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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_bjf410
_database_code_depnum_ccdc_archive 'CCDC 1868266'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A&M University
United States of America
;
_audit_update_record             
;
2018-09-17 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;
_audit_creation_date             2017-10-30
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H50 Co N P2 S'
_chemical_formula_sum            'C38 H50 Co N P2 S'
_chemical_formula_weight         673.72
_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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.5788(7)
_cell_length_b                   14.6329(7)
_cell_length_c                   16.7346(8)
_cell_angle_alpha                90
_cell_angle_beta                 96.683(3)
_cell_angle_gamma                90
_cell_volume                     3545.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9231
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      27.405
_cell_measurement_theta_min      2.240
_shelx_estimated_absorpt_T_max   0.906
_shelx_estimated_absorpt_T_min   0.675
_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0838 before and 0.0628 after correction. The Ratio of minimum to maximum transmission is 0.9064. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark blue'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.262
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          0.646
_exptl_crystal_size_mid          0.296
_exptl_crystal_size_min          0.152
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            70263
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.622
_diffrn_reflns_theta_min         1.979
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6009
_reflns_number_total             8171
_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 V8.38A (Bruker, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.348
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         8171
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.030
_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)+(0.0346P)²+3.6750P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0968
_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 Ternary CH refined with riding coordinates:
 C15(H15), C18(H18), C21(H21), C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C28(H28), C29(H29),
 C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C23(H23A,
 H23B,H23C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C)
;
_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 0.73513(2) 0.24206(2) 0.60698(2) 0.01155(8) Uani 1 1 d . . . . .
S1 S 0.81235(4) 0.25764(4) 0.72769(3) 0.01945(13) Uani 1 1 d . . . . .
P1 P 0.84558(4) 0.22401(4) 0.52410(3) 0.01171(12) Uani 1 1 d . . . . .
P2 P 0.61271(4) 0.22831(4) 0.67465(3) 0.01369(13) Uani 1 1 d . . . . .
N1 N 0.65801(13) 0.16785(12) 0.52909(11) 0.0133(4) Uani 1 1 d . . . . .
C1 C 0.69827(16) 0.11961(15) 0.47027(13) 0.0137(5) Uani 1 1 d . . . . .
C2 C 0.78603(16) 0.14616(15) 0.45187(13) 0.0141(5) Uani 1 1 d . . . . .
C3 C 0.82372(16) 0.10589(16) 0.38749(14) 0.0181(5) Uani 1 1 d . . . . .
H3 H 0.881000 0.127816 0.373321 0.022 Uiso 1 1 calc R . . . .
C4 C 0.77966(17) 0.03451(17) 0.34351(15) 0.0225(5) Uani 1 1 d . . . . .
C5 C 0.69843(17) 0.00167(16) 0.36882(15) 0.0205(5) Uani 1 1 d . . . . .
H5 H 0.669720 -0.050286 0.342632 0.025 Uiso 1 1 calc R . . . .
C6 C 0.65808(16) 0.04158(15) 0.43037(14) 0.0177(5) Uani 1 1 d . . . . .
H6 H 0.602826 0.016614 0.446225 0.021 Uiso 1 1 calc R . . . .
C7 C 0.8190(2) -0.0069(2) 0.27229(18) 0.0388(8) Uani 1 1 d . . . . .
H7A H 0.784392 -0.062249 0.255119 0.058 Uiso 1 1 calc GR . . . .
H7B H 0.884063 -0.022473 0.287535 0.058 Uiso 1 1 calc GR . . . .
H7C H 0.814143 0.037256 0.227936 0.058 Uiso 1 1 calc GR . . . .
C8 C 0.56149(15) 0.17237(15) 0.52481(13) 0.0144(5) Uani 1 1 d . . . . .
C9 C 0.49854(16) 0.15850(15) 0.45484(14) 0.0167(5) Uani 1 1 d . . . . .
H9 H 0.520898 0.140121 0.406214 0.020 Uiso 1 1 calc R . . . .
C10 C 0.40498(17) 0.17141(16) 0.45657(15) 0.0201(5) Uani 1 1 d . . . . .
H10 H 0.364430 0.161445 0.408692 0.024 Uiso 1 1 calc R . . . .
C11 C 0.36775(16) 0.19848(17) 0.52581(15) 0.0206(5) Uani 1 1 d . . . . .
C12 C 0.42926(16) 0.21453(16) 0.59417(14) 0.0186(5) Uani 1 1 d . . . . .
H12 H 0.406162 0.234133 0.642121 0.022 Uiso 1 1 calc R . . . .
C13 C 0.52410(16) 0.20254(15) 0.59404(13) 0.0157(5) Uani 1 1 d . . . . .
C14 C 0.26491(17) 0.2108(2) 0.52574(17) 0.0295(6) Uani 1 1 d . . . . .
H14A H 0.251766 0.229977 0.579357 0.044 Uiso 1 1 calc GR . . . .
H14B H 0.233453 0.152867 0.511562 0.044 Uiso 1 1 calc GR . . . .
H14C H 0.242757 0.257626 0.486248 0.044 Uiso 1 1 calc GR . . . .
C15 C 0.94614(15) 0.15703(15) 0.57140(13) 0.0149(5) Uani 1 1 d . . . . .
H15 H 0.977122 0.195251 0.616197 0.018 Uiso 1 1 calc R . . . .
C16 C 0.91105(17) 0.07058(15) 0.61002(15) 0.0198(5) Uani 1 1 d . . . . .
H16A H 0.869293 0.087876 0.649331 0.030 Uiso 1 1 calc GR . . . .
H16B H 0.963586 0.036523 0.637161 0.030 Uiso 1 1 calc GR . . . .
H16C H 0.877852 0.032167 0.568239 0.030 Uiso 1 1 calc GR . . . .
C17 C 1.02015(16) 0.13227(17) 0.51710(15) 0.0200(5) Uani 1 1 d . . . . .
H17A H 0.993016 0.093044 0.473100 0.030 Uiso 1 1 calc GR . . . .
H17B H 1.070797 0.099723 0.548673 0.030 Uiso 1 1 calc GR . . . .
H17C H 1.043969 0.188233 0.494802 0.030 Uiso 1 1 calc GR . . . .
C18 C 0.89831(16) 0.30952(15) 0.46098(14) 0.0164(5) Uani 1 1 d . . . . .
H18 H 0.935811 0.273799 0.425504 0.020 Uiso 1 1 calc R . . . .
C19 C 0.96537(18) 0.37447(17) 0.50872(16) 0.0244(6) Uani 1 1 d . . . . .
H19A H 0.931091 0.415780 0.540529 0.037 Uiso 1 1 calc GR . . . .
H19B H 0.998328 0.410260 0.471601 0.037 Uiso 1 1 calc GR . . . .
H19C H 1.009883 0.339206 0.544780 0.037 Uiso 1 1 calc GR . . . .
C20 C 0.82669(17) 0.36215(17) 0.40438(15) 0.0233(6) Uani 1 1 d . . . . .
H20A H 0.783427 0.318927 0.375513 0.035 Uiso 1 1 calc GR . . . .
H20B H 0.858111 0.397029 0.365612 0.035 Uiso 1 1 calc GR . . . .
H20C H 0.792746 0.404150 0.435845 0.035 Uiso 1 1 calc GR . . . .
C21 C 0.56447(17) 0.31735(16) 0.73618(14) 0.0192(5) Uani 1 1 d . . . . .
H21 H 0.503503 0.294161 0.749413 0.023 Uiso 1 1 calc R . . . .
C22 C 0.5456(2) 0.40656(17) 0.69001(16) 0.0302(6) Uani 1 1 d . . . . .
H22A H 0.604263 0.434517 0.680068 0.045 Uiso 1 1 calc GR . . . .
H22B H 0.511882 0.448476 0.721760 0.045 Uiso 1 1 calc GR . . . .
H22C H 0.508416 0.393995 0.638543 0.045 Uiso 1 1 calc GR . . . .
C23 C 0.62417(19) 0.33409(18) 0.81632(15) 0.0281(6) Uani 1 1 d . . . . .
H23A H 0.635696 0.275887 0.844693 0.042 Uiso 1 1 calc GR . . . .
H23B H 0.591918 0.375760 0.849414 0.042 Uiso 1 1 calc GR . . . .
H23C H 0.683115 0.361323 0.806132 0.042 Uiso 1 1 calc GR . . . .
C24 C 0.62238(17) 0.12456(16) 0.73915(14) 0.0181(5) Uani 1 1 d . . . . .
H24 H 0.674904 0.134786 0.782231 0.022 Uiso 1 1 calc R . . . .
C25 C 0.53672(18) 0.10608(18) 0.78081(16) 0.0269(6) Uani 1 1 d . . . . .
H25A H 0.523444 0.159511 0.812845 0.040 Uiso 1 1 calc GR . . . .
H25B H 0.547602 0.052795 0.816116 0.040 Uiso 1 1 calc GR . . . .
H25C H 0.484025 0.094043 0.740258 0.040 Uiso 1 1 calc GR . . . .
C26 C 0.64671(19) 0.04098(16) 0.69063(16) 0.0249(6) Uani 1 1 d . . . . .
H26A H 0.596530 0.028906 0.647693 0.037 Uiso 1 1 calc GR . . . .
H26B H 0.655242 -0.012273 0.726226 0.037 Uiso 1 1 calc GR . . . .
H26C H 0.703935 0.052867 0.666931 0.037 Uiso 1 1 calc GR . . . .
C27 C 0.93407(16) 0.26670(16) 0.74117(13) 0.0173(5) Uani 1 1 d . . . . .
C28 C 0.98600(17) 0.19881(16) 0.78417(14) 0.0197(5) Uani 1 1 d . . . . .
H28 H 0.955725 0.147627 0.804201 0.024 Uiso 1 1 calc R . . . .
C29 C 1.08113(18) 0.20553(18) 0.79781(15) 0.0249(6) Uani 1 1 d . . . . .
H29 H 1.115599 0.158777 0.827028 0.030 Uiso 1 1 calc R . . . .
C30 C 1.12671(18) 0.27955(19) 0.76941(16) 0.0268(6) Uani 1 1 d . . . . .
H30 H 1.192181 0.283125 0.778086 0.032 Uiso 1 1 calc R . . . .
C31 C 1.07587(18) 0.34854(18) 0.72813(16) 0.0268(6) Uani 1 1 d . . . . .
H31 H 1.106562 0.400106 0.709228 0.032 Uiso 1 1 calc R . . . .
C32 C 0.98063(17) 0.34247(16) 0.71441(15) 0.0206(5) Uani 1 1 d . . . . .
H32 H 0.946405 0.390283 0.686500 0.025 Uiso 1 1 calc R . . . .
C33 C 0.70062(16) 0.36137(15) 0.56384(14) 0.0167(5) Uani 1 1 d . . . . .
C34 C 0.62916(16) 0.37546(16) 0.50213(14) 0.0183(5) Uani 1 1 d . . . . .
H34 H 0.595555 0.324504 0.478934 0.022 Uiso 1 1 calc R . . . .
C35 C 0.60623(18) 0.46317(17) 0.47390(16) 0.0247(6) Uani 1 1 d . . . . .
H35 H 0.557122 0.471009 0.431906 0.030 Uiso 1 1 calc R . . . .
C36 C 0.6537(2) 0.53876(18) 0.50599(17) 0.0320(7) Uani 1 1 d . . . . .
H36 H 0.637578 0.598357 0.486694 0.038 Uiso 1 1 calc R . . . .
C37 C 0.7252(2) 0.52596(18) 0.56677(17) 0.0317(6) Uani 1 1 d . . . . .
H37 H 0.758726 0.577303 0.589279 0.038 Uiso 1 1 calc R . . . .
C38 C 0.74867(18) 0.43875(16) 0.59541(15) 0.0236(6) Uani 1 1 d . . . . .
H38 H 0.798186 0.431523 0.637128 0.028 Uiso 1 1 calc R . . . .


_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 S1 2.2070(6) . ?
Co1 P1 2.2596(6) . ?
Co1 P2 2.2312(7) . ?
Co1 N1 1.9496(18) . ?
Co1 C33 1.933(2) . ?
S1 C27 1.768(2) . ?
P1 C2 1.808(2) . ?
P1 C15 1.862(2) . ?
P1 C18 1.861(2) . ?
P2 C13 1.796(2) . ?
P2 C21 1.850(2) . ?
P2 C24 1.859(2) . ?
N1 C1 1.395(3) . ?
N1 C8 1.402(3) . ?
C1 C2 1.405(3) . ?
C1 C6 1.415(3) . ?
C2 C3 1.396(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(3) . ?
C4 C5 1.389(4) . ?
C4 C7 1.508(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(3) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.416(3) . ?
C8 C13 1.407(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(3) . ?
C11 C12 1.389(3) . ?
C11 C14 1.510(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.394(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 1.0000 . ?
C15 C16 1.535(3) . ?
C15 C17 1.533(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18 1.0000 . ?
C18 C19 1.522(3) . ?
C18 C20 1.533(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21 1.0000 . ?
C21 C22 1.526(3) . ?
C21 C23 1.531(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 1.0000 . ?
C24 C25 1.523(3) . ?
C24 C26 1.532(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.397(3) . ?
C27 C32 1.401(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.383(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.388(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.383(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.394(3) . ?
C33 C38 1.402(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.395(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.382(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.392(3) . ?
C38 H38 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
S1 Co1 P1 104.47(2) . . ?
S1 Co1 P2 84.13(2) . . ?
P2 Co1 P1 165.97(2) . . ?
N1 Co1 S1 149.60(6) . . ?
N1 Co1 P1 85.48(6) . . ?
N1 Co1 P2 81.72(6) . . ?
C33 Co1 S1 109.35(7) . . ?
C33 Co1 P1 92.84(7) . . ?
C33 Co1 P2 94.71(7) . . ?
C33 Co1 N1 98.55(9) . . ?
C27 S1 Co1 121.47(8) . . ?
C2 P1 Co1 99.38(8) . . ?
C2 P1 C15 104.22(10) . . ?
C2 P1 C18 104.02(10) . . ?
C15 P1 Co1 112.50(7) . . ?
C18 P1 Co1 129.86(8) . . ?
C18 P1 C15 103.79(10) . . ?
C13 P2 Co1 100.70(8) . . ?
C13 P2 C21 106.21(11) . . ?
C13 P2 C24 105.31(11) . . ?
C21 P2 Co1 126.69(8) . . ?
C21 P2 C24 105.07(11) . . ?
C24 P2 Co1 110.94(8) . . ?
C1 N1 Co1 119.76(15) . . ?
C1 N1 C8 119.34(18) . . ?
C8 N1 Co1 120.33(14) . . ?
N1 C1 C2 118.90(19) . . ?
N1 C1 C6 123.8(2) . . ?
C2 C1 C6 117.2(2) . . ?
C1 C2 P1 113.98(16) . . ?
C3 C2 P1 125.50(18) . . ?
C3 C2 C1 120.2(2) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.8(2) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C7 121.7(2) . . ?
C5 C4 C3 117.1(2) . . ?
C5 C4 C7 121.2(2) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 C4 122.4(2) . . ?
C6 C5 H5 118.8 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.4(2) . . ?
C5 C6 H6 119.8 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 125.8(2) . . ?
N1 C8 C13 117.08(19) . . ?
C13 C8 C9 116.7(2) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 C8 120.7(2) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 118.7 . . ?
C9 C10 C11 122.5(2) . . ?
C11 C10 H10 118.7 . . ?
C10 C11 C14 121.1(2) . . ?
C12 C11 C10 117.2(2) . . ?
C12 C11 C14 121.8(2) . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.5(2) . . ?
C13 C12 H12 119.2 . . ?
C8 C13 P2 111.75(17) . . ?
C12 C13 P2 126.82(18) . . ?
C12 C13 C8 121.3(2) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P1 C15 H15 106.8 . . ?
C16 C15 P1 109.16(15) . . ?
C16 C15 H15 106.8 . . ?
C17 C15 P1 116.50(16) . . ?
C17 C15 H15 106.8 . . ?
C17 C15 C16 110.31(18) . . ?
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 . . ?
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 . . ?
P1 C18 H18 106.0 . . ?
C19 C18 P1 113.87(16) . . ?
C19 C18 H18 106.0 . . ?
C19 C18 C20 111.1(2) . . ?
C20 C18 P1 113.07(16) . . ?
C20 C18 H18 106.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P2 C21 H21 106.8 . . ?
C22 C21 P2 112.26(17) . . ?
C22 C21 H21 106.8 . . ?
C22 C21 C23 110.9(2) . . ?
C23 C21 P2 112.71(17) . . ?
C23 C21 H21 106.8 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
P2 C24 H24 107.2 . . ?
C25 C24 P2 113.57(17) . . ?
C25 C24 H24 107.2 . . ?
C25 C24 C26 110.7(2) . . ?
C26 C24 P2 110.53(16) . . ?
C26 C24 H24 107.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 S1 119.23(19) . . ?
C28 C27 C32 118.3(2) . . ?
C32 C27 S1 122.37(18) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.5(2) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 119.6 . . ?
C28 C29 C30 120.8(2) . . ?
C30 C29 H29 119.6 . . ?
C29 C30 H30 120.3 . . ?
C29 C30 C31 119.4(2) . . ?
C31 C30 H30 120.3 . . ?
C30 C31 H31 119.9 . . ?
C32 C31 C30 120.2(2) . . ?
C32 C31 H31 119.9 . . ?
C27 C32 H32 119.6 . . ?
C31 C32 C27 120.8(2) . . ?
C31 C32 H32 119.6 . . ?
C34 C33 Co1 123.34(18) . . ?
C34 C33 C38 117.2(2) . . ?
C38 C33 Co1 119.46(17) . . ?
C33 C34 H34 119.5 . . ?
C33 C34 C35 121.1(2) . . ?
C35 C34 H34 119.5 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 121.1(2) . . ?
C36 C35 H35 119.5 . . ?
C35 C36 H36 120.7 . . ?
C35 C36 C37 118.6(2) . . ?
C37 C36 H36 120.7 . . ?
C36 C37 H37 119.6 . . ?
C36 C37 C38 120.8(2) . . ?
C38 C37 H37 119.6 . . ?
C33 C38 H38 119.4 . . ?
C37 C38 C33 121.2(2) . . ?
C37 C38 H38 119.4 . . ?

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 S1 C27 C28 -116.43(17) . . . . ?
Co1 S1 C27 C32 67.5(2) . . . . ?
Co1 P1 C2 C1 -2.71(17) . . . . ?
Co1 P1 C2 C3 -175.95(19) . . . . ?
Co1 P1 C15 C16 48.00(17) . . . . ?
Co1 P1 C15 C17 173.71(15) . . . . ?
Co1 P1 C18 C19 73.92(19) . . . . ?
Co1 P1 C18 C20 -54.2(2) . . . . ?
Co1 P2 C13 C8 18.11(17) . . . . ?
Co1 P2 C13 C12 -158.19(19) . . . . ?
Co1 P2 C21 C22 52.4(2) . . . . ?
Co1 P2 C21 C23 -73.7(2) . . . . ?
Co1 P2 C24 C25 -174.40(16) . . . . ?
Co1 P2 C24 C26 -49.28(19) . . . . ?
Co1 N1 C1 C2 -19.5(3) . . . . ?
Co1 N1 C1 C6 156.95(17) . . . . ?
Co1 N1 C8 C9 149.84(18) . . . . ?
Co1 N1 C8 C13 -23.2(3) . . . . ?
Co1 C33 C34 C35 179.13(19) . . . . ?
Co1 C33 C38 C37 -179.1(2) . . . . ?
S1 C27 C28 C29 -177.98(18) . . . . ?
S1 C27 C32 C31 178.04(19) . . . . ?
P1 C2 C3 C4 168.15(19) . . . . ?
N1 C1 C2 P1 13.3(3) . . . . ?
N1 C1 C2 C3 -173.0(2) . . . . ?
N1 C1 C6 C5 175.1(2) . . . . ?
N1 C8 C9 C10 -175.1(2) . . . . ?
N1 C8 C13 P2 -0.4(3) . . . . ?
N1 C8 C13 C12 176.1(2) . . . . ?
C1 N1 C8 C9 -21.5(3) . . . . ?
C1 N1 C8 C13 165.50(19) . . . . ?
C1 C2 C3 C4 -4.7(4) . . . . ?
C2 P1 C15 C16 -58.68(17) . . . . ?
C2 P1 C15 C17 67.03(19) . . . . ?
C2 P1 C18 C19 -170.78(17) . . . . ?
C2 P1 C18 C20 61.13(19) . . . . ?
C2 C1 C6 C5 -8.4(3) . . . . ?
C2 C3 C4 C5 -3.1(4) . . . . ?
C2 C3 C4 C7 178.0(2) . . . . ?
C3 C4 C5 C6 5.2(4) . . . . ?
C4 C5 C6 C1 0.6(4) . . . . ?
C6 C1 C2 P1 -163.36(17) . . . . ?
C6 C1 C2 C3 10.3(3) . . . . ?
C7 C4 C5 C6 -175.9(2) . . . . ?
C8 N1 C1 C2 151.9(2) . . . . ?
C8 N1 C1 C6 -31.7(3) . . . . ?
C8 C9 C10 C11 0.1(4) . . . . ?
C9 C8 C13 P2 -174.05(16) . . . . ?
C9 C8 C13 C12 2.5(3) . . . . ?
C9 C10 C11 C12 1.5(4) . . . . ?
C9 C10 C11 C14 -179.2(2) . . . . ?
C10 C11 C12 C13 -1.1(3) . . . . ?
C11 C12 C13 P2 175.07(18) . . . . ?
C11 C12 C13 C8 -0.9(4) . . . . ?
C13 P2 C21 C22 -64.8(2) . . . . ?
C13 P2 C21 C23 169.04(18) . . . . ?
C13 P2 C24 C25 -66.3(2) . . . . ?
C13 P2 C24 C26 58.83(19) . . . . ?
C13 C8 C9 C10 -2.1(3) . . . . ?
C14 C11 C12 C13 179.6(2) . . . . ?
C15 P1 C2 C1 113.53(17) . . . . ?
C15 P1 C2 C3 -59.7(2) . . . . ?
C15 P1 C18 C19 -62.00(19) . . . . ?
C15 P1 C18 C20 169.92(17) . . . . ?
C18 P1 C2 C1 -138.00(17) . . . . ?
C18 P1 C2 C3 48.7(2) . . . . ?
C18 P1 C15 C16 -167.31(16) . . . . ?
C18 P1 C15 C17 -41.60(19) . . . . ?
C21 P2 C13 C8 151.59(16) . . . . ?
C21 P2 C13 C12 -24.7(2) . . . . ?
C21 P2 C24 C25 45.6(2) . . . . ?
C21 P2 C24 C26 170.76(17) . . . . ?
C24 P2 C13 C8 -97.28(17) . . . . ?
C24 P2 C13 C12 86.4(2) . . . . ?
C24 P2 C21 C22 -176.10(19) . . . . ?
C24 P2 C21 C23 57.7(2) . . . . ?
C27 C28 C29 C30 0.2(4) . . . . ?
C28 C27 C32 C31 1.9(3) . . . . ?
C28 C29 C30 C31 1.3(4) . . . . ?
C29 C30 C31 C32 -1.1(4) . . . . ?
C30 C31 C32 C27 -0.5(4) . . . . ?
C32 C27 C28 C29 -1.7(3) . . . . ?
C33 C34 C35 C36 0.2(4) . . . . ?
C34 C33 C38 C37 0.7(4) . . . . ?
C34 C35 C36 C37 0.3(4) . . . . ?
C35 C36 C37 C38 -0.3(5) . . . . ?
C36 C37 C38 C33 -0.2(4) . . . . ?
C38 C33 C34 C35 -0.7(4) . . . . ?

_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_bjf472
_database_code_depnum_ccdc_archive 'CCDC 1868267'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A&M University
United States of America
;
_audit_update_record             
;
2018-09-17 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;
_audit_creation_date             2018-04-17
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.04.03 svn.r3497 for OlexSys, GUI svn.r5486)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H47 Co N P2'
_chemical_formula_sum            'C33 H47 Co N P2'
_chemical_formula_weight         578.58
_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'
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                   15.273(2)
_cell_length_b                   10.8300(14)
_cell_length_c                   18.993(3)
_cell_angle_alpha                90
_cell_angle_beta                 98.062(4)
_cell_angle_gamma                90
_cell_volume                     3110.5(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    110.0
_cell_measurement_theta_max      27.227
_cell_measurement_theta_min      2.166
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.837
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_T_max  0.7420
_exptl_absorpt_correction_T_min  0.7006
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0685 before and 0.0626 after correction. The Ratio of minimum to maximum transmission is 0.9442. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.272
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.074
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            45314
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.504
_diffrn_reflns_theta_min         2.170
_diffrn_ambient_temperature      110.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5311
_reflns_number_total             7098
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.423
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         7098
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0411
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0356P)²+1.7535P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0834
_refine_ls_wR_factor_ref         0.0955
_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 Ternary CH refined with riding coordinates:
 C22(H22), C25(H25), C28(H28), C31(H31)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C16(H16), C17(H17),
 C19(H19), C20(H20)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C21(H21A,H21B,H21C), C23(H23A,H23B,
 H23C), C24(H24A,H24B,H24C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C)
;
_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 0.74671(2) 0.32687(2) 0.24541(2) 0.01406(9) Uani 1 1 d . . . . .
P1 P 0.66466(4) 0.16270(5) 0.22663(3) 0.01439(13) Uani 1 1 d . . . . .
P2 P 0.81761(4) 0.50265(5) 0.25316(3) 0.01362(13) Uani 1 1 d . . . . .
N1 N 0.69393(12) 0.38075(15) 0.15242(9) 0.0156(4) Uani 1 1 d . . . . .
C1 C 0.61663(14) 0.32315(18) 0.11895(11) 0.0152(4) Uani 1 1 d . . . . .
C2 C 0.59290(15) 0.20877(18) 0.14714(11) 0.0152(5) Uani 1 1 d . . . . .
C3 C 0.51776(15) 0.14508(19) 0.11701(12) 0.0177(5) Uani 1 1 d . . . . .
H3 H 0.504363 0.068046 0.136920 0.021 Uiso 1 1 calc R . . . .
C4 C 0.46181(15) 0.1902(2) 0.05900(12) 0.0193(5) Uani 1 1 d . . . . .
C5 C 0.48265(16) 0.3057(2) 0.03421(12) 0.0220(5) Uani 1 1 d . . . . .
H5 H 0.444345 0.341047 -0.004257 0.026 Uiso 1 1 calc R . . . .
C6 C 0.55660(15) 0.3715(2) 0.06300(12) 0.0208(5) Uani 1 1 d . . . . .
H6 H 0.567013 0.450914 0.044602 0.025 Uiso 1 1 calc R . . . .
C7 C 0.38201(16) 0.1182(2) 0.02629(13) 0.0283(6) Uani 1 1 d . . . . .
H7A H 0.401163 0.041072 0.006196 0.042 Uiso 1 1 calc GR . . . .
H7B H 0.348245 0.167381 -0.011479 0.042 Uiso 1 1 calc GR . . . .
H7C H 0.344684 0.099340 0.062863 0.042 Uiso 1 1 calc GR . . . .
C8 C 0.73455(15) 0.47658(18) 0.11884(11) 0.0154(5) Uani 1 1 d . . . . .
C9 C 0.72566(15) 0.49706(19) 0.04516(11) 0.0182(5) Uani 1 1 d . . . . .
H9 H 0.689429 0.443108 0.014175 0.022 Uiso 1 1 calc R . . . .
C10 C 0.76812(15) 0.59346(19) 0.01655(12) 0.0184(5) Uani 1 1 d . . . . .
H10 H 0.759255 0.604781 -0.033550 0.022 Uiso 1 1 calc R . . . .
C11 C 0.82363(14) 0.67482(19) 0.05870(12) 0.0168(5) Uani 1 1 d . . . . .
C12 C 0.83774(15) 0.65066(18) 0.13125(11) 0.0161(5) Uani 1 1 d . . . . .
H12 H 0.877490 0.701759 0.161256 0.019 Uiso 1 1 calc R . . . .
C13 C 0.79546(14) 0.55368(18) 0.16170(11) 0.0151(5) Uani 1 1 d . . . . .
C14 C 0.86635(16) 0.7823(2) 0.02620(12) 0.0224(5) Uani 1 1 d . . . . .
H14A H 0.830405 0.856572 0.029035 0.034 Uiso 1 1 calc GR . . . .
H14B H 0.870746 0.764053 -0.023730 0.034 Uiso 1 1 calc GR . . . .
H14C H 0.925654 0.795952 0.052160 0.034 Uiso 1 1 calc GR . . . .
C15 C 0.80158(15) 0.27149(19) 0.33828(12) 0.0170(5) Uani 1 1 d . . . . .
C16 C 0.77803(16) 0.3186(2) 0.40149(12) 0.0215(5) Uani 1 1 d . . . . .
H16 H 0.731760 0.377718 0.398941 0.026 Uiso 1 1 calc R . . . .
C17 C 0.81964(17) 0.2822(2) 0.46772(13) 0.0261(6) Uani 1 1 d . . . . .
H17 H 0.800906 0.316208 0.509232 0.031 Uiso 1 1 calc R . . . .
C18 C 0.88805(17) 0.1971(2) 0.47465(13) 0.0265(6) Uani 1 1 d . . . . .
C19 C 0.91241(16) 0.1483(2) 0.41269(13) 0.0240(5) Uani 1 1 d . . . . .
H19 H 0.958837 0.089289 0.415706 0.029 Uiso 1 1 calc R . . . .
C20 C 0.86990(15) 0.18425(19) 0.34615(12) 0.0200(5) Uani 1 1 d . . . . .
H20 H 0.887829 0.148462 0.304799 0.024 Uiso 1 1 calc R . . . .
C21 C 0.9331(2) 0.1579(3) 0.54680(14) 0.0386(7) Uani 1 1 d . . . . .
H21A H 0.933383 0.226976 0.580186 0.058 Uiso 1 1 calc GR . . . .
H21B H 0.994145 0.133358 0.543342 0.058 Uiso 1 1 calc GR . . . .
H21C H 0.901253 0.087963 0.563836 0.058 Uiso 1 1 calc GR . . . .
C22 C 0.58949(15) 0.1135(2) 0.28936(12) 0.0217(5) Uani 1 1 d . . . . .
H22 H 0.543160 0.058848 0.263157 0.026 Uiso 1 1 calc R . . . .
C23 C 0.54368(17) 0.2277(2) 0.31427(14) 0.0318(6) Uani 1 1 d . . . . .
H23A H 0.587474 0.280253 0.342643 0.048 Uiso 1 1 calc GR . . . .
H23B H 0.498655 0.202134 0.343318 0.048 Uiso 1 1 calc GR . . . .
H23C H 0.515546 0.273975 0.272829 0.048 Uiso 1 1 calc GR . . . .
C24 C 0.63698(17) 0.0410(2) 0.35222(13) 0.0287(6) Uani 1 1 d . . . . .
H24A H 0.661978 -0.034696 0.334932 0.043 Uiso 1 1 calc GR . . . .
H24B H 0.594865 0.019474 0.384722 0.043 Uiso 1 1 calc GR . . . .
H24C H 0.684617 0.091539 0.377404 0.043 Uiso 1 1 calc GR . . . .
C25 C 0.72219(15) 0.02205(19) 0.20331(12) 0.0191(5) Uani 1 1 d . . . . .
H25 H 0.762169 -0.005190 0.246776 0.023 Uiso 1 1 calc R . . . .
C26 C 0.66162(17) -0.0861(2) 0.17851(13) 0.0255(5) Uani 1 1 d . . . . .
H26A H 0.627237 -0.109188 0.216348 0.038 Uiso 1 1 calc GR . . . .
H26B H 0.697399 -0.156672 0.167289 0.038 Uiso 1 1 calc GR . . . .
H26C H 0.621325 -0.062010 0.135968 0.038 Uiso 1 1 calc GR . . . .
C27 C 0.78013(17) 0.0551(2) 0.14688(14) 0.0310(6) Uani 1 1 d . . . . .
H27A H 0.742765 0.083956 0.103852 0.046 Uiso 1 1 calc GR . . . .
H27B H 0.813323 -0.017986 0.135572 0.046 Uiso 1 1 calc GR . . . .
H27C H 0.821548 0.120620 0.164966 0.046 Uiso 1 1 calc GR . . . .
C28 C 0.76925(14) 0.61738(19) 0.30834(11) 0.0163(5) Uani 1 1 d . . . . .
H28 H 0.778918 0.586076 0.358364 0.020 Uiso 1 1 calc R . . . .
C29 C 0.66930(15) 0.6211(2) 0.28490(13) 0.0246(5) Uani 1 1 d . . . . .
H29A H 0.644207 0.539076 0.290643 0.037 Uiso 1 1 calc GR . . . .
H29B H 0.657264 0.645933 0.234853 0.037 Uiso 1 1 calc GR . . . .
H29C H 0.642385 0.680829 0.314191 0.037 Uiso 1 1 calc GR . . . .
C30 C 0.81087(16) 0.74599(19) 0.30910(12) 0.0222(5) Uani 1 1 d . . . . .
H30A H 0.873836 0.740514 0.327987 0.033 Uiso 1 1 calc GR . . . .
H30B H 0.781207 0.800992 0.339238 0.033 Uiso 1 1 calc GR . . . .
H30C H 0.804210 0.778836 0.260562 0.033 Uiso 1 1 calc GR . . . .
C31 C 0.93780(14) 0.51766(19) 0.27971(11) 0.0165(5) Uani 1 1 d . . . . .
H31 H 0.955722 0.602132 0.265962 0.020 Uiso 1 1 calc R . . . .
C32 C 0.96353(15) 0.5039(2) 0.36007(12) 0.0213(5) Uani 1 1 d . . . . .
H32A H 0.932777 0.566697 0.384570 0.032 Uiso 1 1 calc GR . . . .
H32B H 1.027560 0.514748 0.372306 0.032 Uiso 1 1 calc GR . . . .
H32C H 0.946741 0.421568 0.374841 0.032 Uiso 1 1 calc GR . . . .
C33 C 0.98670(15) 0.4236(2) 0.23946(13) 0.0239(5) Uani 1 1 d . . . . .
H33A H 0.969793 0.339859 0.251784 0.036 Uiso 1 1 calc GR . . . .
H33B H 1.050625 0.434124 0.252643 0.036 Uiso 1 1 calc GR . . . .
H33C H 0.971013 0.436463 0.188168 0.036 Uiso 1 1 calc GR . . . .


_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 2.1757(6) . ?
Co1 P2 2.1849(6) . ?
Co1 N1 1.9261(18) . ?
Co1 C15 1.939(2) . ?
P1 C2 1.807(2) . ?
P1 C22 1.845(2) . ?
P1 C25 1.843(2) . ?
P2 C13 1.809(2) . ?
P2 C28 1.845(2) . ?
P2 C31 1.841(2) . ?
N1 C1 1.406(3) . ?
N1 C8 1.407(3) . ?
C1 C2 1.417(3) . ?
C1 C6 1.404(3) . ?
C2 C3 1.391(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(3) . ?
C4 C5 1.390(3) . ?
C4 C7 1.505(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.382(3) . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.405(3) . ?
C8 C13 1.419(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.380(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.395(3) . ?
C11 C12 1.389(3) . ?
C11 C14 1.508(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.400(3) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.397(3) . ?
C15 C20 1.400(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.385(3) . ?
C18 C19 1.388(3) . ?
C18 C21 1.506(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.393(3) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 1.0000 . ?
C22 C23 1.528(3) . ?
C22 C24 1.525(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25 1.0000 . ?
C25 C26 1.526(3) . ?
C25 C27 1.525(3) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.530(3) . ?
C28 C30 1.530(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31 1.0000 . ?
C31 C32 1.529(3) . ?
C31 C33 1.530(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 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
P1 Co1 P2 172.63(2) . . ?
N1 Co1 P1 86.56(5) . . ?
N1 Co1 P2 86.42(5) . . ?
N1 Co1 C15 179.00(9) . . ?
C15 Co1 P1 93.55(6) . . ?
C15 Co1 P2 93.51(6) . . ?
C2 P1 Co1 100.32(7) . . ?
C2 P1 C22 105.05(11) . . ?
C2 P1 C25 106.33(10) . . ?
C22 P1 Co1 121.76(8) . . ?
C25 P1 Co1 115.57(8) . . ?
C25 P1 C22 106.10(10) . . ?
C13 P2 Co1 100.21(7) . . ?
C13 P2 C28 107.69(10) . . ?
C13 P2 C31 106.32(10) . . ?
C28 P2 Co1 113.01(7) . . ?
C31 P2 Co1 124.12(7) . . ?
C31 P2 C28 104.37(10) . . ?
C1 N1 Co1 119.81(14) . . ?
C1 N1 C8 121.21(18) . . ?
C8 N1 Co1 118.98(14) . . ?
N1 C1 C2 117.41(19) . . ?
C6 C1 N1 126.48(19) . . ?
C6 C1 C2 116.0(2) . . ?
C1 C2 P1 113.57(16) . . ?
C3 C2 P1 125.13(16) . . ?
C3 C2 C1 121.2(2) . . ?
C2 C3 H3 118.9 . . ?
C4 C3 C2 122.3(2) . . ?
C4 C3 H3 118.9 . . ?
C3 C4 C5 116.2(2) . . ?
C3 C4 C7 121.3(2) . . ?
C5 C4 C7 122.5(2) . . ?
C4 C5 H5 118.5 . . ?
C6 C5 C4 122.9(2) . . ?
C6 C5 H5 118.5 . . ?
C1 C6 H6 119.4 . . ?
C5 C6 C1 121.2(2) . . ?
C5 C6 H6 119.4 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C13 118.00(19) . . ?
C9 C8 N1 125.51(19) . . ?
C9 C8 C13 116.28(19) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 C8 121.8(2) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 H10 118.9 . . ?
C9 C10 C11 122.2(2) . . ?
C11 C10 H10 118.9 . . ?
C10 C11 C14 121.0(2) . . ?
C12 C11 C10 116.59(19) . . ?
C12 C11 C14 122.4(2) . . ?
C11 C12 H12 118.8 . . ?
C11 C12 C13 122.3(2) . . ?
C13 C12 H12 118.8 . . ?
C8 C13 P2 112.98(15) . . ?
C12 C13 P2 126.23(17) . . ?
C12 C13 C8 120.5(2) . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Co1 122.57(17) . . ?
C16 C15 C20 115.6(2) . . ?
C20 C15 Co1 121.77(17) . . ?
C15 C16 H16 118.8 . . ?
C17 C16 C15 122.4(2) . . ?
C17 C16 H16 118.8 . . ?
C16 C17 H17 119.3 . . ?
C16 C17 C18 121.3(2) . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C19 117.5(2) . . ?
C17 C18 C21 121.1(2) . . ?
C19 C18 C21 121.4(2) . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.1(2) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 H20 119.0 . . ?
C19 C20 C15 122.1(2) . . ?
C19 C20 H20 119.0 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P1 C22 H22 108.1 . . ?
C23 C22 P1 108.63(16) . . ?
C23 C22 H22 108.1 . . ?
C24 C22 P1 112.55(16) . . ?
C24 C22 H22 108.1 . . ?
C24 C22 C23 111.3(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
P1 C25 H25 107.6 . . ?
C26 C25 P1 114.83(16) . . ?
C26 C25 H25 107.6 . . ?
C27 C25 P1 108.54(15) . . ?
C27 C25 H25 107.6 . . ?
C27 C25 C26 110.5(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
P2 C28 H28 107.1 . . ?
C29 C28 P2 108.38(15) . . ?
C29 C28 H28 107.1 . . ?
C29 C28 C30 112.01(18) . . ?
C30 C28 P2 114.80(15) . . ?
C30 C28 H28 107.1 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C31 H31 107.9 . . ?
C32 C31 P2 111.81(15) . . ?
C32 C31 H31 107.9 . . ?
C32 C31 C33 111.03(18) . . ?
C33 C31 P2 110.01(15) . . ?
C33 C31 H31 107.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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 C2 C1 6.29(17) . . . . ?
Co1 P1 C2 C3 -169.94(18) . . . . ?
Co1 P1 C22 C23 41.65(19) . . . . ?
Co1 P1 C22 C24 -82.02(18) . . . . ?
Co1 P1 C25 C26 -170.40(14) . . . . ?
Co1 P1 C25 C27 -46.22(18) . . . . ?
Co1 P2 C13 C8 6.84(16) . . . . ?
Co1 P2 C13 C12 -167.19(18) . . . . ?
Co1 P2 C28 C29 -47.98(16) . . . . ?
Co1 P2 C28 C30 -174.04(13) . . . . ?
Co1 P2 C31 C32 -77.20(16) . . . . ?
Co1 P2 C31 C33 46.65(18) . . . . ?
Co1 N1 C1 C2 -15.1(3) . . . . ?
Co1 N1 C1 C6 160.21(18) . . . . ?
Co1 N1 C8 C9 155.80(18) . . . . ?
Co1 N1 C8 C13 -18.7(3) . . . . ?
Co1 C15 C16 C17 -177.52(18) . . . . ?
Co1 C15 C20 C19 176.97(17) . . . . ?
P1 C2 C3 C4 175.07(17) . . . . ?
N1 C1 C2 P1 4.0(3) . . . . ?
N1 C1 C2 C3 -179.58(19) . . . . ?
N1 C1 C6 C5 179.8(2) . . . . ?
N1 C8 C9 C10 -179.9(2) . . . . ?
N1 C8 C13 P2 5.7(3) . . . . ?
N1 C8 C13 C12 -179.86(19) . . . . ?
C1 N1 C8 C9 -23.4(3) . . . . ?
C1 N1 C8 C13 162.13(19) . . . . ?
C1 C2 C3 C4 -0.9(3) . . . . ?
C2 P1 C22 C23 -70.98(18) . . . . ?
C2 P1 C22 C24 165.35(17) . . . . ?
C2 P1 C25 C26 -60.08(19) . . . . ?
C2 P1 C25 C27 64.09(18) . . . . ?
C2 C1 C6 C5 -4.8(3) . . . . ?
C2 C3 C4 C5 -2.8(3) . . . . ?
C2 C3 C4 C7 178.6(2) . . . . ?
C3 C4 C5 C6 2.6(3) . . . . ?
C4 C5 C6 C1 1.3(4) . . . . ?
C6 C1 C2 P1 -171.76(16) . . . . ?
C6 C1 C2 C3 4.6(3) . . . . ?
C7 C4 C5 C6 -178.8(2) . . . . ?
C8 N1 C1 C2 164.09(19) . . . . ?
C8 N1 C1 C6 -20.6(3) . . . . ?
C8 C9 C10 C11 1.2(3) . . . . ?
C9 C8 C13 P2 -169.28(16) . . . . ?
C9 C8 C13 C12 5.1(3) . . . . ?
C9 C10 C11 C12 3.0(3) . . . . ?
C9 C10 C11 C14 -177.6(2) . . . . ?
C10 C11 C12 C13 -3.1(3) . . . . ?
C11 C12 C13 P2 172.59(17) . . . . ?
C11 C12 C13 C8 -1.0(3) . . . . ?
C13 P2 C28 C29 61.74(17) . . . . ?
C13 P2 C28 C30 -64.31(18) . . . . ?
C13 P2 C31 C32 167.87(15) . . . . ?
C13 P2 C31 C33 -68.28(17) . . . . ?
C13 C8 C9 C10 -5.3(3) . . . . ?
C14 C11 C12 C13 177.5(2) . . . . ?
C15 C16 C17 C18 0.6(4) . . . . ?
C16 C15 C20 C19 -0.9(3) . . . . ?
C16 C17 C18 C19 -1.0(3) . . . . ?
C16 C17 C18 C21 180.0(2) . . . . ?
C17 C18 C19 C20 0.4(3) . . . . ?
C18 C19 C20 C15 0.6(4) . . . . ?
C20 C15 C16 C17 0.4(3) . . . . ?
C21 C18 C19 C20 179.5(2) . . . . ?
C22 P1 C2 C1 133.38(16) . . . . ?
C22 P1 C2 C3 -42.9(2) . . . . ?
C22 P1 C25 C26 51.40(19) . . . . ?
C22 P1 C25 C27 175.58(17) . . . . ?
C25 P1 C2 C1 -114.41(17) . . . . ?
C25 P1 C2 C3 69.4(2) . . . . ?
C25 P1 C22 C23 176.64(16) . . . . ?
C25 P1 C22 C24 52.98(19) . . . . ?
C28 P2 C13 C8 -111.47(16) . . . . ?
C28 P2 C13 C12 74.5(2) . . . . ?
C28 P2 C31 C32 54.18(17) . . . . ?
C28 P2 C31 C33 178.04(15) . . . . ?
C31 P2 C13 C8 137.14(16) . . . . ?
C31 P2 C13 C12 -36.9(2) . . . . ?
C31 P2 C28 C29 174.46(15) . . . . ?
C31 P2 C28 C30 48.40(18) . . . . ?

_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_monoc2c2
_database_code_depnum_ccdc_archive 'CCDC 1868268'
loop_
_audit_author_name
_audit_author_address
'Nattamai Bhuvanesh'
;Texas A&M University
United States of America
;
_audit_update_record             
;
2018-09-17 deposited with the CCDC.	2020-05-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            (PNP)Co(Ph)(OAc)
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H48 Co N O2 P2'
_chemical_formula_weight         623.60

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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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                   33.340(6)
_cell_length_b                   13.858(3)
_cell_length_c                   14.143(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.023(2)
_cell_angle_gamma                90
_cell_volume                     6453(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9884
_cell_measurement_theta_min      4.450
_cell_measurement_theta_max      57.509

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_F_000             2656
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.661
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.'
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37815
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_av_R_equivalents  0.0298
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.094
_diffrn_reflns_theta_max         28.912
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.938
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7986
_reflns_number_gt                6839
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0430P)²+4.8313P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7986
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0805
_refine_ls_wR_factor_gt          0.0760
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.10448(2) 0.82235(2) 0.01655(2) 0.01136(6) Uani 1 1 d . . . . .
P1 P 0.14082(2) 0.94628(2) -0.03063(2) 0.01172(8) Uani 1 1 d . . . . .
P2 P 0.08399(2) 0.68460(2) 0.07595(2) 0.01277(8) Uani 1 1 d . . . . .
H2 H 0.0125(7) 1.0089(16) 0.0973(16) 0.045(6) Uiso 1 1 d . . . . .
O2 O 0.09443(3) 0.89670(7) 0.14145(7) 0.0164(2) Uani 1 1 d . . . . .
O1 O 0.05109(3) 0.88821(7) 0.01002(7) 0.0160(2) Uani 1 1 d . . . . .
N1 N 0.15757(3) 0.76688(8) 0.05750(8) 0.0134(2) Uani 1 1 d . . . . .
C1 C 0.15715(4) 0.94183(10) -0.15070(10) 0.0156(3) Uani 1 1 d . . . . .
H1 H 0.1332 0.9264 -0.1979 0.019 Uiso 1 1 calc R U . . .
C2 C 0.18839(4) 0.86144(11) -0.15401(11) 0.0203(3) Uani 1 1 d . . . . .
H2A H 0.2142 0.8816 -0.1198 0.030 Uiso 1 1 calc R U . . .
H2B H 0.1910 0.8481 -0.2194 0.030 Uiso 1 1 calc R U . . .
H2C H 0.1796 0.8042 -0.1249 0.030 Uiso 1 1 calc R U . . .
C3 C 0.17497(5) 1.03647(11) -0.18129(11) 0.0228(3) Uani 1 1 d . . . . .
H3A H 0.1542 1.0851 -0.1897 0.034 Uiso 1 1 calc R U . . .
H3B H 0.1851 1.0269 -0.2405 0.034 Uiso 1 1 calc R U . . .
H3C H 0.1968 1.0567 -0.1328 0.034 Uiso 1 1 calc R U . . .
H3 H 0.0093(6) 0.9238(15) 0.1598(15) 0.040(6) Uiso 1 1 d . . . . .
C4 C 0.12591(4) 1.07349(10) -0.01770(10) 0.0175(3) Uani 1 1 d . . . . .
H4 H 0.1471 1.1137 -0.0386 0.021 Uiso 1 1 calc R U . . .
C5 C 0.08635(5) 1.09359(12) -0.08603(13) 0.0263(3) Uani 1 1 d . . . . .
H5A H 0.0653 1.0523 -0.0702 0.040 Uiso 1 1 calc R U . . .
H5B H 0.0904 1.0813 -0.1507 0.040 Uiso 1 1 calc R U . . .
H5C H 0.0786 1.1598 -0.0800 0.040 Uiso 1 1 calc R U . . .
H5 H 0.0417(6) 1.0039(15) 0.1980(15) 0.035(5) Uiso 1 1 d . . . . .
C6 C 0.12277(5) 1.10304(11) 0.08498(12) 0.0259(3) Uani 1 1 d . . . . .
H6A H 0.1474 1.0857 0.1264 0.039 Uiso 1 1 calc R U . . .
H6B H 0.1002 1.0704 0.1054 0.039 Uiso 1 1 calc R U . . .
H6C H 0.1188 1.1715 0.0877 0.039 Uiso 1 1 calc R U . . .
C7 C 0.18647(4) 0.92521(10) 0.05321(9) 0.0129(3) Uani 1 1 d . . . . .
C8 C 0.21708(4) 0.99242(10) 0.08268(10) 0.0158(3) Uani 1 1 d . . . . .
H8 H 0.2143 1.0548 0.0584 0.019 Uiso 1 1 calc R U . . .
C9 C 0.25143(4) 0.96880(11) 0.14713(10) 0.0178(3) Uani 1 1 d . . . . .
C10 C 0.25409(4) 0.87443(11) 0.18198(10) 0.0186(3) Uani 1 1 d . . . . .
H10 H 0.2768 0.8567 0.2254 0.022 Uiso 1 1 calc R U . . .
C11 C 0.22425(4) 0.80637(10) 0.15440(10) 0.0167(3) Uani 1 1 d . . . . .
H11 H 0.2271 0.7446 0.1802 0.020 Uiso 1 1 calc R U . . .
C12 C 0.18961(4) 0.82952(9) 0.08763(9) 0.0125(3) Uani 1 1 d . . . . .
C13 C 0.16237(4) 0.66721(10) 0.06198(9) 0.0133(3) Uani 1 1 d . . . . .
C14 C 0.12756(4) 0.61075(10) 0.06796(9) 0.0142(3) Uani 1 1 d . . . . .
C15 C 0.12905(4) 0.51042(10) 0.06545(10) 0.0167(3) Uani 1 1 d . . . . .
H15 H 0.1056 0.4751 0.0692 0.020 Uiso 1 1 calc R U . . .
C16 C 0.16497(5) 0.46188(10) 0.05745(10) 0.0183(3) Uani 1 1 d . . . . .
C17 C 0.16658(5) 0.35334(11) 0.05274(12) 0.0267(3) Uani 1 1 d . . . . .
H17A H 0.1871 0.3342 0.0159 0.040 Uiso 1 1 calc R U . . .
H17B H 0.1407 0.3291 0.0229 0.040 Uiso 1 1 calc R U . . .
H17C H 0.1730 0.3276 0.1163 0.040 Uiso 1 1 calc R U . . .
C18 C 0.19906(4) 0.51805(10) 0.05099(10) 0.0181(3) Uani 1 1 d . . . . .
H18 H 0.2234 0.4872 0.0456 0.022 Uiso 1 1 calc R U . . .
C19 C 0.19822(4) 0.61792(10) 0.05223(10) 0.0158(3) Uani 1 1 d . . . . .
H19 H 0.2216 0.6526 0.0466 0.019 Uiso 1 1 calc R U . . .
C20 C 0.03789(4) 0.61786(11) 0.02537(11) 0.0191(3) Uani 1 1 d . . . . .
H20 H 0.0372 0.5591 0.0636 0.023 Uiso 1 1 calc R U . . .
C21 C 0.03638(5) 0.58646(12) -0.07861(11) 0.0259(3) Uani 1 1 d . . . . .
H21A H 0.0337 0.6423 -0.1193 0.039 Uiso 1 1 calc R U . . .
H21B H 0.0136 0.5445 -0.0966 0.039 Uiso 1 1 calc R U . . .
H21C H 0.0610 0.5529 -0.0853 0.039 Uiso 1 1 calc R U . . .
C22 C 0.00040(5) 0.67759(12) 0.03777(13) 0.0261(3) Uani 1 1 d . . . . .
H22A H 0.0020 0.6960 0.1037 0.039 Uiso 1 1 calc R U . . .
H22B H -0.0236 0.6398 0.0188 0.039 Uiso 1 1 calc R U . . .
H22C H -0.0006 0.7344 -0.0014 0.039 Uiso 1 1 calc R U . . .
C23 C 0.08142(4) 0.68934(10) 0.20665(10) 0.0177(3) Uani 1 1 d . . . . .
H23 H 0.0634 0.7429 0.2171 0.021 Uiso 1 1 calc R U . . .
C24 C 0.12351(5) 0.71214(11) 0.26219(10) 0.0219(3) Uani 1 1 d . . . . .
H24A H 0.1348 0.7665 0.2335 0.033 Uiso 1 1 calc R U . . .
H24B H 0.1409 0.6572 0.2606 0.033 Uiso 1 1 calc R U . . .
H24C H 0.1212 0.7271 0.3274 0.033 Uiso 1 1 calc R U . . .
C25 C 0.06461(5) 0.59840(12) 0.24702(12) 0.0267(3) Uani 1 1 d . . . . .
H25A H 0.0664 0.6046 0.3152 0.040 Uiso 1 1 calc R U . . .
H25B H 0.0801 0.5435 0.2325 0.040 Uiso 1 1 calc R U . . .
H25C H 0.0367 0.5900 0.2188 0.040 Uiso 1 1 calc R U . . .
C26 C 0.28451(5) 1.04117(12) 0.17871(11) 0.0251(3) Uani 1 1 d . . . . .
H26A H 0.2757 1.1041 0.1560 0.038 Uiso 1 1 calc R U . . .
H26B H 0.3085 1.0237 0.1529 0.038 Uiso 1 1 calc R U . . .
H26C H 0.2905 1.0419 0.2473 0.038 Uiso 1 1 calc R U . . .
C28 C 0.02866(5) 0.96908(13) 0.14251(12) 0.0243(3) Uani 1 1 d . . . . .
C29 C 0.09545(4) 0.76985(10) -0.11222(10) 0.0154(3) Uani 1 1 d . . . . .
C30 C 0.11772(4) 0.69656(10) -0.14717(10) 0.0183(3) Uani 1 1 d . . . . .
H30 H 0.1399 0.6703 -0.1074 0.022 Uiso 1 1 calc R U . . .
C31 C 0.10757(5) 0.66179(11) -0.24013(11) 0.0215(3) Uani 1 1 d . . . . .
H31 H 0.1230 0.6129 -0.2616 0.026 Uiso 1 1 calc R U . . .
C32 C 0.07474(5) 0.69942(12) -0.30076(11) 0.0237(3) Uani 1 1 d . . . . .
H32 H 0.0676 0.6754 -0.3625 0.028 Uiso 1 1 calc R U . . .
C33 C 0.05254(5) 0.77351(12) -0.26818(11) 0.0224(3) Uani 1 1 d . . . . .
H33 H 0.0305 0.7998 -0.3085 0.027 Uiso 1 1 calc R U . . .
C34 C 0.06302(4) 0.80876(10) -0.17531(10) 0.0184(3) Uani 1 1 d . . . . .
H34 H 0.0481 0.8592 -0.1549 0.022 Uiso 1 1 calc R U . . .
C35 C 0.05972(4) 0.91610(10) 0.09642(10) 0.0159(3) Uani 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 N1 1.9334(12) . ?
Co1 C29 1.9402(14) . ?
Co1 O1 1.9897(10) . ?
Co1 O2 2.1166(10) . ?
Co1 P2 2.2353(5) . ?
Co1 P1 2.2619(5) . ?
Co1 C35 2.3915(14) . ?
P1 C7 1.8004(14) . ?
P1 C4 1.8484(14) . ?
P1 C1 1.8638(14) . ?
P2 C14 1.7950(14) . ?
P2 C20 1.8395(15) . ?
P2 C23 1.8650(15) . ?
O2 C35 1.2591(17) . ?
O1 C35 1.2709(17) . ?
N1 C12 1.3904(17) . ?
N1 C13 1.3907(17) . ?
C1 C3 1.530(2) . ?
C1 C2 1.531(2) . ?
C1 H1 0.9800 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C6 1.528(2) . ?
C4 C5 1.533(2) . ?
C4 H4 0.9800 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.3960(18) . ?
C7 C12 1.4107(19) . ?
C8 C9 1.387(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.396(2) . ?
C9 C26 1.506(2) . ?
C10 C11 1.382(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.4093(19) . ?
C11 H11 0.9300 . ?
C13 C19 1.4023(19) . ?
C13 C14 1.4130(19) . ?
C14 C15 1.3919(19) . ?
C15 C16 1.394(2) . ?
C15 H15 0.9300 . ?
C16 C18 1.392(2) . ?
C16 C17 1.507(2) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.384(2) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.527(2) . ?
C20 C22 1.532(2) . ?
C20 H20 0.9800 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C25 1.526(2) . ?
C23 C24 1.530(2) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C28 C35 1.499(2) . ?
C28 H2 0.95(2) . ?
C28 H3 0.96(2) . ?
C28 H5 0.96(2) . ?
C29 C30 1.394(2) . ?
C29 C34 1.398(2) . ?
C30 C31 1.391(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.382(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.386(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.394(2) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?

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 C29 97.59(5) . . ?
N1 Co1 O1 165.17(4) . . ?
C29 Co1 O1 97.04(5) . . ?
N1 Co1 O2 101.59(4) . . ?
C29 Co1 O2 160.79(5) . . ?
O1 Co1 O2 63.76(4) . . ?
N1 Co1 P2 82.38(4) . . ?
C29 Co1 P2 91.20(4) . . ?
O1 Co1 P2 94.89(3) . . ?
O2 Co1 P2 90.24(3) . . ?
N1 Co1 P1 83.26(4) . . ?
C29 Co1 P1 91.10(4) . . ?
O1 Co1 P1 98.91(3) . . ?
O2 Co1 P1 92.23(3) . . ?
P2 Co1 P1 165.629(15) . . ?
N1 Co1 C35 133.18(5) . . ?
C29 Co1 C35 129.10(6) . . ?
O1 Co1 C35 32.09(4) . . ?
O2 Co1 C35 31.69(4) . . ?
P2 Co1 C35 92.08(4) . . ?
P1 Co1 C35 97.45(4) . . ?
C7 P1 C4 107.59(6) . . ?
C7 P1 C1 104.91(6) . . ?
C4 P1 C1 104.08(6) . . ?
C7 P1 Co1 96.85(5) . . ?
C4 P1 Co1 122.01(5) . . ?
C1 P1 Co1 119.35(5) . . ?
C14 P2 C20 108.90(7) . . ?
C14 P2 C23 104.23(6) . . ?
C20 P2 C23 103.75(7) . . ?
C14 P2 Co1 99.50(5) . . ?
C20 P2 Co1 124.69(5) . . ?
C23 P2 Co1 114.00(5) . . ?
C35 O2 Co1 86.27(8) . . ?
C35 O1 Co1 91.64(8) . . ?
C12 N1 C13 121.93(11) . . ?
C12 N1 Co1 117.83(9) . . ?
C13 N1 Co1 120.11(9) . . ?
C3 C1 C2 108.59(12) . . ?
C3 C1 P1 114.28(10) . . ?
C2 C1 P1 110.44(9) . . ?
C3 C1 H1 107.8 . . ?
C2 C1 H1 107.8 . . ?
P1 C1 H1 107.8 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 111.71(13) . . ?
C6 C4 P1 114.15(10) . . ?
C5 C4 P1 109.21(10) . . ?
C6 C4 H4 107.1 . . ?
C5 C4 H4 107.1 . . ?
P1 C4 H4 107.1 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C12 120.85(12) . . ?
C8 C7 P1 126.24(11) . . ?
C12 C7 P1 112.89(10) . . ?
C9 C8 C7 121.91(13) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C8 C9 C10 116.97(13) . . ?
C8 C9 C26 121.93(14) . . ?
C10 C9 C26 121.10(13) . . ?
C11 C10 C9 122.47(13) . . ?
C11 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
C10 C11 C12 120.78(13) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
N1 C12 C11 124.93(12) . . ?
N1 C12 C7 117.98(12) . . ?
C11 C12 C7 116.99(12) . . ?
N1 C13 C19 124.95(12) . . ?
N1 C13 C14 117.58(12) . . ?
C19 C13 C14 117.20(12) . . ?
C15 C14 C13 121.24(13) . . ?
C15 C14 P2 127.13(11) . . ?
C13 C14 P2 111.62(10) . . ?
C14 C15 C16 121.25(13) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C18 C16 C15 117.14(13) . . ?
C18 C16 C17 121.34(13) . . ?
C15 C16 C17 121.49(14) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C16 122.68(13) . . ?
C19 C18 H18 118.7 . . ?
C16 C18 H18 118.7 . . ?
C18 C19 C13 120.48(13) . . ?
C18 C19 H19 119.8 . . ?
C13 C19 H19 119.8 . . ?
C21 C20 C22 111.09(13) . . ?
C21 C20 P2 114.66(10) . . ?
C22 C20 P2 109.31(10) . . ?
C21 C20 H20 107.1 . . ?
C22 C20 H20 107.1 . . ?
P2 C20 H20 107.1 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 109.85(13) . . ?
C25 C23 P2 114.74(11) . . ?
C24 C23 P2 109.60(10) . . ?
C25 C23 H23 107.5 . . ?
C24 C23 H23 107.5 . . ?
P2 C23 H23 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C9 C26 H26A 109.5 . . ?
C9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C35 C28 H2 110.5(13) . . ?
C35 C28 H3 109.2(12) . . ?
H2 C28 H3 102.6(17) . . ?
C35 C28 H5 110.1(12) . . ?
H2 C28 H5 113.3(18) . . ?
H3 C28 H5 110.9(17) . . ?
C30 C29 C34 117.17(13) . . ?
C30 C29 Co1 126.39(11) . . ?
C34 C29 Co1 116.43(11) . . ?
C31 C30 C29 121.56(14) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C32 C31 C30 120.47(14) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C33 119.04(14) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C32 C33 C34 120.33(14) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C29 121.39(14) . . ?
C33 C34 H34 119.3 . . ?
C29 C34 H34 119.3 . . ?
O2 C35 O1 118.24(12) . . ?
O2 C35 C28 121.81(13) . . ?
O1 C35 C28 119.94(13) . . ?
O2 C35 Co1 62.03(7) . . ?
O1 C35 Co1 56.27(7) . . ?
C28 C35 Co1 174.89(11) . . ?

_refine_diff_density_max         0.410
_refine_diff_density_min         -0.331
_refine_diff_density_rms         0.057

_shelxl_version_number           2014-1

