?
F8 C22 1.342(5) . ?
F9 C21 1.349(5) . ?
F6 C24 1.337(5) . ?
N1 C62 1.368(5) . ?
N1 C65 1.374(5) . ?
F2 C54 1.345(6) . ?
F4 C56 1.349(6) . ?
F7 C23 1.347(6) . ?
N2 C26 1.387(5) . ?
N2 C28 1.375(5) . ?
O2 C47 1.209(5) . ?
F3 C55 1.340(5) . ?
N3 C31 1.383(5) . ?
N3 C49 1.379(5) . ?
N4 C61 1.358(5) . ?
N4 C58 1.378(5) . ?
C62 C61 1.400(6) . ?
C62 C63 1.426(6) . ?
C36 C37 1.391(5) . ?
C36 C38 1.533(6) . ?
C36 C35 1.384(6) . ?
C20 C21 1.382(6) . ?
C20 C19 1.382(6) . ?
C32 C37 1.401(6) . ?
C32 C33 1.374(6) . ?
C32 C30 1.496(5) . ?
C53 C52 1.402(7) . ?
C53 C54 1.365(6) . ?
C65 C25 1.389(6) . ?
C65 C64 1.423(6) . ?
C61 C60 1.421(6) . ?
C13 C18 1.393(6) . ?
C13 C14 1.387(6) . ?
C25 C26 1.406(5) . ?
C25 C19 1.499(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.391(6) . ?
C29 H29 0.9500 . ?
C29 C28 1.426(6) . ?
C29 C27 1.340(6) . ?
C26 C27 1.431(6) . ?
C31 C30 1.393(6) . ?
C31 C48 1.426(5) . ?
C21 C22 1.353(7) . ?
C63 H63 0.9500 . ?
C63 C64 1.361(6) . ?
C28 C30 1.410(5) . ?
C49 C50 1.419(5) . ?
C49 C51 1.419(5) . ?
C52 C51 1.478(6) . ?
C52 C57 1.385(6) . ?
C48 H48 0.9500 . ?
C48 C50 1.353(6) . ?
C50 H50 0.9500 . ?
C58 C51 1.386(6) . ?
C58 C59 1.437(6) . ?
C54 C55 1.362(8) . ?
C38 C41 1.518(6) . ?
C38 C40 1.554(6) . ?
C38 C39 1.522(6) . ?
C27 H27 0.9500 . ?
C64 H64 0.9500 . ?
C7 C11 1.382(7) . ?
C7 C8 1.388(7) . ?
C22 C23 1.369(7) . ?
C59 H59 0.9500 . ?
C59 C60 1.362(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.355(6) . ?
C1 C2 1.403(7) . ?
C1 C6 1.385(7) . ?
C60 H60 0.9500 . ?
C35 H35 0.9500 . ?
C19 C24 1.370(6) . ?
C45 C46 1.389(6) . ?
C45 C44 1.404(7) . ?
C45 C47 1.463(6) . ?
C41 C46 1.390(6) . ?
C41 C42 1.395(7) . ?
C18 H18 0.9500 . ?
C18 C17 1.396(7) . ?
C24 C23 1.379(6) . ?
C44 H44 0.9500 . ?
C44 C43 1.357(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(7) . ?
C47 H47 0.9500 . ?
C57 C56 1.391(7) . ?
C42 H42 0.9500 . ?
C42 C43 1.372(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.406(7) . ?
C2 H2 0.9500 . ?
C2 C3 1.380(7) . ?
C16 H16 0.9500 . ?
C16 C15 1.380(7) . ?
C16 C17 1.367(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.380(7) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C55 C56 1.372(8) . ?
C43 H43 0.9500 . ?
C15 H15 0.9500 . ?
C17 H17 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.395(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C10 1.369(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(9) . ?
C10 H10 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.365(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.368(9) . ?
C4 H4 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Co1 P1 99.16(11) . . ?
N1 Co1 N2 89.48(13) . . ?
N1 Co1 N3 161.37(15) . . ?
N2 Co1 P1 100.60(11) . . ?
N3 Co1 P1 97.96(11) . . ?
N3 Co1 N2 94.55(13) . . ?
N4 Co1 P1 97.07(11) . . ?
N4 Co1 N1 80.77(14) . . ?
N4 Co1 N2 160.98(15) . . ?
N4 Co1 N3 89.91(14) . . ?
C13 P1 Co1 113.52(14) . . ?
C13 P1 C7 105.5(2) . . ?
C7 P1 Co1 112.52(15) . . ?
C1 P1 Co1 116.48(16) . . ?
C1 P1 C13 104.2(2) . . ?
C1 P1 C7 103.5(2) . . ?
C37 O1 C46 116.1(3) . . ?
C62 N1 Co1 117.3(3) . . ?
C62 N1 C65 108.7(3) . . ?
C65 N1 Co1 134.0(3) . . ?
C26 N2 Co1 127.8(3) . . ?
C28 N2 Co1 125.4(3) . . ?
C28 N2 C26 106.6(3) . . ?
C31 N3 Co1 125.3(3) . . ?
C49 N3 Co1 127.2(3) . . ?
C49 N3 C31 106.8(3) . . ?
C61 N4 Co1 117.8(3) . . ?
C61 N4 C58 109.0(3) . . ?
C58 N4 Co1 133.2(3) . . ?
N1 C62 C61 112.0(3) . . ?
N1 C62 C63 108.4(4) . . ?
C61 C62 C63 139.5(4) . . ?
C37 C36 C38 118.0(4) . . ?
C35 C36 C37 117.2(4) . . ?
C35 C36 C38 124.6(4) . . ?
F10 C20 C21 117.9(4) . . ?
F10 C20 C19 119.6(4) . . ?
C21 C20 C19 122.5(4) . . ?
C37 C32 C30 120.5(4) . . ?
C33 C32 C37 118.0(4) . . ?
C33 C32 C30 121.5(4) . . ?
F1 C53 C52 119.9(4) . . ?
F1 C53 C54 117.9(5) . . ?
C54 C53 C52 122.2(5) . . ?
N1 C65 C25 119.6(3) . . ?
N1 C65 C64 107.4(3) . . ?
C25 C65 C64 132.6(4) . . ?
O1 C37 C36 120.9(4) . . ?
O1 C37 C32 116.7(3) . . ?
C36 C37 C32 122.4(4) . . ?
N4 C61 C62 112.0(3) . . ?
N4 C61 C60 108.8(4) . . ?
C62 C61 C60 139.2(4) . . ?
C18 C13 P1 122.0(3) . . ?
C14 C13 P1 118.6(3) . . ?
C14 C13 C18 119.4(4) . . ?
C65 C25 C26 123.3(4) . . ?
C65 C25 C19 119.0(3) . . ?
C26 C25 C19 117.6(3) . . ?
C32 C33 H33 120.1 . . ?
C32 C33 C34 119.9(4) . . ?
C34 C33 H33 120.1 . . ?
C28 C29 H29 126.0 . . ?
C27 C29 H29 126.0 . . ?
C27 C29 C28 107.9(4) . . ?
N2 C26 C25 124.8(4) . . ?
N2 C26 C27 108.6(3) . . ?
C25 C26 C27 126.6(4) . . ?
N3 C31 C30 124.2(3) . . ?
N3 C31 C48 108.7(3) . . ?
C30 C31 C48 127.1(4) . . ?
F9 C21 C20 119.8(5) . . ?
F9 C21 C22 120.6(4) . . ?
C22 C21 C20 119.6(4) . . ?
C62 C63 H63 126.5 . . ?
C64 C63 C62 106.9(4) . . ?
C64 C63 H63 126.5 . . ?
N2 C28 C29 109.1(3) . . ?
N2 C28 C30 124.3(4) . . ?
C30 C28 C29 126.5(4) . . ?
N3 C49 C50 109.1(3) . . ?
N3 C49 C51 125.2(3) . . ?
C50 C49 C51 125.7(4) . . ?
C31 C30 C32 118.5(3) . . ?
C31 C30 C28 123.9(4) . . ?
C28 C30 C32 117.6(3) . . ?
C53 C52 C51 121.8(4) . . ?
C57 C52 C53 116.0(4) . . ?
C57 C52 C51 122.2(4) . . ?
C31 C48 H48 126.2 . . ?
C50 C48 C31 107.7(4) . . ?
C50 C48 H48 126.2 . . ?
C49 C50 H50 126.2 . . ?
C48 C50 C49 107.7(4) . . ?
C48 C50 H50 126.2 . . ?
N4 C58 C51 120.4(3) . . ?
N4 C58 C59 107.0(4) . . ?
C51 C58 C59 132.3(4) . . ?
F2 C54 C53 120.0(5) . . ?
F2 C54 C55 119.4(5) . . ?
C55 C54 C53 120.6(5) . . ?
C36 C38 C40 108.7(4) . . ?
C41 C38 C36 106.9(3) . . ?
C41 C38 C40 107.6(4) . . ?
C41 C38 C39 113.1(4) . . ?
C39 C38 C36 110.8(4) . . ?
C39 C38 C40 109.5(4) . . ?
C29 C27 C26 107.7(4) . . ?
C29 C27 H27 126.1 . . ?
C26 C27 H27 126.1 . . ?
C65 C64 H64 125.7 . . ?
C63 C64 C65 108.6(4) . . ?
C63 C64 H64 125.7 . . ?
C11 C7 P1 122.8(4) . . ?
C11 C7 C8 119.5(4) . . ?
C8 C7 P1 117.7(4) . . ?
F8 C22 C21 119.7(4) . . ?
F8 C22 C23 120.6(5) . . ?
C21 C22 C23 119.7(4) . . ?
C49 C51 C52 118.4(3) . . ?
C58 C51 C49 122.5(4) . . ?
C58 C51 C52 119.0(3) . . ?
C58 C59 H59 126.0 . . ?
C60 C59 C58 108.0(4) . . ?
C60 C59 H59 126.0 . . ?
C33 C34 H34 119.5 . . ?
C35 C34 C33 121.1(4) . . ?
C35 C34 H34 119.5 . . ?
C2 C1 P1 119.4(4) . . ?
C6 C1 P1 122.2(4) . . ?
C6 C1 C2 118.3(4) . . ?
C61 C60 H60 126.4 . . ?
C59 C60 C61 107.3(4) . . ?
C59 C60 H60 126.4 . . ?
C36 C35 H35 119.3 . . ?
C34 C35 C36 121.4(4) . . ?
C34 C35 H35 119.3 . . ?
C20 C19 C25 121.7(4) . . ?
C24 C19 C20 115.8(4) . . ?
C24 C19 C25 122.4(4) . . ?
C46 C45 C44 117.5(4) . . ?
C46 C45 C47 121.7(4) . . ?
C44 C45 C47 120.8(4) . . ?
C46 C41 C38 119.3(4) . . ?
C46 C41 C42 115.9(4) . . ?
C42 C41 C38 124.6(4) . . ?
C13 C18 H18 120.4 . . ?
C13 C18 C17 119.2(5) . . ?
C17 C18 H18 120.4 . . ?
O1 C46 C45 116.4(4) . . ?
O1 C46 C41 119.9(4) . . ?
C45 C46 C41 123.6(4) . . ?
F6 C24 C19 119.5(4) . . ?
F6 C24 C23 118.0(4) . . ?
C19 C24 C23 122.5(4) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 C45 120.1(5) . . ?
C43 C44 H44 120.0 . . ?
C7 C11 H11 119.8 . . ?
C12 C11 C7 120.3(5) . . ?
C12 C11 H11 119.8 . . ?
O2 C47 C45 124.8(5) . . ?
O2 C47 H47 117.6 . . ?
C45 C47 H47 117.6 . . ?
F5 C57 C52 119.6(4) . . ?
F5 C57 C56 118.5(4) . . ?
C52 C57 C56 121.9(5) . . ?
F7 C23 C22 120.2(4) . . ?
F7 C23 C24 120.1(5) . . ?
C22 C23 C24 119.7(5) . . ?
C41 C42 H42 119.1 . . ?
C43 C42 C41 121.8(4) . . ?
C43 C42 H42 119.1 . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.5(5) . . ?
C9 C8 H8 120.3 . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 120.9(5) . . ?
C3 C2 H2 119.5 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C17 C16 C15 119.7(5) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.3(5) . . ?
C15 C14 H14 119.8 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
F3 C55 C54 121.4(6) . . ?
F3 C55 C56 119.0(5) . . ?
C54 C55 C56 119.6(4) . . ?
C44 C43 C42 121.1(5) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C16 C15 C14 120.3(5) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C18 C17 H17 119.6 . . ?
C16 C17 C18 120.9(5) . . ?
C16 C17 H17 119.6 . . ?
F4 C56 C57 119.1(6) . . ?
F4 C56 C55 121.0(5) . . ?
C55 C56 C57 119.8(5) . . ?
C1 C6 H6 120.1 . . ?
C1 C6 C5 119.8(6) . . ?
C5 C6 H6 120.1 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C11 C12 H12 119.6 . . ?
C10 C12 C11 120.9(6) . . ?
C10 C12 H12 119.6 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.1(5) . . ?
C10 C9 H9 119.9 . . ?
C12 C10 C9 119.7(5) . . ?
C12 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.8(6) . . ?
C4 C5 H5 119.6 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(6) . . ?
C4 C3 H3 120.1 . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?

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 P1 C13 C18 119.1(3) . . . . ?
Co1 P1 C13 C14 -61.0(4) . . . . ?
Co1 P1 C7 C11 118.6(4) . . . . ?
Co1 P1 C7 C8 -62.8(4) . . . . ?
Co1 P1 C1 C2 -54.0(4) . . . . ?
Co1 P1 C1 C6 128.9(4) . . . . ?
Co1 N1 C62 C61 3.7(5) . . . . ?
Co1 N1 C62 C63 -178.3(3) . . . . ?
Co1 N1 C65 C25 -9.0(6) . . . . ?
Co1 N1 C65 C64 178.3(3) . . . . ?
Co1 N2 C26 C25 3.9(6) . . . . ?
Co1 N2 C26 C27 -176.3(3) . . . . ?
Co1 N2 C28 C29 176.2(3) . . . . ?
Co1 N2 C28 C30 -7.0(6) . . . . ?
Co1 N3 C31 C30 9.5(6) . . . . ?
Co1 N3 C31 C48 -170.8(3) . . . . ?
Co1 N3 C49 C50 170.3(3) . . . . ?
Co1 N3 C49 C51 -10.3(6) . . . . ?
Co1 N4 C61 C62 -1.8(5) . . . . ?
Co1 N4 C61 C60 -179.7(3) . . . . ?
Co1 N4 C58 C51 5.8(6) . . . . ?
Co1 N4 C58 C59 179.8(3) . . . . ?
P1 Co1 N1 C62 92.0(3) . . . . ?
P1 Co1 N1 C65 -89.0(4) . . . . ?
P1 Co1 N2 C26 90.7(3) . . . . ?
P1 Co1 N2 C28 -84.7(3) . . . . ?
P1 Co1 N3 C31 85.8(3) . . . . ?
P1 Co1 N3 C49 -83.7(3) . . . . ?
P1 Co1 N4 C61 -95.2(3) . . . . ?
P1 Co1 N4 C58 86.0(4) . . . . ?
P1 C13 C18 C17 178.4(4) . . . . ?
P1 C13 C14 C15 -177.4(4) . . . . ?
P1 C7 C11 C12 178.9(4) . . . . ?
P1 C7 C8 C9 -178.6(4) . . . . ?
P1 C1 C2 C3 -178.7(4) . . . . ?
P1 C1 C6 C5 178.4(4) . . . . ?
F1 C53 C52 C51 -0.6(6) . . . . ?
F1 C53 C52 C57 -179.7(4) . . . . ?
F1 C53 C54 F2 -1.3(6) . . . . ?
F1 C53 C54 C55 -179.8(4) . . . . ?
F5 C57 C56 F4 1.1(6) . . . . ?
F5 C57 C56 C55 178.3(4) . . . . ?
F10 C20 C21 F9 0.1(7) . . . . ?
F10 C20 C21 C22 -177.9(4) . . . . ?
F10 C20 C19 C25 -4.4(6) . . . . ?
F10 C20 C19 C24 177.6(4) . . . . ?
F8 C22 C23 F7 -0.7(8) . . . . ?
F8 C22 C23 C24 179.0(4) . . . . ?
F9 C21 C22 F8 1.3(7) . . . . ?
F9 C21 C22 C23 -179.1(5) . . . . ?
F6 C24 C23 F7 1.3(8) . . . . ?
F6 C24 C23 C22 -178.5(5) . . . . ?
N1 Co1 N2 C26 -8.5(4) . . . . ?
N1 Co1 N2 C28 176.1(3) . . . . ?
N1 Co1 N3 C31 -117.5(5) . . . . ?
N1 Co1 N3 C49 73.0(6) . . . . ?
N1 Co1 N4 C61 3.0(3) . . . . ?
N1 Co1 N4 C58 -175.8(4) . . . . ?
N1 C62 C61 N4 -1.2(5) . . . . ?
N1 C62 C61 C60 175.8(5) . . . . ?
N1 C62 C63 C64 -1.2(5) . . . . ?
N1 C65 C25 C26 -0.5(6) . . . . ?
N1 C65 C25 C19 -176.8(4) . . . . ?
N1 C65 C64 C63 1.9(5) . . . . ?
F2 C54 C55 F3 0.0(7) . . . . ?
F2 C54 C55 C56 -179.5(4) . . . . ?
N2 Co1 N1 C62 -167.3(3) . . . . ?
N2 Co1 N1 C65 11.7(4) . . . . ?
N2 Co1 N3 C31 -15.5(3) . . . . ?
N2 Co1 N3 C49 175.0(3) . . . . ?
N2 Co1 N4 C61 63.0(6) . . . . ?
N2 Co1 N4 C58 -115.8(5) . . . . ?
N2 C26 C27 C29 0.3(5) . . . . ?
N2 C28 C30 C32 176.0(4) . . . . ?
N2 C28 C30 C31 -4.7(7) . . . . ?
F3 C55 C56 F4 -0.7(7) . . . . ?
F3 C55 C56 C57 -177.8(4) . . . . ?
N3 Co1 N1 C62 -64.5(5) . . . . ?
N3 Co1 N1 C65 114.5(5) . . . . ?
N3 Co1 N2 C26 -170.3(3) . . . . ?
N3 Co1 N2 C28 14.3(3) . . . . ?
N3 Co1 N4 C61 166.8(3) . . . . ?
N3 Co1 N4 C58 -12.0(4) . . . . ?
N3 C31 C30 C32 -177.3(4) . . . . ?
N3 C31 C30 C28 3.3(7) . . . . ?
N3 C31 C48 C50 0.0(5) . . . . ?
N3 C49 C50 C48 0.8(5) . . . . ?
N3 C49 C51 C52 -178.5(4) . . . . ?
N3 C49 C51 C58 -0.6(7) . . . . ?
N4 Co1 N1 C62 -3.7(3) . . . . ?
N4 Co1 N1 C65 175.3(4) . . . . ?
N4 Co1 N2 C26 -67.3(6) . . . . ?
N4 Co1 N2 C28 117.4(5) . . . . ?
N4 Co1 N3 C31 -177.0(3) . . . . ?
N4 Co1 N3 C49 13.5(4) . . . . ?
N4 C61 C60 C59 0.1(6) . . . . ?
N4 C58 C51 C49 3.2(7) . . . . ?
N4 C58 C51 C52 -179.0(4) . . . . ?
N4 C58 C59 C60 -0.9(5) . . . . ?
C62 N1 C65 C25 170.1(4) . . . . ?
C62 N1 C65 C64 -2.7(5) . . . . ?
C62 C61 C60 C59 -177.0(5) . . . . ?
C62 C63 C64 C65 -0.4(5) . . . . ?
C36 C38 C41 C46 -35.8(5) . . . . ?
C36 C38 C41 C42 149.6(4) . . . . ?
C20 C21 C22 F8 179.3(4) . . . . ?
C20 C21 C22 C23 -1.1(7) . . . . ?
C20 C19 C24 F6 -179.5(4) . . . . ?
C20 C19 C24 C23 2.0(7) . . . . ?
C32 C33 C34 C35 -0.6(6) . . . . ?
C53 C52 C51 C49 64.3(6) . . . . ?
C53 C52 C51 C58 -113.7(5) . . . . ?
C53 C52 C57 F5 -179.5(4) . . . . ?
C53 C52 C57 C56 -0.1(6) . . . . ?
C53 C54 C55 F3 178.5(4) . . . . ?
C53 C54 C55 C56 -1.0(7) . . . . ?
C65 N1 C62 C61 -175.5(4) . . . . ?
C65 N1 C62 C63 2.4(5) . . . . ?
C65 C25 C26 N2 2.6(7) . . . . ?
C65 C25 C26 C27 -177.2(4) . . . . ?
C65 C25 C19 C20 105.9(5) . . . . ?
C65 C25 C19 C24 -76.2(6) . . . . ?
C37 O1 C46 C45 -149.1(4) . . . . ?
C37 O1 C46 C41 31.1(5) . . . . ?
C37 C36 C38 C41 36.2(5) . . . . ?
C37 C36 C38 C40 -79.7(5) . . . . ?
C37 C36 C38 C39 159.9(4) . . . . ?
C37 C36 C35 C34 1.6(6) . . . . ?
C37 C32 C33 C34 2.0(6) . . . . ?
C37 C32 C30 C31 -67.9(5) . . . . ?
C37 C32 C30 C28 111.5(4) . . . . ?
C61 N4 C58 C51 -173.0(4) . . . . ?
C61 N4 C58 C59 1.0(5) . . . . ?
C61 C62 C63 C64 175.9(5) . . . . ?
C13 P1 C7 C11 -5.7(4) . . . . ?
C13 P1 C7 C8 173.0(3) . . . . ?
C13 P1 C1 C2 71.8(4) . . . . ?
C13 P1 C1 C6 -105.3(4) . . . . ?
C13 C18 C17 C16 -1.0(7) . . . . ?
C13 C14 C15 C16 -1.0(7) . . . . ?
C25 C65 C64 C63 -169.5(5) . . . . ?
C25 C26 C27 C29 -179.8(4) . . . . ?
C25 C19 C24 F6 2.5(7) . . . . ?
C25 C19 C24 C23 -176.0(4) . . . . ?
C33 C32 C37 O1 179.4(3) . . . . ?
C33 C32 C37 C36 -1.7(6) . . . . ?
C33 C32 C30 C31 110.5(5) . . . . ?
C33 C32 C30 C28 -70.1(5) . . . . ?
C33 C34 C35 C36 -1.3(6) . . . . ?
C29 C28 C30 C32 -7.7(7) . . . . ?
C29 C28 C30 C31 171.6(4) . . . . ?
C26 N2 C28 C29 0.0(5) . . . . ?
C26 N2 C28 C30 176.9(4) . . . . ?
C26 C25 C19 C20 -70.6(5) . . . . ?
C26 C25 C19 C24 107.3(5) . . . . ?
C31 N3 C49 C50 -0.8(5) . . . . ?
C31 N3 C49 C51 178.6(4) . . . . ?
C31 C48 C50 C49 -0.5(5) . . . . ?
C21 C20 C19 C25 174.3(4) . . . . ?
C21 C20 C19 C24 -3.7(7) . . . . ?
C21 C22 C23 F7 179.7(5) . . . . ?
C21 C22 C23 C24 -0.5(8) . . . . ?
C63 C62 C61 N4 -178.2(5) . . . . ?
C63 C62 C61 C60 -1.2(10) . . . . ?
C28 N2 C26 C25 180.0(4) . . . . ?
C28 N2 C26 C27 -0.2(5) . . . . ?
C28 C29 C27 C26 -0.3(5) . . . . ?
C49 N3 C31 C30 -179.2(4) . . . . ?
C49 N3 C31 C48 0.5(5) . . . . ?
C30 C32 C37 O1 -2.1(5) . . . . ?
C30 C32 C37 C36 176.8(4) . . . . ?
C30 C32 C33 C34 -176.5(4) . . . . ?
C30 C31 C48 C50 179.7(4) . . . . ?
C52 C53 C54 F2 178.3(4) . . . . ?
C52 C53 C54 C55 -0.2(7) . . . . ?
C52 C57 C56 F4 -178.3(4) . . . . ?
C52 C57 C56 C55 -1.1(7) . . . . ?
C48 C31 C30 C32 3.1(7) . . . . ?
C48 C31 C30 C28 -176.3(4) . . . . ?
C50 C49 C51 C52 0.7(7) . . . . ?
C50 C49 C51 C58 178.6(4) . . . . ?
C58 N4 C61 C62 177.3(4) . . . . ?
C58 N4 C61 C60 -0.7(5) . . . . ?
C58 C59 C60 C61 0.5(6) . . . . ?
C54 C53 C52 C51 179.8(4) . . . . ?
C54 C53 C52 C57 0.8(6) . . . . ?
C54 C55 C56 F4 178.8(4) . . . . ?
C54 C55 C56 C57 1.7(7) . . . . ?
C38 C36 C37 O1 -5.4(6) . . . . ?
C38 C36 C37 C32 175.8(4) . . . . ?
C38 C36 C35 C34 -174.0(4) . . . . ?
C38 C41 C46 O1 4.2(6) . . . . ?
C38 C41 C46 C45 -175.6(4) . . . . ?
C38 C41 C42 C43 174.3(4) . . . . ?
C27 C29 C28 N2 0.2(5) . . . . ?
C27 C29 C28 C30 -176.6(4) . . . . ?
C64 C65 C25 C26 170.1(4) . . . . ?
C64 C65 C25 C19 -6.3(7) . . . . ?
C7 P1 C13 C18 -117.3(4) . . . . ?
C7 P1 C13 C14 62.6(4) . . . . ?
C7 P1 C1 C2 -178.1(4) . . . . ?
C7 P1 C1 C6 4.8(5) . . . . ?
C7 C11 C12 C10 -1.6(8) . . . . ?
C7 C8 C9 C10 0.9(8) . . . . ?
C51 C49 C50 C48 -178.6(4) . . . . ?
C51 C52 C57 F5 1.4(6) . . . . ?
C51 C52 C57 C56 -179.2(4) . . . . ?
C51 C58 C59 C60 172.1(5) . . . . ?
C59 C58 C51 C49 -169.1(5) . . . . ?
C59 C58 C51 C52 8.8(7) . . . . ?
C1 P1 C13 C18 -8.6(4) . . . . ?
C1 P1 C13 C14 171.3(4) . . . . ?
C1 P1 C7 C11 -114.8(4) . . . . ?
C1 P1 C7 C8 63.8(4) . . . . ?
C1 C2 C3 C4 0.7(8) . . . . ?
C1 C6 C5 C4 -0.4(9) . . . . ?
C35 C36 C37 O1 178.8(4) . . . . ?
C35 C36 C37 C32 -0.1(6) . . . . ?
C35 C36 C38 C41 -148.3(4) . . . . ?
C35 C36 C38 C40 95.8(5) . . . . ?
C35 C36 C38 C39 -24.6(6) . . . . ?
C19 C20 C21 F9 -178.6(4) . . . . ?
C19 C20 C21 C22 3.4(7) . . . . ?
C19 C25 C26 N2 179.0(4) . . . . ?
C19 C25 C26 C27 -0.8(6) . . . . ?
C19 C24 C23 F7 179.8(5) . . . . ?
C19 C24 C23 C22 0.1(8) . . . . ?
C45 C44 C43 C42 1.0(8) . . . . ?
C41 C42 C43 C44 0.3(8) . . . . ?
C18 C13 C14 C15 2.6(7) . . . . ?
C46 O1 C37 C36 -30.4(5) . . . . ?
C46 O1 C37 C32 148.5(4) . . . . ?
C46 C45 C44 C43 -2.0(7) . . . . ?
C46 C45 C47 O2 -177.8(4) . . . . ?
C46 C41 C42 C43 -0.5(7) . . . . ?
C44 C45 C46 O1 -178.0(4) . . . . ?
C44 C45 C46 C41 1.8(7) . . . . ?
C44 C45 C47 O2 1.2(7) . . . . ?
C11 C7 C8 C9 0.1(7) . . . . ?
C11 C12 C10 C9 2.6(8) . . . . ?
C47 C45 C46 O1 1.1(6) . . . . ?
C47 C45 C46 C41 -179.1(4) . . . . ?
C47 C45 C44 C43 178.9(4) . . . . ?
C57 C52 C51 C49 -116.7(5) . . . . ?
C57 C52 C51 C58 65.3(6) . . . . ?
C42 C41 C46 O1 179.2(4) . . . . ?
C42 C41 C46 C45 -0.5(6) . . . . ?
C8 C7 C11 C12 0.2(7) . . . . ?
C8 C9 C10 C12 -2.2(8) . . . . ?
C2 C1 C6 C5 1.3(8) . . . . ?
C2 C3 C4 C5 0.3(10) . . . . ?
C14 C13 C18 C17 -1.5(7) . . . . ?
C40 C38 C41 C46 80.9(5) . . . . ?
C40 C38 C41 C42 -93.7(5) . . . . ?
C15 C16 C17 C18 2.6(8) . . . . ?
C17 C16 C15 C14 -1.5(8) . . . . ?
C6 C1 C2 C3 -1.5(7) . . . . ?
C6 C5 C4 C3 -0.4(10) . . . . ?
C39 C38 C41 C46 -158.0(4) . . . . ?
C39 C38 C41 C42 27.3(6) . . . . ?

loop_
_platon_missing_refln_index_h
_platon_missing_refln_index_k
_platon_missing_refln_index_l
_platon_missing_refln_theta
1 0 0 2.302
1 1 0 2.417
0 2 0 1.475
0 1 1 1.178
0 2 1 1.738
2 3 1 5.243
0 0 2 1.837
1 0 2 3.029
2 0 2 5.061
3 0 2 7.266
0 1 2 1.980
0 3 2 2.876
2 0 4 6.067
3 0 4 8.035
3 2 4 8.171
-2 1 5 6.364
3 1 5 8.577
3 0 6 9.121
3 1 6 9.152
3 1 7 9.782
3 2 7 9.866
1 6 7 8.272

_platon_squeeze_details          
;
TITL 928co_0m_a.res in P2(1)/c
CELL    8.8638   27.6166   22.2046     90.00     93.37     90.00
SPGR P21/c
# Solvent Accessible Volume =       498
# Electrons Found in S.A.V. =        86
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.990 0.556 0.210 !       6.80 eA-3
C102 0.170 0.024 0.400 !       6.15 eA-3
C103 0.717 0.588 0.193 !       2.15 eA-3
C104 0.816 0.944 0.672 !       2.08 eA-3
Q105 0.428 0.187 0.805 !       0.73 eA-3
Q106 0.451 0.755 0.365 !       0.70 eA-3
Q107 0.575 0.756 0.460 !       0.70 eA-3
Q108 0.275 0.305 0.360 !       0.68 eA-3
Q109 0.236 0.289 0.337 !       0.64 eA-3
Q110 0.838 0.968 0.117 !       0.62 eA-3
Q111 0.951 0.104 0.945 !       0.62 eA-3
Q112 0.586 0.835 0.392 !       0.62 eA-3
Q113 0.294 0.331 0.546 !       0.56 eA-3
Q114 0.161 0.601 0.771 !       0.56 eA-3
Q115 0.218 0.461 0.698 !       0.55 eA-3
Q116 0.538 0.471 0.708 !       0.54 eA-3
Q117 0.819 0.975 0.231 !       0.54 eA-3
Q118 0.280 0.179 0.274 !       0.53 eA-3
Q119 0.608 0.357 0.493 !       0.53 eA-3
Q120 0.615 0.109 0.797 !       0.53 eA-3
Q121 0.051 0.345 0.235 !       0.53 eA-3
Q122 0.899 0.773 0.059 !       0.52 eA-3
Q123 0.320 0.852 0.640 !       0.52 eA-3
Q124 0.581 0.727 0.658 !       0.50 eA-3
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.109 0.046 0.315 126 22 ' '
2 -0.109 -0.046 0.685 126 22 ' '
3 0.109 0.454 0.815 125 22 ' '
4 -0.109 0.546 0.185 126 22 ' '

_platon_squeeze_void_probe_radius 1.20

_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_17cotbc_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2jgx1z
_database_code_depnum_ccdc_archive 'CCDC 2338021'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/d4cy00677a 2024
loop_
_audit_author_name
_audit_author_address
BPXFC-Co
;South China University of Technology
China
;
_audit_update_record             
;
2024-03-06 deposited with the CCDC.	2024-08-16 downloaded from the CCDC.
;
_audit_creation_date             2024-01-07
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2023.11.24 svn.r209d9fb2 for OlexSys, GUI svn.r6869)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H42 Co F10 N6 O3 P, C3 H7'
_chemical_formula_sum            'C75 H49 Co F10 N6 O3 P'
_chemical_formula_weight         1362.10
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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                   14.2830(3)
_cell_length_b                   31.7234(5)
_cell_length_c                   14.9263(2)
_cell_angle_alpha                90
_cell_angle_beta                 114.0410(10)
_cell_angle_gamma                90
_cell_volume                     6176.51(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    150
_cell_measurement_theta_max      65.049
_cell_measurement_theta_min      2.785
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.648
_exptl_absorpt_coefficient_mu    3.172
_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.4531
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1321 before and 0.0880 after correction.
The Ratio of minimum to maximum transmission is 0.6020.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2788
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0964
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            43901
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        65.205
_diffrn_reflns_theta_max         65.205
_diffrn_reflns_theta_min         2.786
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7544
_reflns_number_total             10407
_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       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     869
_refine_ls_number_reflns         10407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0804
_refine_ls_R_factor_gt           0.0515
_refine_ls_restrained_S_all      1.027
_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)+(0.0467P)²+2.2377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1272
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C74(H74A,H74B), C73(H73A,H73B)
2.b Aromatic/amide H refined with riding coordinates:
 N5(H5), C26(H26), C64(H64), C37(H37), C72(H72), C69(H69), C27(H27), C51(H51),
 C8(H8), C66(H66), C38(H38), C53(H53), C71(H71), C41(H41), C21(H21), C70(H70),
 C42(H42), C62(H62), C19(H19), C65(H65), C63(H63), C5(H5A), C20(H20), C56(H56),
 C68(H68), C12(H12), C6(H6), C2(H2), C11(H11), C4(H4), C10(H10), C60(H60),
 C58(H58), C57(H57), C59(H59)
2.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C75(H75A,H75B,H75C)
2.d Idealised tetrahedral OH refined as rotating group:
 O3(H3)
;
_atom_sites_solution_hydrogens   geom
_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 0.60627(4) 0.33577(2) 0.18132(4) 0.02162(14) Uani 1 1 d . . . . .
P1 P 0.55410(6) 0.36957(2) 0.03888(6) 0.02180(19) Uani 1 1 d . . . . .
F2 F 0.34506(14) 0.20035(6) 0.18276(14) 0.0401(5) Uani 1 1 d . . . . .
F5 F 0.31169(15) 0.26369(6) -0.11497(14) 0.0418(5) Uani 1 1 d . . . . .
O2 O 0.57253(16) 0.38306(6) 0.51031(15) 0.0275(5) Uani 1 1 d . . . . .
F6 F 0.97179(15) 0.39424(6) 0.47511(15) 0.0488(6) Uani 1 1 d . . . . .
F4 F 0.15599(15) 0.21100(7) -0.21372(14) 0.0472(6) Uani 1 1 d . . . . .
F1 F 0.18907(16) 0.14858(6) 0.08264(16) 0.0550(6) Uani 1 1 d . . . . .
F9 F 0.85931(16) 0.45507(7) 0.16127(15) 0.0526(6) Uani 1 1 d . . . . .
F3 F 0.09618(16) 0.15279(7) -0.11487(16) 0.0557(6) Uani 1 1 d . . . . .
F8 F 1.13721(17) 0.51334(7) 0.42523(18) 0.0606(7) Uani 1 1 d . . . . .
O1 O 1.01536(18) 0.28902(7) 0.64550(18) 0.0422(6) Uani 1 1 d . . . . .
F7 F 1.12062(17) 0.45287(8) 0.54527(16) 0.0634(7) Uani 1 1 d . . . . .
N4 N 0.59504(18) 0.28342(7) 0.12152(18) 0.0227(6) Uani 1 1 d . . . . .
N3 N 0.73913(18) 0.33123(7) 0.18822(18) 0.0234(6) Uani 1 1 d . . . . .
N2 N 0.65107(18) 0.37877(7) 0.27607(18) 0.0233(6) Uani 1 1 d . . . . .
N1 N 0.48508(18) 0.32474(7) 0.19817(18) 0.0228(6) Uani 1 1 d . . . . .
O3 O 1.0314(2) 0.17213(8) 0.31152(19) 0.0500(7) Uani 1 1 d . . . . .
H3 H 1.006271 0.179749 0.252499 0.075 Uiso 1 1 calc R U . . .
F10 F 1.00427(19) 0.51519(8) 0.23387(18) 0.0724(8) Uani 1 1 d . . . . .
N5 N 0.8773(2) 0.31664(8) 0.5225(2) 0.0319(7) Uani 1 1 d . . . . .
H5 H 0.837362 0.317766 0.459506 0.038 Uiso 1 1 calc R U . . .
N6 N 0.8591(2) 0.34165(8) 0.5890(2) 0.0303(7) Uani 1 1 d . . . . .
C52 C 0.4122(2) 0.29402(9) 0.1516(2) 0.0243(7) Uani 1 1 d . . . . .
C54 C 0.4460(2) 0.34878(9) 0.2534(2) 0.0234(7) Uani 1 1 d . . . . .
C25 C 0.5919(2) 0.39795(9) 0.3193(2) 0.0243(7) Uani 1 1 d . . . . .
C36 C 0.8227(2) 0.35774(9) 0.2216(2) 0.0259(7) Uani 1 1 d . . . . .
C43 C 0.5144(2) 0.25593(9) 0.0787(2) 0.0261(7) Uani 1 1 d . . . . .
C28 C 0.7410(2) 0.40174(9) 0.3043(2) 0.0255(7) Uani 1 1 d . . . . .
C29 C 0.8226(2) 0.39262(9) 0.2783(2) 0.0259(7) Uani 1 1 d . . . . .
C50 C 0.2995(2) 0.20403(10) 0.0846(2) 0.0306(8) Uani 1 1 d . . . . .
C45 C 0.3353(2) 0.23367(9) 0.0374(2) 0.0285(8) Uani 1 1 d . . . . .
C23 C 0.4867(2) 0.40801(9) 0.4641(2) 0.0261(7) Uani 1 1 d . . . . .
C22 C 0.4446(2) 0.40768(9) 0.3624(2) 0.0265(7) Uani 1 1 d . . . . .
C24 C 0.4954(2) 0.38366(9) 0.3086(2) 0.0252(7) Uani 1 1 d . . . . .
C44 C 0.4238(2) 0.26229(9) 0.0908(2) 0.0260(7) Uani 1 1 d . . . . .
C61 C 0.5961(2) 0.42448(9) 0.0448(2) 0.0233(7) Uani 1 1 d . . . . .
C39 C 0.7598(2) 0.29795(9) 0.1402(2) 0.0255(7) Uani 1 1 d . . . . .
C26 C 0.6467(2) 0.43356(9) 0.3746(2) 0.0289(8) Uani 1 1 d . . . . .
H26 H 0.623429 0.452302 0.410846 0.035 Uiso 1 1 calc R U . . .
C18 C 0.4469(2) 0.43164(9) 0.5192(2) 0.0274(7) Uani 1 1 d . . . . .
C40 C 0.6756(2) 0.27005(9) 0.1021(2) 0.0263(7) Uani 1 1 d . . . . .
C64 C 0.6460(3) 0.50968(10) 0.0511(3) 0.0328(8) Uani 1 1 d . . . . .
H64 H 0.664032 0.538623 0.053675 0.039 Uiso 1 1 calc R U . . .
C37 C 0.8987(2) 0.34010(10) 0.1931(2) 0.0296(8) Uani 1 1 d . . . . .
H37 H 0.964380 0.351701 0.206557 0.036 Uiso 1 1 calc R U . . .
C3 C 0.9748(2) 0.26128(10) 0.4866(2) 0.0283(8) Uani 1 1 d . . . . .
C55 C 0.4156(2) 0.37573(9) -0.0303(2) 0.0269(8) Uani 1 1 d . . . . .
C14 C 0.6448(2) 0.39853(9) 0.5986(2) 0.0267(7) Uani 1 1 d . . . . .
C72 C 0.5399(3) 0.31144(9) -0.1073(2) 0.0289(8) Uani 1 1 d . . . . .
H72 H 0.474994 0.304335 -0.108002 0.035 Uiso 1 1 calc R U . . .
C67 C 0.5985(2) 0.34341(9) -0.0450(2) 0.0241(7) Uani 1 1 d . . . . .
C7 C 0.9596(2) 0.28996(10) 0.5578(3) 0.0307(8) Uani 1 1 d . . . . .
C69 C 0.6955(2) 0.35154(10) -0.0428(2) 0.0299(8) Uani 1 1 d . . . . .
H69 H 0.738295 0.371889 0.001828 0.036 Uiso 1 1 calc R U . . .
C9 C 0.7468(3) 0.38770(9) 0.6227(2) 0.0296(8) Uani 1 1 d . . . . .
C30 C 0.9115(2) 0.42219(9) 0.3159(2) 0.0277(8) Uani 1 1 d . . . . .
C27 C 0.7374(2) 0.43588(9) 0.3663(2) 0.0297(8) Uani 1 1 d . . . . .
H27 H 0.789400 0.456376 0.396018 0.036 Uiso 1 1 calc R U . . .
C51 C 0.3277(2) 0.29917(10) 0.1783(2) 0.0292(8) Uani 1 1 d . . . . .
H51 H 0.267383 0.282369 0.155940 0.035 Uiso 1 1 calc R U . . .
C15 C 0.4980(3) 0.42707(10) 0.6301(2) 0.0325(8) Uani 1 1 d . . . . .
C8 C 0.7742(3) 0.36167(10) 0.5558(2) 0.0303(8) Uani 1 1 d . . . . .
H8 H 0.729076 0.359687 0.488456 0.036 Uiso 1 1 calc R U . . .
C13 C 0.6131(3) 0.42230(9) 0.6596(2) 0.0298(8) Uani 1 1 d . . . . .
C66 C 0.5927(2) 0.45049(9) 0.1182(2) 0.0288(8) Uani 1 1 d . . . . .
H66 H 0.572465 0.439273 0.166547 0.035 Uiso 1 1 calc R U . . .
C49 C 0.2197(3) 0.17732(10) 0.0344(3) 0.0349(9) Uani 1 1 d . . . . .
C38 C 0.8601(2) 0.30371(10) 0.1434(2) 0.0304(8) Uani 1 1 d . . . . .
H38 H 0.893935 0.285427 0.115830 0.036 Uiso 1 1 calc R U . . .
C53 C 0.3483(2) 0.33220(9) 0.2412(2) 0.0286(8) Uani 1 1 d . . . . .
H53 H 0.305734 0.342436 0.271441 0.034 Uiso 1 1 calc R U . . .
C71 C 0.5756(3) 0.29004(10) -0.1681(2) 0.0348(9) Uani 1 1 d . . . . .
H71 H 0.534849 0.268525 -0.210253 0.042 Uiso 1 1 calc R U . . .
C1 C 1.0120(3) 0.20190(10) 0.3669(3) 0.0371(9) Uani 1 1 d . . . . .
C41 C 0.6471(3) 0.23241(9) 0.0460(2) 0.0301(8) Uani 1 1 d . . . . .
H41 H 0.689015 0.216323 0.023087 0.036 Uiso 1 1 calc R U . . .
C21 C 0.3570(3) 0.43203(10) 0.3139(3) 0.0339(8) Uani 1 1 d . . . . .
H21 H 0.325631 0.432143 0.244202 0.041 Uiso 1 1 calc R U . . .
C31 C 0.9794(2) 0.42310(10) 0.4128(3) 0.0331(8) Uani 1 1 d . . . . .
C70 C 0.6695(3) 0.29969(12) -0.1678(3) 0.0418(9) Uani 1 1 d . . . . .
H70 H 0.692614 0.285332 -0.210845 0.050 Uiso 1 1 calc R U . . .
C47 C 0.2038(3) 0.20904(10) -0.1158(2) 0.0330(8) Uani 1 1 d . . . . .
C42 C 0.5479(3) 0.22358(9) 0.0310(2) 0.0314(8) Uani 1 1 d . . . . .
H42 H 0.508416 0.200262 -0.004445 0.038 Uiso 1 1 calc R U . . .
C33 C 1.0641(3) 0.48369(11) 0.3893(3) 0.0407(9) Uani 1 1 d . . . . .
C62 C 0.6221(2) 0.44204(9) -0.0269(2) 0.0309(8) Uani 1 1 d . . . . .
H62 H 0.622700 0.424896 -0.078811 0.037 Uiso 1 1 calc R U . . .
C46 C 0.2837(2) 0.23528(9) -0.0635(2) 0.0289(8) Uani 1 1 d . . . . .
C19 C 0.3608(3) 0.45597(10) 0.4676(3) 0.0346(8) Uani 1 1 d . . . . .
H19 H 0.332398 0.472923 0.502785 0.042 Uiso 1 1 calc R U . . .
C65 C 0.6187(3) 0.49272(10) 0.1213(3) 0.0331(8) Uani 1 1 d . . . . .
H65 H 0.617473 0.510076 0.172715 0.040 Uiso 1 1 calc R U . . .
C35 C 0.9233(3) 0.45359(11) 0.2564(3) 0.0364(9) Uani 1 1 d . . . . .
C63 C 0.6472(3) 0.48427(10) -0.0237(3) 0.0345(8) Uani 1 1 d . . . . .
H63 H 0.665281 0.495875 -0.073104 0.041 Uiso 1 1 calc R U . . .
C16 C 0.4735(3) 0.46386(11) 0.6829(3) 0.0438(10) Uani 1 1 d . . . . .
H16A H 0.504739 0.458820 0.753775 0.066 Uiso 1 1 calc R U . . .
H16B H 0.399075 0.466430 0.660554 0.066 Uiso 1 1 calc R U . . .
H16C H 0.501117 0.489974 0.668094 0.066 Uiso 1 1 calc R U . . .
C32 C 1.0560(3) 0.45302(11) 0.4504(3) 0.0390(9) Uani 1 1 d . . . . .
C5 C 0.9218(3) 0.26226(11) 0.3858(3) 0.0411(9) Uani 1 1 d . . . . .
H5A H 0.872059 0.283661 0.356900 0.049 Uiso 1 1 calc R U . . .
C48 C 0.1722(3) 0.17956(10) -0.0654(3) 0.0375(9) Uani 1 1 d . . . . .
C20 C 0.3155(3) 0.45599(11) 0.3660(3) 0.0384(9) Uani 1 1 d . . . . .
H20 H 0.255950 0.472478 0.332198 0.046 Uiso 1 1 calc R U . . .
C34 C 0.9978(3) 0.48430(11) 0.2927(3) 0.0447(10) Uani 1 1 d . . . . .
C56 C 0.3497(3) 0.37941(10) 0.0156(3) 0.0416(10) Uani 1 1 d . . . . .
H56 H 0.375305 0.376318 0.084783 0.050 Uiso 1 1 calc R U . . .
C68 C 0.7307(3) 0.33044(11) -0.1047(3) 0.0381(9) Uani 1 1 d . . . . .
H68 H 0.795943 0.336961 -0.103833 0.046 Uiso 1 1 calc R U . . .
C12 C 0.6887(3) 0.43691(10) 0.7457(3) 0.0386(9) Uani 1 1 d . . . . .
H12 H 0.670177 0.454212 0.787860 0.046 Uiso 1 1 calc R U . . .
C6 C 0.9393(3) 0.23300(11) 0.3261(3) 0.0416(9) Uani 1 1 d . . . . .
H6 H 0.901399 0.234213 0.257060 0.050 Uiso 1 1 calc R U . . .
C2 C 1.0660(3) 0.20039(12) 0.4672(3) 0.0452(10) Uani 1 1 d . . . . .
H2 H 1.116179 0.179114 0.495752 0.054 Uiso 1 1 calc R U . . .
C17 C 0.4601(3) 0.38545(11) 0.6584(3) 0.0430(9) Uani 1 1 d . . . . .
H17A H 0.472796 0.361973 0.622137 0.065 Uiso 1 1 calc R U . . .
H17B H 0.386456 0.387503 0.641941 0.065 Uiso 1 1 calc R U . . .
H17C H 0.497069 0.380532 0.729013 0.065 Uiso 1 1 calc R U . . .
C11 C 0.7911(3) 0.42698(11) 0.7724(3) 0.0438(10) Uani 1 1 d . . . . .
H11 H 0.841617 0.437248 0.832442 0.053 Uiso 1 1 calc R U . . .
C4 C 1.0475(3) 0.22956(11) 0.5262(3) 0.0425(10) Uani 1 1 d . . . . .
H4 H 1.084941 0.228034 0.595290 0.051 Uiso 1 1 calc R U . . .
C10 C 0.8200(3) 0.40213(11) 0.7116(3) 0.0398(9) Uani 1 1 d . . . . .
H10 H 0.890029 0.394899 0.730825 0.048 Uiso 1 1 calc R U . . .
C60 C 0.3755(3) 0.38150(12) -0.1315(3) 0.0489(11) Uani 1 1 d . . . . .
H60 H 0.419650 0.379597 -0.164749 0.059 Uiso 1 1 calc R U . . .
C58 C 0.2084(3) 0.39245(11) -0.1378(4) 0.0621(15) Uani 1 1 d . . . . .
H58 H 0.137394 0.397588 -0.174569 0.074 Uiso 1 1 calc R U . . .
C57 C 0.2459(3) 0.38759(12) -0.0381(4) 0.0602(14) Uani 1 1 d . . . . .
H57 H 0.201187 0.389812 -0.005521 0.072 Uiso 1 1 calc R U . . .
C59 C 0.2728(3) 0.38992(13) -0.1842(3) 0.0636(14) Uani 1 1 d . . . . .
H59 H 0.246988 0.393958 -0.253197 0.076 Uiso 1 1 calc R U . . .
C74 C 1.0905(6) 0.4572(2) 0.0822(5) 0.120(2) Uani 1 1 d . . . . .
H74A H 1.145492 0.457683 0.057868 0.145 Uiso 1 1 calc R U . . .
H74B H 1.115342 0.472592 0.145331 0.145 Uiso 1 1 calc R U . . .
C73 C 0.9944(7) 0.4789(3) 0.0076(5) 0.159(4) Uani 1 1 d . . . . .
H73A H 0.972894 0.464041 -0.055914 0.190 Uiso 1 1 calc R U . . .
H73B H 0.938465 0.475867 0.030194 0.190 Uiso 1 1 calc R U . . .
C75 C 1.0664(6) 0.4126(3) 0.0974(7) 0.153(3) Uani 1 1 d . . . . .
H75A H 1.028641 0.399202 0.033615 0.230 Uiso 1 1 calc R U . . .
H75B H 1.024322 0.412266 0.135420 0.230 Uiso 1 1 calc R U . . .
H75C H 1.130275 0.397219 0.133143 0.230 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P1 2.2213(9) . ?
Co1 N4 1.861(2) . ?
Co1 N3 1.864(3) . ?
Co1 N2 1.880(2) . ?
Co1 N1 1.881(3) . ?
P1 C61 1.833(3) . ?
P1 C55 1.831(3) . ?
P1 C67 1.817(3) . ?
F2 C50 1.345(4) . ?
F5 C46 1.346(4) . ?
O2 C23 1.385(4) . ?
O2 C14 1.392(4) . ?
F6 C31 1.341(4) . ?
F4 C47 1.340(4) . ?
F1 C49 1.341(4) . ?
F9 C35 1.341(4) . ?
F3 C48 1.339(4) . ?
F8 C33 1.344(4) . ?
O1 C7 1.225(4) . ?
F7 C32 1.338(4) . ?
N4 C43 1.377(4) . ?
N4 C40 1.364(4) . ?
N3 C36 1.377(4) . ?
N3 C39 1.374(4) . ?
N2 C25 1.394(4) . ?
N2 C28 1.385(4) . ?
N1 C52 1.388(4) . ?
N1 C54 1.396(4) . ?
O3 H3 0.8400 . ?
O3 C1 1.356(4) . ?
F10 C34 1.344(4) . ?
N5 H5 0.8800 . ?
N5 N6 1.375(4) . ?
N5 C7 1.368(4) . ?
N6 C8 1.277(4) . ?
C52 C44 1.410(4) . ?
C52 C51 1.427(4) . ?
C54 C24 1.388(4) . ?
C54 C53 1.433(4) . ?
C25 C24 1.397(4) . ?
C25 C26 1.430(4) . ?
C36 C29 1.394(4) . ?
C36 C37 1.430(4) . ?
C43 C44 1.392(5) . ?
C43 C42 1.437(4) . ?
C28 C29 1.400(4) . ?
C28 C27 1.439(4) . ?
C29 C30 1.493(4) . ?
C50 C45 1.390(5) . ?
C50 C49 1.372(4) . ?
C45 C44 1.496(4) . ?
C45 C46 1.382(4) . ?
C23 C22 1.387(5) . ?
C23 C18 1.392(4) . ?
C22 C24 1.493(4) . ?
C22 C21 1.395(4) . ?
C61 C66 1.387(4) . ?
C61 C62 1.385(5) . ?
C39 C40 1.413(4) . ?
C39 C38 1.425(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.354(5) . ?
C18 C15 1.521(5) . ?
C18 C19 1.389(4) . ?
C40 C41 1.419(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.370(5) . ?
C64 C63 1.382(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.362(4) . ?
C3 C7 1.480(5) . ?
C3 C5 1.382(5) . ?
C3 C4 1.392(4) . ?
C55 C56 1.377(5) . ?
C55 C60 1.392(5) . ?
C14 C9 1.393(5) . ?
C14 C13 1.392(5) . ?
C72 H72 0.9500 . ?
C72 C67 1.400(4) . ?
C72 C71 1.386(5) . ?
C67 C69 1.397(4) . ?
C69 H69 0.9500 . ?
C69 C68 1.390(5) . ?
C9 C8 1.466(5) . ?
C9 C10 1.391(5) . ?
C30 C31 1.375(4) . ?
C30 C35 1.389(5) . ?
C27 H27 0.9500 . ?
C51 H51 0.9500 . ?
C51 C53 1.356(4) . ?
C15 C13 1.527(5) . ?
C15 C16 1.525(5) . ?
C15 C17 1.549(5) . ?
C8 H8 0.9500 . ?
C13 C12 1.379(5) . ?
C66 H66 0.9500 . ?
C66 C65 1.386(4) . ?
C49 C48 1.364(5) . ?
C38 H38 0.9500 . ?
C53 H53 0.9500 . ?
C71 H71 0.9500 . ?
C71 C70 1.374(5) . ?
C1 C6 1.381(5) . ?
C1 C2 1.377(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.370(5) . ?
C21 H21 0.9500 . ?
C21 C20 1.383(5) . ?
C31 C32 1.382(5) . ?
C70 H70 0.9500 . ?
C70 C68 1.390(5) . ?
C47 C46 1.370(4) . ?
C47 C48 1.385(5) . ?
C42 H42 0.9500 . ?
C33 C32 1.371(5) . ?
C33 C34 1.365(5) . ?
C62 H62 0.9500 . ?
C62 C63 1.382(4) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(5) . ?
C65 H65 0.9500 . ?
C35 C34 1.380(5) . ?
C63 H63 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C5 H5A 0.9500 . ?
C5 C6 1.378(5) . ?
C20 H20 0.9500 . ?
C56 H56 0.9500 . ?
C56 C57 1.392(5) . ?
C68 H68 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.387(5) . ?
C6 H6 0.9500 . ?
C2 H2 0.9500 . ?
C2 C4 1.375(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C10 1.385(5) . ?
C4 H4 0.9500 . ?
C10 H10 0.9500 . ?
C60 H60 0.9500 . ?
C60 C59 1.379(5) . ?
C58 H58 0.9500 . ?
C58 C57 1.370(7) . ?
C58 C59 1.362(6) . ?
C57 H57 0.9500 . ?
C59 H59 0.9500 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C73 1.534(11) . ?
C74 C75 1.495(9) . ?
C73 C73 1.375(14) 3_765 ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?

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
N4 Co1 P1 92.41(8) . . ?
N4 Co1 N3 81.04(11) . . ?
N4 Co1 N2 160.88(11) . . ?
N4 Co1 N1 89.66(11) . . ?
N3 Co1 P1 91.56(8) . . ?
N3 Co1 N2 89.29(11) . . ?
N3 Co1 N1 161.84(10) . . ?
N2 Co1 P1 104.39(8) . . ?
N2 Co1 N1 94.83(11) . . ?
N1 Co1 P1 104.46(8) . . ?
C61 P1 Co1 115.90(10) . . ?
C55 P1 Co1 117.09(12) . . ?
C55 P1 C61 100.55(13) . . ?
C67 P1 Co1 111.33(10) . . ?
C67 P1 C61 105.56(14) . . ?
C67 P1 C55 105.06(15) . . ?
C23 O2 C14 115.8(2) . . ?
C43 N4 Co1 132.9(2) . . ?
C40 N4 Co1 117.66(19) . . ?
C40 N4 C43 108.8(2) . . ?
C36 N3 Co1 133.3(2) . . ?
C39 N3 Co1 117.5(2) . . ?
C39 N3 C36 108.6(3) . . ?
C25 N2 Co1 125.45(19) . . ?
C28 N2 Co1 126.9(2) . . ?
C28 N2 C25 106.9(2) . . ?
C52 N1 Co1 127.4(2) . . ?
C52 N1 C54 106.3(3) . . ?
C54 N1 Co1 126.05(19) . . ?
C1 O3 H3 109.5 . . ?
N6 N5 H5 121.1 . . ?
C7 N5 H5 121.1 . . ?
C7 N5 N6 117.7(3) . . ?
C8 N6 N5 115.9(3) . . ?
N1 C52 C44 124.2(3) . . ?
N1 C52 C51 109.1(3) . . ?
C44 C52 C51 126.6(3) . . ?
N1 C54 C53 109.1(3) . . ?
C24 C54 N1 123.9(3) . . ?
C24 C54 C53 127.0(3) . . ?
N2 C25 C24 124.1(3) . . ?
N2 C25 C26 108.7(3) . . ?
C24 C25 C26 127.2(3) . . ?
N3 C36 C29 119.2(3) . . ?
N3 C36 C37 107.7(3) . . ?
C29 C36 C37 132.9(3) . . ?
N4 C43 C44 119.6(3) . . ?
N4 C43 C42 107.3(3) . . ?
C44 C43 C42 133.0(3) . . ?
N2 C28 C29 125.5(3) . . ?
N2 C28 C27 108.7(3) . . ?
C29 C28 C27 125.8(3) . . ?
C36 C29 C28 122.7(3) . . ?
C36 C29 C30 121.0(3) . . ?
C28 C29 C30 116.3(3) . . ?
F2 C50 C45 119.8(3) . . ?
F2 C50 C49 117.8(3) . . ?
C49 C50 C45 122.4(3) . . ?
C50 C45 C44 123.1(3) . . ?
C46 C45 C50 115.7(3) . . ?
C46 C45 C44 121.2(3) . . ?
O2 C23 C22 116.2(3) . . ?
O2 C23 C18 120.4(3) . . ?
C22 C23 C18 123.4(3) . . ?
C23 C22 C24 120.3(3) . . ?
C23 C22 C21 117.5(3) . . ?
C21 C22 C24 122.1(3) . . ?
C54 C24 C25 124.4(3) . . ?
C54 C24 C22 119.0(3) . . ?
C25 C24 C22 116.5(3) . . ?
C52 C44 C45 118.7(3) . . ?
C43 C44 C52 123.1(3) . . ?
C43 C44 C45 118.2(3) . . ?
C66 C61 P1 119.2(2) . . ?
C62 C61 P1 122.0(2) . . ?
C62 C61 C66 118.5(3) . . ?
N3 C39 C40 111.3(3) . . ?
N3 C39 C38 108.1(3) . . ?
C40 C39 C38 140.6(3) . . ?
C25 C26 H26 126.0 . . ?
C27 C26 C25 108.0(3) . . ?
C27 C26 H26 126.0 . . ?
C23 C18 C15 117.5(3) . . ?
C19 C18 C23 117.0(3) . . ?
C19 C18 C15 125.4(3) . . ?
N4 C40 C39 111.9(3) . . ?
N4 C40 C41 108.8(3) . . ?
C39 C40 C41 139.2(3) . . ?
C65 C64 H64 120.3 . . ?
C65 C64 C63 119.3(3) . . ?
C63 C64 H64 120.3 . . ?
C36 C37 H37 126.1 . . ?
C38 C37 C36 107.8(3) . . ?
C38 C37 H37 126.1 . . ?
C5 C3 C7 126.3(3) . . ?
C5 C3 C4 117.5(3) . . ?
C4 C3 C7 116.2(3) . . ?
C56 C55 P1 122.0(3) . . ?
C56 C55 C60 117.8(3) . . ?
C60 C55 P1 119.9(3) . . ?
O2 C14 C9 116.8(3) . . ?
O2 C14 C13 119.8(3) . . ?
C13 C14 C9 123.3(3) . . ?
C67 C72 H72 119.7 . . ?
C71 C72 H72 119.7 . . ?
C71 C72 C67 120.7(3) . . ?
C72 C67 P1 120.5(3) . . ?
C69 C67 P1 121.4(2) . . ?
C69 C67 C72 117.9(3) . . ?
O1 C7 N5 120.6(3) . . ?
O1 C7 C3 122.0(3) . . ?
N5 C7 C3 117.3(3) . . ?
C67 C69 H69 119.3 . . ?
C68 C69 C67 121.3(3) . . ?
C68 C69 H69 119.3 . . ?
C14 C9 C8 120.3(3) . . ?
C10 C9 C14 117.7(3) . . ?
C10 C9 C8 122.0(3) . . ?
C31 C30 C29 122.4(3) . . ?
C31 C30 C35 116.1(3) . . ?
C35 C30 C29 121.1(3) . . ?
C28 C27 H27 126.1 . . ?
C26 C27 C28 107.7(3) . . ?
C26 C27 H27 126.1 . . ?
C52 C51 H51 125.9 . . ?
C53 C51 C52 108.2(3) . . ?
C53 C51 H51 125.9 . . ?
C18 C15 C13 107.8(3) . . ?
C18 C15 C16 112.3(3) . . ?
C18 C15 C17 108.2(3) . . ?
C13 C15 C17 107.0(3) . . ?
C16 C15 C13 111.9(3) . . ?
C16 C15 C17 109.4(3) . . ?
N6 C8 C9 119.4(3) . . ?
N6 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C14 C13 C15 117.7(3) . . ?
C12 C13 C14 116.8(3) . . ?
C12 C13 C15 125.3(3) . . ?
C61 C66 H66 119.8 . . ?
C65 C66 C61 120.5(3) . . ?
C65 C66 H66 119.8 . . ?
F1 C49 C50 120.5(3) . . ?
F1 C49 C48 119.7(3) . . ?
C48 C49 C50 119.8(3) . . ?
C39 C38 H38 126.1 . . ?
C37 C38 C39 107.8(3) . . ?
C37 C38 H38 126.1 . . ?
C54 C53 H53 126.3 . . ?
C51 C53 C54 107.3(3) . . ?
C51 C53 H53 126.3 . . ?
C72 C71 H71 119.7 . . ?
C70 C71 C72 120.5(3) . . ?
C70 C71 H71 119.7 . . ?
O3 C1 C6 122.1(3) . . ?
O3 C1 C2 118.4(3) . . ?
C2 C1 C6 119.4(3) . . ?
C40 C41 H41 126.4 . . ?
C42 C41 C40 107.3(3) . . ?
C42 C41 H41 126.4 . . ?
C22 C21 H21 119.6 . . ?
C20 C21 C22 120.7(3) . . ?
C20 C21 H21 119.6 . . ?
F6 C31 C30 119.6(3) . . ?
F6 C31 C32 117.4(3) . . ?
C30 C31 C32 123.0(3) . . ?
C71 C70 H70 119.9 . . ?
C71 C70 C68 120.1(3) . . ?
C68 C70 H70 119.9 . . ?
F4 C47 C46 121.9(3) . . ?
F4 C47 C48 119.3(3) . . ?
C46 C47 C48 118.7(3) . . ?
C43 C42 H42 126.1 . . ?
C41 C42 C43 107.7(3) . . ?
C41 C42 H42 126.1 . . ?
F8 C33 C32 119.6(3) . . ?
F8 C33 C34 120.2(3) . . ?
C34 C33 C32 120.2(3) . . ?
C61 C62 H62 119.7 . . ?
C63 C62 C61 120.7(3) . . ?
C63 C62 H62 119.7 . . ?
F5 C46 C45 119.8(3) . . ?
F5 C46 C47 117.0(3) . . ?
C47 C46 C45 123.2(3) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 C18 121.3(3) . . ?
C20 C19 H19 119.4 . . ?
C64 C65 C66 120.6(3) . . ?
C64 C65 H65 119.7 . . ?
C66 C65 H65 119.7 . . ?
F9 C35 C30 119.6(3) . . ?
F9 C35 C34 118.4(3) . . ?
C34 C35 C30 122.0(3) . . ?
C64 C63 C62 120.3(3) . . ?
C64 C63 H63 119.8 . . ?
C62 C63 H63 119.8 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F7 C32 C31 121.2(3) . . ?
F7 C32 C33 119.8(3) . . ?
C33 C32 C31 118.9(3) . . ?
C3 C5 H5A 119.1 . . ?
C6 C5 C3 121.7(3) . . ?
C6 C5 H5A 119.1 . . ?
F3 C48 C49 120.0(3) . . ?
F3 C48 C47 119.9(3) . . ?
C49 C48 C47 120.1(3) . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
F10 C34 C33 119.9(3) . . ?
F10 C34 C35 120.4(3) . . ?
C33 C34 C35 119.7(4) . . ?
C55 C56 H56 119.6 . . ?
C55 C56 C57 120.9(4) . . ?
C57 C56 H56 119.6 . . ?
C69 C68 H68 120.3 . . ?
C70 C68 C69 119.4(3) . . ?
C70 C68 H68 120.3 . . ?
C13 C12 H12 119.2 . . ?
C13 C12 C11 121.7(3) . . ?
C11 C12 H12 119.2 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 C1 119.8(3) . . ?
C5 C6 H6 120.1 . . ?
C1 C2 H2 119.9 . . ?
C4 C2 C1 120.3(3) . . ?
C4 C2 H2 119.9 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.1(3) . . ?
C10 C11 H11 119.9 . . ?
C3 C4 H4 119.4 . . ?
C2 C4 C3 121.3(3) . . ?
C2 C4 H4 119.4 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10 119.9 . . ?
C55 C60 H60 119.4 . . ?
C59 C60 C55 121.1(4) . . ?
C59 C60 H60 119.4 . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C59 C58 C57 120.0(4) . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.0(4) . . ?
C58 C57 H57 120.0 . . ?
C60 C59 H59 119.9 . . ?
C58 C59 C60 120.2(4) . . ?
C58 C59 H59 119.9 . . ?
H74A C74 H74B 108.2 . . ?
C73 C74 H74A 109.7 . . ?
C73 C74 H74B 109.7 . . ?
C75 C74 H74A 109.7 . . ?
C75 C74 H74B 109.7 . . ?
C75 C74 C73 110.0(7) . . ?
C74 C73 H73A 108.5 . . ?
C74 C73 H73B 108.5 . . ?
C73 C73 C74 115.2(9) 3_765 . ?
C73 C73 H73A 108.5 3_765 . ?
C73 C73 H73B 108.5 3_765 . ?
H73A C73 H73B 107.5 . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 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 P1 C61 C66 -42.9(3) . . . . ?
Co1 P1 C61 C62 143.3(2) . . . . ?
Co1 P1 C55 C56 31.3(3) . . . . ?
Co1 P1 C55 C60 -155.8(2) . . . . ?
Co1 P1 C67 C72 88.5(2) . . . . ?
Co1 P1 C67 C69 -85.3(3) . . . . ?
Co1 N4 C43 C44 -11.6(5) . . . . ?
Co1 N4 C43 C42 170.9(2) . . . . ?
Co1 N4 C40 C39 5.3(3) . . . . ?
Co1 N4 C40 C41 -172.8(2) . . . . ?
Co1 N3 C36 C29 13.7(5) . . . . ?
Co1 N3 C36 C37 -170.5(2) . . . . ?
Co1 N3 C39 C40 -6.5(3) . . . . ?
Co1 N3 C39 C38 172.1(2) . . . . ?
Co1 N2 C25 C24 9.7(4) . . . . ?
Co1 N2 C25 C26 -170.4(2) . . . . ?
Co1 N2 C28 C29 -10.6(4) . . . . ?
Co1 N2 C28 C27 170.6(2) . . . . ?
Co1 N1 C52 C44 7.6(4) . . . . ?
Co1 N1 C52 C51 -174.3(2) . . . . ?
Co1 N1 C54 C24 -3.4(4) . . . . ?
Co1 N1 C54 C53 175.1(2) . . . . ?
P1 Co1 N4 C43 -85.4(3) . . . . ?
P1 Co1 N4 C40 84.2(2) . . . . ?
P1 Co1 N3 C36 84.9(3) . . . . ?
P1 Co1 N3 C39 -84.8(2) . . . . ?
P1 Co1 N2 C25 94.2(2) . . . . ?
P1 Co1 N2 C28 -74.7(2) . . . . ?
P1 Co1 N1 C52 76.3(2) . . . . ?
P1 Co1 N1 C54 -97.0(2) . . . . ?
P1 C61 C66 C65 -176.5(2) . . . . ?
P1 C61 C62 C63 175.8(2) . . . . ?
P1 C55 C56 C57 174.6(3) . . . . ?
P1 C55 C60 C59 -174.2(3) . . . . ?
P1 C67 C69 C68 177.7(2) . . . . ?
F2 C50 C45 C44 0.3(5) . . . . ?
F2 C50 C45 C46 -179.9(3) . . . . ?
F2 C50 C49 F1 -0.1(5) . . . . ?
F2 C50 C49 C48 -179.1(3) . . . . ?
O2 C23 C22 C24 -3.9(4) . . . . ?
O2 C23 C22 C21 179.1(3) . . . . ?
O2 C23 C18 C15 -3.1(4) . . . . ?
O2 C23 C18 C19 179.9(3) . . . . ?
O2 C14 C9 C8 0.8(4) . . . . ?
O2 C14 C9 C10 -178.7(3) . . . . ?
O2 C14 C13 C15 5.2(4) . . . . ?
O2 C14 C13 C12 -179.6(3) . . . . ?
F6 C31 C32 F7 0.7(5) . . . . ?
F6 C31 C32 C33 -178.2(3) . . . . ?
F4 C47 C46 F5 0.7(5) . . . . ?
F4 C47 C46 C45 -179.2(3) . . . . ?
F4 C47 C48 F3 1.5(5) . . . . ?
F4 C47 C48 C49 -179.6(3) . . . . ?
F1 C49 C48 F3 -0.8(5) . . . . ?
F1 C49 C48 C47 -179.7(3) . . . . ?
F9 C35 C34 F10 1.1(6) . . . . ?
F9 C35 C34 C33 179.9(3) . . . . ?
F8 C33 C32 F7 0.2(6) . . . . ?
F8 C33 C32 C31 179.1(3) . . . . ?
F8 C33 C34 F10 -1.5(6) . . . . ?
F8 C33 C34 C35 179.7(3) . . . . ?
N4 Co1 N3 C36 177.1(3) . . . . ?
N4 Co1 N3 C39 7.4(2) . . . . ?
N4 Co1 N2 C25 -115.1(4) . . . . ?
N4 Co1 N2 C28 76.0(4) . . . . ?
N4 Co1 N1 C52 -16.1(2) . . . . ?
N4 Co1 N1 C54 170.6(2) . . . . ?
N4 C43 C44 C52 -5.0(5) . . . . ?
N4 C43 C44 C45 175.7(3) . . . . ?
N4 C43 C42 C41 -0.2(4) . . . . ?
N4 C40 C41 C42 0.7(4) . . . . ?
N3 Co1 N4 C43 -176.6(3) . . . . ?
N3 Co1 N4 C40 -7.0(2) . . . . ?
N3 Co1 N2 C25 -174.4(2) . . . . ?
N3 Co1 N2 C28 16.7(2) . . . . ?
N3 Co1 N1 C52 -74.9(4) . . . . ?
N3 Co1 N1 C54 111.8(4) . . . . ?
N3 C36 C29 C28 0.9(5) . . . . ?
N3 C36 C29 C30 -179.9(3) . . . . ?
N3 C36 C37 C38 0.2(4) . . . . ?
N3 C39 C40 N4 0.7(4) . . . . ?
N3 C39 C40 C41 177.9(4) . . . . ?
N3 C39 C38 C37 0.1(4) . . . . ?
N2 Co1 N4 C43 122.9(4) . . . . ?
N2 Co1 N4 C40 -67.5(4) . . . . ?
N2 Co1 N3 C36 -19.4(3) . . . . ?
N2 Co1 N3 C39 170.9(2) . . . . ?
N2 Co1 N1 C52 -177.5(2) . . . . ?
N2 Co1 N1 C54 9.2(2) . . . . ?
N2 C25 C24 C54 -0.3(5) . . . . ?
N2 C25 C24 C22 178.5(3) . . . . ?
N2 C25 C26 C27 -0.6(4) . . . . ?
N2 C28 C29 C36 -1.8(5) . . . . ?
N2 C28 C29 C30 179.0(3) . . . . ?
N2 C28 C27 C26 -0.3(4) . . . . ?
N1 Co1 N4 C43 19.0(3) . . . . ?
N1 Co1 N4 C40 -171.4(2) . . . . ?
N1 Co1 N3 C36 -122.9(4) . . . . ?
N1 Co1 N3 C39 67.4(4) . . . . ?
N1 Co1 N2 C25 -12.1(2) . . . . ?
N1 Co1 N2 C28 179.0(2) . . . . ?
N1 C52 C44 C43 6.6(5) . . . . ?
N1 C52 C44 C45 -174.2(3) . . . . ?
N1 C52 C51 C53 -0.7(3) . . . . ?
N1 C54 C24 C25 -3.0(5) . . . . ?
N1 C54 C24 C22 178.2(3) . . . . ?
N1 C54 C53 C51 -1.0(3) . . . . ?
O3 C1 C6 C5 179.4(4) . . . . ?
O3 C1 C2 C4 -178.9(4) . . . . ?
N5 N6 C8 C9 177.5(3) . . . . ?
N6 N5 C7 O1 -0.9(5) . . . . ?
N6 N5 C7 C3 176.3(3) . . . . ?
C52 N1 C54 C24 -177.9(3) . . . . ?
C52 N1 C54 C53 0.6(3) . . . . ?
C52 C51 C53 C54 1.0(3) . . . . ?
C54 N1 C52 C44 -178.0(3) . . . . ?
C54 N1 C52 C51 0.0(3) . . . . ?
C25 N2 C28 C29 178.8(3) . . . . ?
C25 N2 C28 C27 0.0(3) . . . . ?
C25 C26 C27 C28 0.6(4) . . . . ?
C36 N3 C39 C40 -178.6(3) . . . . ?
C36 N3 C39 C38 0.0(3) . . . . ?
C36 C29 C30 C31 -106.4(4) . . . . ?
C36 C29 C30 C35 80.9(4) . . . . ?
C36 C37 C38 C39 -0.2(4) . . . . ?
C43 N4 C40 C39 177.3(3) . . . . ?
C43 N4 C40 C41 -0.8(3) . . . . ?
C28 N2 C25 C24 -179.5(3) . . . . ?
C28 N2 C25 C26 0.4(3) . . . . ?
C28 C29 C30 C31 72.8(4) . . . . ?
C28 C29 C30 C35 -99.9(4) . . . . ?
C29 C36 C37 C38 175.3(3) . . . . ?
C29 C28 C27 C26 -179.1(3) . . . . ?
C29 C30 C31 F6 5.9(5) . . . . ?
C29 C30 C31 C32 -173.4(3) . . . . ?
C29 C30 C35 F9 -6.2(5) . . . . ?
C29 C30 C35 C34 172.1(3) . . . . ?
C50 C45 C44 C52 -68.5(4) . . . . ?
C50 C45 C44 C43 110.8(4) . . . . ?
C50 C45 C46 F5 178.6(3) . . . . ?
C50 C45 C46 C47 -1.5(5) . . . . ?
C50 C49 C48 F3 178.1(3) . . . . ?
C50 C49 C48 C47 -0.7(6) . . . . ?
C45 C50 C49 F1 178.6(3) . . . . ?
C45 C50 C49 C48 -0.4(5) . . . . ?
C23 O2 C14 C9 -149.7(3) . . . . ?
C23 O2 C14 C13 32.6(4) . . . . ?
C23 C22 C24 C54 113.4(3) . . . . ?
C23 C22 C24 C25 -65.5(4) . . . . ?
C23 C22 C21 C20 1.0(5) . . . . ?
C23 C18 C15 C13 37.0(4) . . . . ?
C23 C18 C15 C16 160.8(3) . . . . ?
C23 C18 C15 C17 -78.3(4) . . . . ?
C23 C18 C19 C20 1.2(5) . . . . ?
C22 C23 C18 C15 176.9(3) . . . . ?
C22 C23 C18 C19 -0.2(5) . . . . ?
C22 C21 C20 C19 -0.1(5) . . . . ?
C24 C54 C53 C51 177.4(3) . . . . ?
C24 C25 C26 C27 179.3(3) . . . . ?
C24 C22 C21 C20 -175.9(3) . . . . ?
C44 C52 C51 C53 177.3(3) . . . . ?
C44 C43 C42 C41 -177.2(3) . . . . ?
C44 C45 C46 F5 -1.6(5) . . . . ?
C44 C45 C46 C47 178.4(3) . . . . ?
C61 P1 C55 C56 -95.2(3) . . . . ?
C61 P1 C55 C60 77.7(3) . . . . ?
C61 P1 C67 C72 -145.0(2) . . . . ?
C61 P1 C67 C69 41.3(3) . . . . ?
C61 C66 C65 C64 1.4(5) . . . . ?
C61 C62 C63 C64 -0.4(5) . . . . ?
C39 N3 C36 C29 -176.0(3) . . . . ?
C39 N3 C36 C37 -0.1(3) . . . . ?
C39 C40 C41 C42 -176.6(4) . . . . ?
C26 C25 C24 C54 179.9(3) . . . . ?
C26 C25 C24 C22 -1.3(5) . . . . ?
C18 C23 C22 C24 176.1(3) . . . . ?
C18 C23 C22 C21 -0.9(5) . . . . ?
C18 C15 C13 C14 -38.1(4) . . . . ?
C18 C15 C13 C12 147.1(3) . . . . ?
C18 C19 C20 C21 -1.1(5) . . . . ?
C40 N4 C43 C44 178.1(3) . . . . ?
C40 N4 C43 C42 0.6(3) . . . . ?
C40 C39 C38 C37 178.0(4) . . . . ?
C40 C41 C42 C43 -0.3(4) . . . . ?
C37 C36 C29 C28 -173.7(3) . . . . ?
C37 C36 C29 C30 5.4(5) . . . . ?
C3 C5 C6 C1 -0.5(6) . . . . ?
C55 P1 C61 C66 84.3(3) . . . . ?
C55 P1 C61 C62 -89.5(3) . . . . ?
C55 P1 C67 C72 -39.2(3) . . . . ?
C55 P1 C67 C69 147.0(2) . . . . ?
C55 C56 C57 C58 -0.5(6) . . . . ?
C55 C60 C59 C58 -0.5(6) . . . . ?
C14 O2 C23 C22 146.2(3) . . . . ?
C14 O2 C23 C18 -33.8(4) . . . . ?
C14 C9 C8 N6 -159.2(3) . . . . ?
C14 C9 C10 C11 -1.1(5) . . . . ?
C14 C13 C12 C11 -2.6(5) . . . . ?
C72 C67 C69 C68 3.8(5) . . . . ?
C72 C71 C70 C68 1.5(5) . . . . ?
C67 P1 C61 C66 -166.6(2) . . . . ?
C67 P1 C61 C62 19.6(3) . . . . ?
C67 P1 C55 C56 155.4(3) . . . . ?
C67 P1 C55 C60 -31.7(3) . . . . ?
C67 C72 C71 C70 0.3(5) . . . . ?
C67 C69 C68 C70 -2.0(5) . . . . ?
C7 N5 N6 C8 -170.5(3) . . . . ?
C7 C3 C5 C6 -177.5(3) . . . . ?
C7 C3 C4 C2 178.2(3) . . . . ?
C9 C14 C13 C15 -172.4(3) . . . . ?
C9 C14 C13 C12 2.8(5) . . . . ?
C30 C31 C32 F7 180.0(3) . . . . ?
C30 C31 C32 C33 1.1(6) . . . . ?
C30 C35 C34 F10 -177.2(3) . . . . ?
C30 C35 C34 C33 1.6(6) . . . . ?
C27 C28 C29 C36 176.8(3) . . . . ?
C27 C28 C29 C30 -2.4(5) . . . . ?
C51 C52 C44 C43 -171.1(3) . . . . ?
C51 C52 C44 C45 8.2(5) . . . . ?
C15 C18 C19 C20 -175.6(3) . . . . ?
C15 C13 C12 C11 172.2(3) . . . . ?
C8 C9 C10 C11 179.4(3) . . . . ?
C13 C14 C9 C8 178.4(3) . . . . ?
C13 C14 C9 C10 -1.0(5) . . . . ?
C13 C12 C11 C10 0.6(6) . . . . ?
C66 C61 C62 C63 2.0(5) . . . . ?
C49 C50 C45 C44 -178.4(3) . . . . ?
C49 C50 C45 C46 1.4(5) . . . . ?
C38 C39 C40 N4 -177.1(4) . . . . ?
C38 C39 C40 C41 0.1(7) . . . . ?
C53 C54 C24 C25 178.8(3) . . . . ?
C53 C54 C24 C22 0.0(5) . . . . ?
C71 C72 C67 P1 -176.9(2) . . . . ?
C71 C72 C67 C69 -3.0(4) . . . . ?
C71 C70 C68 C69 -0.7(5) . . . . ?
C1 C2 C4 C3 -0.4(6) . . . . ?
C21 C22 C24 C54 -69.8(4) . . . . ?
C21 C22 C24 C25 111.4(3) . . . . ?
C31 C30 C35 F9 -179.3(3) . . . . ?
C31 C30 C35 C34 -1.0(5) . . . . ?
C42 C43 C44 C52 171.7(3) . . . . ?
C42 C43 C44 C45 -7.6(5) . . . . ?
C62 C61 C66 C65 -2.5(5) . . . . ?
C46 C45 C44 C52 111.7(4) . . . . ?
C46 C45 C44 C43 -69.1(4) . . . . ?
C46 C47 C48 F3 -178.2(3) . . . . ?
C46 C47 C48 C49 0.7(5) . . . . ?
C19 C18 C15 C13 -146.2(3) . . . . ?
C19 C18 C15 C16 -22.4(5) . . . . ?
C19 C18 C15 C17 98.5(4) . . . . ?
C65 C64 C63 C62 -0.7(5) . . . . ?
C35 C30 C31 F6 178.9(3) . . . . ?
C35 C30 C31 C32 -0.4(5) . . . . ?
C63 C64 C65 C66 0.3(5) . . . . ?
C16 C15 C13 C14 -162.2(3) . . . . ?
C16 C15 C13 C12 23.1(5) . . . . ?
C32 C33 C34 F10 178.0(4) . . . . ?
C32 C33 C34 C35 -0.8(6) . . . . ?
C5 C3 C7 O1 -174.2(3) . . . . ?
C5 C3 C7 N5 8.7(5) . . . . ?
C5 C3 C4 C2 0.2(6) . . . . ?
C48 C47 C46 F5 -179.6(3) . . . . ?
C48 C47 C46 C45 0.5(5) . . . . ?
C34 C33 C32 F7 -179.4(3) . . . . ?
C34 C33 C32 C31 -0.5(6) . . . . ?
C56 C55 C60 C59 -1.1(5) . . . . ?
C12 C11 C10 C9 1.3(6) . . . . ?
C6 C1 C2 C4 0.1(6) . . . . ?
C2 C1 C6 C5 0.3(6) . . . . ?
C17 C15 C13 C14 78.0(4) . . . . ?
C17 C15 C13 C12 -96.8(4) . . . . ?
C4 C3 C7 O1 8.0(5) . . . . ?
C4 C3 C7 N5 -169.1(3) . . . . ?
C4 C3 C5 C6 0.3(6) . . . . ?
C10 C9 C8 N6 20.3(5) . . . . ?
C60 C55 C56 C57 1.5(5) . . . . ?
C57 C58 C59 C60 1.5(6) . . . . ?
C59 C58 C57 C56 -1.0(6) . . . . ?
C75 C74 C73 C73 176.0(10) . . . 3_765 ?


_olex2_submission_special_instructions 'No special instructions were received'
