#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:07:58 +0300 (Fri, 05 May 2023) $
#$Revision: 283426 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/23/7062343.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7062343
loop_
_publ_author_name
'Kazakov, Gennady G.'
'Druzhkov, Nikolay O.'
'Rumyantcev, Roman V.'
'Fukin, Georgy K.'
'Starikov, Andrey G.'
'Piskunov, Alexandr V.'
'Cherkasov, Vladimir K.'
_publ_section_title
;
 The reactivity of N-heterocyclic diphospholenes towards iron triad
 carbonyls
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5953
_journal_page_last               5960
_journal_paper_doi               10.1039/D3NJ00450C
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C41 H42 Co N2 O3 P'
_chemical_formula_sum            'C41 H42 Co N2 O3 P'
_chemical_formula_weight         700.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-02-27 deposited with the CCDC.	2023-03-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.3690(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1235(2)
_cell_length_b                   12.3282(2)
_cell_length_c                   21.0680(3)
_cell_measurement_reflns_used    14051
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.9540
_cell_measurement_theta_min      3.0340
_cell_volume                     3667.26(9)
_computing_cell_refinement       'CrysAlis Pro'
_computing_data_collection       'CrysAlis Pro'
_computing_data_reduction        'CrysAlis Pro'
_computing_molecular_graphics    Mercury
_computing_publication_material  Mercury
_computing_structure_refinement  SHELXL-2017/1
_computing_structure_solution    SHELXT-2014/5
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur EOS (CCD)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0334
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52679
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.698
_diffrn_reflns_theta_min         2.902
_diffrn_source                   'fine focus sealed tube'
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.468
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlis Pro 1.171.38.46. Numerical absorption correction based on gaussian
integration over a multifaceted crystal model. Empirical absorption correction
using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_description       prism
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         9476
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0347
_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)+(0.0380P)²+1.3500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0855
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7604
_reflns_number_total             9476
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj00450c3.cif
_cod_data_source_block           coco3dzp
_cod_depositor_comments
'Adding full bibliography for 7062340--7062343.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7062343
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.818
_shelx_estimated_absorpt_t_max   0.942
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'
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 0.27760(2) 0.76017(2) 0.26126(2) 0.01473(6) Uani 1 1 d . . . . .
P1 P 0.26764(3) 0.59865(3) 0.26187(2) 0.01220(8) Uani 1 1 d . . . . .
N1 N 0.28182(8) 0.50331(9) 0.31779(5) 0.0115(2) Uani 1 1 d . . . . .
N2 N 0.24892(8) 0.50225(10) 0.20741(5) 0.0119(2) Uani 1 1 d . . . . .
C1 C 0.27409(9) 0.39645(11) 0.29529(6) 0.0116(3) Uani 1 1 d . . . . .
C2 C 0.25475(9) 0.39573(11) 0.23069(6) 0.0119(3) Uani 1 1 d . . . . .
C3 C 0.24441(10) 0.29625(12) 0.19539(7) 0.0134(3) Uani 1 1 d . . . . .
C4 C 0.22579(11) 0.29197(12) 0.12906(7) 0.0169(3) Uani 1 1 d . . . . .
H4A H 0.219579 0.357562 0.105668 0.020 Uiso 1 1 calc R U . . .
C5 C 0.21656(11) 0.19421(13) 0.09804(7) 0.0193(3) Uani 1 1 d . . . . .
H5A H 0.203700 0.192699 0.053578 0.023 Uiso 1 1 calc R U . . .
C6 C 0.22604(11) 0.09753(12) 0.13170(7) 0.0195(3) Uani 1 1 d . . . . .
H6A H 0.220094 0.030105 0.110146 0.023 Uiso 1 1 calc R U . . .
C7 C 0.24400(10) 0.09948(12) 0.19607(7) 0.0178(3) Uani 1 1 d . . . . .
H7A H 0.250329 0.032816 0.218391 0.021 Uiso 1 1 calc R U . . .
C8 C 0.25330(10) 0.19785(12) 0.22993(7) 0.0140(3) Uani 1 1 d . . . . .
C9 C 0.27139(10) 0.19877(12) 0.29848(7) 0.0137(3) Uani 1 1 d . . . . .
C10 C 0.27623(11) 0.10137(12) 0.33378(7) 0.0191(3) Uani 1 1 d . . . . .
H10A H 0.268166 0.034166 0.312260 0.023 Uiso 1 1 calc R U . . .
C11 C 0.29230(11) 0.10117(13) 0.39840(8) 0.0211(3) Uani 1 1 d . . . . .
H11A H 0.293576 0.034596 0.421109 0.025 Uiso 1 1 calc R U . . .
C12 C 0.30671(11) 0.19887(13) 0.43055(7) 0.0192(3) Uani 1 1 d . . . . .
H12A H 0.319051 0.198675 0.475073 0.023 Uiso 1 1 calc R U . . .
C13 C 0.30311(10) 0.29556(12) 0.39796(7) 0.0160(3) Uani 1 1 d . . . . .
H13A H 0.313987 0.361609 0.420187 0.019 Uiso 1 1 calc R U . . .
C14 C 0.28342(10) 0.29797(12) 0.33172(7) 0.0132(3) Uani 1 1 d . . . . .
C15 C 0.28313(10) 0.54004(11) 0.38319(6) 0.0130(3) Uani 1 1 d . . . . .
C16 C 0.36763(10) 0.58220(12) 0.40890(7) 0.0149(3) Uani 1 1 d . . . . .
C17 C 0.36511(11) 0.62231(13) 0.47057(7) 0.0204(3) Uani 1 1 d . . . . .
H17A H 0.421012 0.652101 0.489517 0.025 Uiso 1 1 calc R U . . .
C18 C 0.28290(12) 0.61967(13) 0.50481(7) 0.0230(3) Uani 1 1 d . . . . .
H18A H 0.283159 0.646472 0.547086 0.028 Uiso 1 1 calc R U . . .
C19 C 0.20044(11) 0.57835(13) 0.47798(7) 0.0206(3) Uani 1 1 d . . . . .
H19A H 0.144420 0.577228 0.502047 0.025 Uiso 1 1 calc R U . . .
C20 C 0.19808(10) 0.53813(12) 0.41595(7) 0.0164(3) Uani 1 1 d . . . . .
C21 C 0.45935(10) 0.58287(12) 0.37256(7) 0.0184(3) Uani 1 1 d . . . . .
H21A H 0.442144 0.582906 0.326245 0.022 Uiso 1 1 calc R U . . .
C22 C 0.51611(13) 0.48046(16) 0.38632(10) 0.0363(5) Uani 1 1 d . . . . .
H22A H 0.478287 0.416817 0.374114 0.054 Uiso 1 1 calc R U . . .
H22B H 0.532290 0.476882 0.431766 0.054 Uiso 1 1 calc R U . . .
H22C H 0.574341 0.481629 0.361955 0.054 Uiso 1 1 calc R U . . .
C23 C 0.51901(13) 0.68357(15) 0.38599(10) 0.0353(4) Uani 1 1 d . . . . .
H23A H 0.479277 0.748396 0.381391 0.053 Uiso 1 1 calc R U . . .
H23B H 0.570702 0.687111 0.355843 0.053 Uiso 1 1 calc R U . . .
H23C H 0.545449 0.680003 0.429372 0.053 Uiso 1 1 calc R U . . .
C24 C 0.10577(11) 0.49681(15) 0.38666(7) 0.0229(3) Uani 1 1 d . . . . .
H24A H 0.119722 0.467136 0.343711 0.027 Uiso 1 1 calc R U . . .
C25 C 0.03531(13) 0.59004(18) 0.37768(9) 0.0374(5) Uani 1 1 d . . . . .
H25A H 0.062998 0.646023 0.350809 0.056 Uiso 1 1 calc R U . . .
H25B H 0.020842 0.621202 0.419132 0.056 Uiso 1 1 calc R U . . .
H25C H -0.023071 0.562653 0.357355 0.056 Uiso 1 1 calc R U . . .
C26 C 0.06359(12) 0.40472(16) 0.42592(9) 0.0315(4) Uani 1 1 d . . . . .
H26A H 0.109100 0.344862 0.429235 0.047 Uiso 1 1 calc R U . . .
H26B H 0.004998 0.378967 0.405115 0.047 Uiso 1 1 calc R U . . .
H26C H 0.049717 0.431473 0.468503 0.047 Uiso 1 1 calc R U . . .
C27 C 0.21512(10) 0.53720(11) 0.14516(6) 0.0131(3) Uani 1 1 d . . . . .
C28 C 0.11720(10) 0.54435(13) 0.13412(7) 0.0178(3) Uani 1 1 d . . . . .
C29 C 0.08634(11) 0.57838(15) 0.07405(8) 0.0247(4) Uani 1 1 d . . . . .
H29A H 0.020351 0.582908 0.064602 0.030 Uiso 1 1 calc R U . . .
C30 C 0.15024(12) 0.60566(14) 0.02797(7) 0.0237(3) Uani 1 1 d . . . . .
H30A H 0.127851 0.627761 -0.012898 0.028 Uiso 1 1 calc R U . . .
C31 C 0.24647(11) 0.60095(13) 0.04106(7) 0.0188(3) Uani 1 1 d . . . . .
H31A H 0.289464 0.621375 0.009184 0.023 Uiso 1 1 calc R U . . .
C32 C 0.28168(10) 0.56687(11) 0.10000(7) 0.0140(3) Uani 1 1 d . . . . .
C33 C 0.04549(11) 0.51801(15) 0.18460(8) 0.0258(4) Uani 1 1 d . . . . .
H33A H 0.081398 0.498172 0.224406 0.031 Uiso 1 1 calc R U . . .
C34 C -0.01568(15) 0.4213(2) 0.16529(11) 0.0511(6) Uani 1 1 d . . . . .
H34A H 0.024920 0.358388 0.157637 0.077 Uiso 1 1 calc R U . . .
H34B H -0.052009 0.438781 0.126425 0.077 Uiso 1 1 calc R U . . .
H34C H -0.059316 0.404401 0.199392 0.077 Uiso 1 1 calc R U . . .
C35 C -0.01543(13) 0.6174(2) 0.19899(10) 0.0431(5) Uani 1 1 d . . . . .
H35A H 0.025531 0.677494 0.212862 0.065 Uiso 1 1 calc R U . . .
H35B H -0.059450 0.599619 0.232707 0.065 Uiso 1 1 calc R U . . .
H35C H -0.051329 0.638749 0.160615 0.065 Uiso 1 1 calc R U . . .
C36 C 0.38745(10) 0.56155(13) 0.11367(7) 0.0183(3) Uani 1 1 d . . . . .
H36A H 0.397233 0.549515 0.160301 0.022 Uiso 1 1 calc R U . . .
C37 C 0.43164(13) 0.46616(16) 0.07918(12) 0.0433(5) Uani 1 1 d . . . . .
H37A H 0.401195 0.398631 0.092321 0.065 Uiso 1 1 calc R U . . .
H37B H 0.499520 0.462819 0.089780 0.065 Uiso 1 1 calc R U . . .
H37C H 0.422636 0.475685 0.033247 0.065 Uiso 1 1 calc R U . . .
C38 C 0.43736(12) 0.66670(14) 0.09653(10) 0.0307(4) Uani 1 1 d . . . . .
H38A H 0.405095 0.728004 0.116238 0.046 Uiso 1 1 calc R U . . .
H38B H 0.435804 0.675784 0.050302 0.046 Uiso 1 1 calc R U . . .
H38C H 0.503303 0.663961 0.112011 0.046 Uiso 1 1 calc R U . . .
C39 C 0.24886(12) 0.80623(12) 0.33836(8) 0.0217(3) Uani 1 1 d . . . . .
C40 C 0.39692(13) 0.80270(16) 0.25127(9) 0.0322(4) Uani 1 1 d . . . . .
C41 C 0.20706(12) 0.80982(13) 0.19632(8) 0.0221(3) Uani 1 1 d . . . . .
O1 O 0.23340(10) 0.83330(10) 0.38905(6) 0.0330(3) Uani 1 1 d . . . . .
O2 O 0.47405(11) 0.82889(15) 0.24672(9) 0.0613(5) Uani 1 1 d . . . . .
O3 O 0.16267(10) 0.83916(10) 0.15342(6) 0.0347(3) Uani 1 1 d . . . . .
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'
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
C39 Co1 C41 117.16(7) . . ?
C39 Co1 C40 104.55(8) . . ?
C41 Co1 C40 108.73(8) . . ?
C39 Co1 P1 107.18(5) . . ?
C41 Co1 P1 108.03(5) . . ?
C40 Co1 P1 111.17(6) . . ?
N2 P1 N1 89.89(6) . . ?
N2 P1 Co1 135.74(4) . . ?
N1 P1 Co1 134.27(5) . . ?
C1 N1 C15 127.82(11) . . ?
C1 N1 P1 114.50(9) . . ?
C15 N1 P1 116.64(9) . . ?
C2 N2 C27 127.53(12) . . ?
C2 N2 P1 114.78(9) . . ?
C27 N2 P1 116.97(9) . . ?
C2 C1 N1 110.53(12) . . ?
C2 C1 C14 122.19(13) . . ?
N1 C1 C14 127.28(12) . . ?
C1 C2 N2 110.29(12) . . ?
C1 C2 C3 121.96(13) . . ?
N2 C2 C3 127.74(12) . . ?
C4 C3 C8 119.09(13) . . ?
C4 C3 C2 123.73(13) . . ?
C8 C3 C2 117.18(13) . . ?
C5 C4 C3 120.97(14) . . ?
C5 C4 H4A 119.5 . . ?
C3 C4 H4A 119.5 . . ?
C4 C5 C6 120.08(14) . . ?
C4 C5 H5A 120.0 . . ?
C6 C5 H5A 120.0 . . ?
C7 C6 C5 120.09(14) . . ?
C7 C6 H6A 120.0 . . ?
C5 C6 H6A 120.0 . . ?
C6 C7 C8 121.78(14) . . ?
C6 C7 H7A 119.1 . . ?
C8 C7 H7A 119.1 . . ?
C7 C8 C3 117.99(13) . . ?
C7 C8 C9 121.22(13) . . ?
C3 C8 C9 120.79(13) . . ?
C10 C9 C14 118.00(13) . . ?
C10 C9 C8 121.26(13) . . ?
C14 C9 C8 120.74(13) . . ?
C11 C10 C9 121.83(14) . . ?
C11 C10 H10A 119.1 . . ?
C9 C10 H10A 119.1 . . ?
C10 C11 C12 119.88(14) . . ?
C10 C11 H11A 120.1 . . ?
C12 C11 H11A 120.1 . . ?
C13 C12 C11 120.18(14) . . ?
C13 C12 H12A 119.9 . . ?
C11 C12 H12A 119.9 . . ?
C12 C13 C14 120.91(14) . . ?
C12 C13 H13A 119.5 . . ?
C14 C13 H13A 119.5 . . ?
C13 C14 C9 119.13(13) . . ?
C13 C14 C1 123.76(13) . . ?
C9 C14 C1 117.10(12) . . ?
C16 C15 C20 123.33(13) . . ?
C16 C15 N1 118.39(12) . . ?
C20 C15 N1 118.14(12) . . ?
C17 C16 C15 116.94(13) . . ?
C17 C16 C21 120.62(13) . . ?
C15 C16 C21 122.43(13) . . ?
C18 C17 C16 121.30(15) . . ?
C18 C17 H17A 119.3 . . ?
C16 C17 H17A 119.3 . . ?
C19 C18 C17 120.43(14) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 121.00(14) . . ?
C18 C19 H19A 119.5 . . ?
C20 C19 H19A 119.5 . . ?
C19 C20 C15 116.97(14) . . ?
C19 C20 C24 120.03(13) . . ?
C15 C20 C24 122.99(13) . . ?
C22 C21 C16 110.57(13) . . ?
C22 C21 C23 110.78(14) . . ?
C16 C21 C23 112.66(13) . . ?
C22 C21 H21A 107.5 . . ?
C16 C21 H21A 107.5 . . ?
C23 C21 H21A 107.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C24 C25 110.38(15) . . ?
C20 C24 C26 111.74(14) . . ?
C25 C24 C26 111.30(14) . . ?
C20 C24 H24A 107.7 . . ?
C25 C24 H24A 107.7 . . ?
C26 C24 H24A 107.7 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 123.14(13) . . ?
C28 C27 N2 118.13(12) . . ?
C32 C27 N2 118.66(12) . . ?
C29 C28 C27 117.15(13) . . ?
C29 C28 C33 120.02(14) . . ?
C27 C28 C33 122.82(13) . . ?
C30 C29 C28 121.05(15) . . ?
C30 C29 H29A 119.5 . . ?
C28 C29 H29A 119.5 . . ?
C31 C30 C29 120.34(14) . . ?
C31 C30 H30A 119.8 . . ?
C29 C30 H30A 119.8 . . ?
C30 C31 C32 121.31(14) . . ?
C30 C31 H31A 119.3 . . ?
C32 C31 H31A 119.3 . . ?
C31 C32 C27 116.96(13) . . ?
C31 C32 C36 120.79(13) . . ?
C27 C32 C36 122.24(13) . . ?
C28 C33 C34 111.31(15) . . ?
C28 C33 C35 110.74(15) . . ?
C34 C33 C35 111.22(16) . . ?
C28 C33 H33A 107.8 . . ?
C34 C33 H33A 107.8 . . ?
C35 C33 H33A 107.8 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C32 C36 C38 112.20(13) . . ?
C32 C36 C37 110.84(14) . . ?
C38 C36 C37 110.28(14) . . ?
C32 C36 H36A 107.8 . . ?
C38 C36 H36A 107.8 . . ?
C37 C36 H36A 107.8 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O1 C39 Co1 177.12(15) . . ?
O2 C40 Co1 177.88(18) . . ?
O3 C41 Co1 177.87(15) . . ?
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 C39 1.7767(16) . ?
Co1 C41 1.7816(17) . ?
Co1 C40 1.7823(18) . ?
Co1 P1 1.9962(4) . ?
P1 N2 1.6686(12) . ?
P1 N1 1.6729(12) . ?
N1 C1 1.4034(17) . ?
N1 C15 1.4500(17) . ?
N2 C2 1.4035(18) . ?
N2 C27 1.4503(17) . ?
C1 C2 1.3818(19) . ?
C1 C14 1.4407(19) . ?
C2 C3 1.4399(19) . ?
C3 C4 1.417(2) . ?
C3 C8 1.419(2) . ?
C4 C5 1.376(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.392(2) . ?
C5 H5A 0.9500 . ?
C6 C7 1.374(2) . ?
C6 H6A 0.9500 . ?
C7 C8 1.412(2) . ?
C7 H7A 0.9500 . ?
C8 C9 1.461(2) . ?
C9 C10 1.413(2) . ?
C9 C14 1.418(2) . ?
C10 C11 1.375(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.394(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.376(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.417(2) . ?
C13 H13A 0.9500 . ?
C15 C16 1.399(2) . ?
C15 C20 1.3998(19) . ?
C16 C17 1.392(2) . ?
C16 C21 1.520(2) . ?
C17 C18 1.382(2) . ?
C17 H17A 0.9500 . ?
C18 C19 1.380(2) . ?
C18 H18A 0.9500 . ?
C19 C20 1.398(2) . ?
C19 H19A 0.9500 . ?
C20 C24 1.517(2) . ?
C21 C22 1.520(2) . ?
C21 C23 1.523(2) . ?
C21 H21A 1.0000 . ?
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 C25 1.529(2) . ?
C24 C26 1.533(2) . ?
C24 H24A 1.0000 . ?
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 1.400(2) . ?
C27 C32 1.4019(19) . ?
C28 C29 1.393(2) . ?
C28 C33 1.521(2) . ?
C29 C30 1.383(2) . ?
C29 H29A 0.9500 . ?
C30 C31 1.382(2) . ?
C30 H30A 0.9500 . ?
C31 C32 1.392(2) . ?
C31 H31A 0.9500 . ?
C32 C36 1.516(2) . ?
C33 C34 1.522(3) . ?
C33 C35 1.532(3) . ?
C33 H33A 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C38 1.523(2) . ?
C36 C37 1.524(2) . ?
C36 H36A 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 O1 1.1448(19) . ?
C40 O2 1.142(2) . ?
C41 O3 1.146(2) . ?
