# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_complex1
_audit_block_doi                 10.5517/ccdc.csd.cc25l8rt
_database_code_depnum_ccdc_archive 'CCDC 2013566'
loop_
_audit_author_name
_audit_author_address
'Nai-Yuan Jheng'
;National Institute of Advanced Industrial Science and Technology
Japan
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H33 Cl Co N3 P2'
_chemical_formula_weight         712.01

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'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.996(5)
_cell_length_b                   12.777(5)
_cell_length_c                   13.167(5)
_cell_angle_alpha                80.538(5)
_cell_angle_beta                 72.079(5)
_cell_angle_gamma                71.390(5)
_cell_volume                     1663.6(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    3363
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    0.727
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.907
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_process_details   'Rigaku ABSCOR'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21248
_diffrn_reflns_av_unetI/netI     0.1267
_diffrn_reflns_av_R_equivalents  0.1826
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.144
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_full        25.240
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             7499
_reflns_number_gt                5855
_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       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for windows'
_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)+(0.0336P)²+23.8955P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7499
_refine_ls_number_parameters     425
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1191
_refine_ls_R_factor_gt           0.0954
_refine_ls_wR_factor_ref         0.2808
_refine_ls_wR_factor_gt          0.2659
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.000
_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 0.20526(9) 0.20872(7) 0.84032(7) 0.0118(2) Uani 1 1 d . . . . .
Cl1 Cl 0.31422(17) 0.03473(13) 0.76366(12) 0.0161(3) Uani 1 1 d . . . . .
P1 P 0.02298(18) 0.26587(14) 0.79106(13) 0.0141(4) Uani 1 1 d . . . . .
P2 P 0.33834(17) 0.29381(14) 0.72716(13) 0.0133(4) Uani 1 1 d . . . . .
N1 N 0.0944(6) 0.1657(4) 0.9728(4) 0.0149(11) Uani 1 1 d . . . . .
N2 N 0.3258(5) 0.1853(4) 0.9245(4) 0.0124(11) Uani 1 1 d . . . . .
C1 C -0.0938(8) 0.2069(6) 0.9004(6) 0.0212(15) Uani 1 1 d . . . . .
H22 H -0.1773 0.2638 0.9241 0.025 Uiso 1 1 calc R U . . .
H23 H -0.1124 0.1482 0.8748 0.025 Uiso 1 1 calc R U . . .
C2 C -0.0337(7) 0.1620(5) 0.9914(5) 0.0167(14) Uani 1 1 d . . . . .
C3 C -0.0953(8) 0.1134(5) 1.0894(6) 0.0217(15) Uani 1 1 d . . . . .
H1 H -0.1817 0.1096 1.1017 0.026 Uiso 1 1 calc R U . . .
C4 C -0.0285(8) 0.0707(6) 1.1686(6) 0.0229(16) Uani 1 1 d . . . . .
H2 H -0.0701 0.0377 1.2324 0.027 Uiso 1 1 calc R U . . .
C5 C 0.1012(8) 0.0776(6) 1.1520(6) 0.0218(15) Uani 1 1 d . . . . .
C6 C 0.1822(9) 0.0400(6) 1.2244(6) 0.0250(17) Uani 1 1 d . . . . .
H3 H 0.1486 0.0061 1.2907 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4896(7) 0.2426(6) 0.7764(6) 0.0186(14) Uani 1 1 d . . . . .
H24 H 0.5560 0.1850 0.7330 0.022 Uiso 1 1 calc R U . . .
H25 H 0.5277 0.3026 0.7719 0.022 Uiso 1 1 calc R U . . .
C8 C 0.4509(7) 0.1989(5) 0.8875(6) 0.0198(15) Uani 1 1 d . . . . .
C9 C 0.5337(8) 0.1676(6) 0.9580(6) 0.0224(15) Uani 1 1 d . . . . .
H4 H 0.6176 0.1792 0.9347 0.027 Uiso 1 1 calc R U . . .
C10 C 0.4924(8) 0.1194(6) 1.0623(6) 0.0233(16) Uani 1 1 d . . . . .
H5 H 0.5481 0.0990 1.1072 0.028 Uiso 1 1 calc R U . . .
C11 C 0.3652(8) 0.1030(6) 1.0968(5) 0.0189(14) Uani 1 1 d . . . . .
C12 C 0.3086(9) 0.0521(6) 1.1996(5) 0.0245(17) Uani 1 1 d . . . . .
H6 H 0.3578 0.0273 1.2494 0.029 Uiso 1 1 calc R U . . .
C13 C 0.1572(7) 0.1261(5) 1.0517(5) 0.0149(13) Uani 1 1 d . . . . .
C14 C 0.2871(7) 0.1381(5) 1.0260(5) 0.0166(14) Uani 1 1 d . . . . .
C15 C 0.0000(7) 0.2268(5) 0.6719(5) 0.0159(13) Uani 1 1 d . . . . .
C16 C 0.1082(8) 0.1635(6) 0.5980(5) 0.0188(14) Uani 1 1 d . . . . .
H7 H 0.1932 0.1422 0.6077 0.023 Uiso 1 1 calc R U . . .
C17 C 0.0872(8) 0.1325(7) 0.5092(6) 0.0251(16) Uani 1 1 d . . . . .
H8 H 0.1586 0.0892 0.4604 0.030 Uiso 1 1 calc R U . . .
C18 C -0.0381(9) 0.1653(7) 0.4932(7) 0.0303(18) Uani 1 1 d . . . . .
H9 H -0.0502 0.1457 0.4328 0.036 Uiso 1 1 calc R U . . .
C19 C -0.1462(9) 0.2274(7) 0.5669(7) 0.0300(18) Uani 1 1 d . . . . .
H10 H -0.2312 0.2475 0.5572 0.036 Uiso 1 1 calc R U . . .
C20 C -0.1270(7) 0.2595(6) 0.6555(6) 0.0228(15) Uani 1 1 d . . . . .
H11 H -0.1989 0.3028 0.7039 0.027 Uiso 1 1 calc R U . . .
C21 C -0.0526(7) 0.4159(6) 0.7853(6) 0.0166(13) Uani 1 1 d . . . . .
C22 C -0.0300(7) 0.4781(6) 0.6871(6) 0.0198(14) Uani 1 1 d . . . . .
H29 H 0.0134 0.4427 0.6240 0.024 Uiso 1 1 calc R U . . .
C23 C -0.0723(9) 0.5931(7) 0.6840(7) 0.0293(18) Uani 1 1 d . . . . .
H30 H -0.0578 0.6345 0.6187 0.035 Uiso 1 1 calc R U . . .
C24 C -0.1360(9) 0.6461(7) 0.7776(8) 0.0326(19) Uani 1 1 d . . . . .
H31 H -0.1632 0.7230 0.7751 0.039 Uiso 1 1 calc R U . . .
C25 C -0.1594(8) 0.5851(7) 0.8752(7) 0.0299(18) Uani 1 1 d . . . . .
H32 H -0.2036 0.6211 0.9379 0.036 Uiso 1 1 calc R U . . .
C26 C -0.1167(7) 0.4702(6) 0.8793(6) 0.0219(15) Uani 1 1 d . . . . .
H33 H -0.1310 0.4294 0.9450 0.026 Uiso 1 1 calc R U . . .
C27 C 0.3934(7) 0.2651(6) 0.5864(5) 0.0187(14) Uani 1 1 d . . . . .
C28 C 0.4896(9) 0.1653(6) 0.5534(6) 0.0262(17) Uani 1 1 d . . . . .
H12 H 0.5342 0.1192 0.6011 0.031 Uiso 1 1 calc R U . . .
C29 C 0.5189(10) 0.1349(7) 0.4496(7) 0.034(2) Uani 1 1 d . . . . .
H13 H 0.5832 0.0690 0.4282 0.040 Uiso 1 1 calc R U . . .
C30 C 0.4526(10) 0.2023(8) 0.3790(6) 0.035(2) Uani 1 1 d . . . . .
H14 H 0.4711 0.1815 0.3102 0.042 Uiso 1 1 calc R U . . .
C31 C 0.3582(9) 0.3011(8) 0.4107(6) 0.034(2) Uani 1 1 d . . . . .
H15 H 0.3141 0.3473 0.3627 0.041 Uiso 1 1 calc R U . . .
C32 C 0.3290(8) 0.3316(7) 0.5147(6) 0.0259(16) Uani 1 1 d . . . . .
H16 H 0.2650 0.3979 0.5355 0.031 Uiso 1 1 calc R U . . .
C33 C 0.3038(7) 0.4440(6) 0.7217(5) 0.0157(13) Uani 1 1 d . . . . .
C34 C 0.2024(7) 0.5024(6) 0.8032(6) 0.0197(14) Uani 1 1 d . . . . .
H17 H 0.1532 0.4648 0.8587 0.024 Uiso 1 1 calc R U . . .
C35 C 0.1746(7) 0.6176(6) 0.8015(6) 0.0214(15) Uani 1 1 d . . . . .
H18 H 0.1068 0.6563 0.8558 0.026 Uiso 1 1 calc R U . . .
C36 C 0.2479(8) 0.6734(6) 0.7192(6) 0.0223(15) Uani 1 1 d . . . . .
H19 H 0.2291 0.7499 0.7177 0.027 Uiso 1 1 calc R U . . .
C37 C 0.3492(8) 0.6155(6) 0.6393(6) 0.0230(15) Uani 1 1 d . . . . .
H20 H 0.3988 0.6531 0.5841 0.028 Uiso 1 1 calc R U . . .
C38 C 0.3774(8) 0.5019(6) 0.6410(6) 0.0215(15) Uani 1 1 d . . . . .
H21 H 0.4467 0.4636 0.5873 0.026 Uiso 1 1 calc R U . . .
N3 N 0.6006(11) 0.4236(9) 0.8542(9) 0.061(3) Uani 1 1 d . . . . .
C40 C 0.5439(10) 0.5154(8) 0.8604(8) 0.038(2) Uani 1 1 d . . . . .
C41 C 0.4793(13) 0.6288(9) 0.8753(10) 0.055(3) Uani 1 1 d . . . . .
H26 H 0.4236 0.6370 0.9475 0.083 Uiso 1 1 calc R U . . .
H27 H 0.4254 0.6587 0.8264 0.083 Uiso 1 1 calc R U . . .
H28 H 0.5448 0.6678 0.8623 0.083 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 N2 1.901(5) . ?
Co1 N1 1.907(5) . ?
Co1 P1 2.164(2) . ?
Co1 P2 2.164(2) . ?
Co1 Cl1 2.3853(18) . ?
P1 C21 1.829(7) . ?
P1 C15 1.832(7) . ?
P1 C1 1.847(8) . ?
P2 C27 1.824(7) . ?
P2 C33 1.828(7) . ?
P2 C7 1.856(7) . ?
N1 C13 1.362(9) . ?
N1 C2 1.369(9) . ?
N2 C8 1.369(9) . ?
N2 C14 1.371(9) . ?
C1 C2 1.491(10) . ?
C2 C3 1.405(10) . ?
C3 C4 1.397(11) . ?
C4 C5 1.404(12) . ?
C5 C13 1.408(10) . ?
C5 C6 1.425(11) . ?
C6 C12 1.380(12) . ?
C7 C8 1.461(11) . ?
C8 C9 1.420(10) . ?
C9 C10 1.410(11) . ?
C10 C11 1.404(11) . ?
C11 C14 1.385(10) . ?
C11 C12 1.448(10) . ?
C13 C14 1.415(10) . ?
C15 C16 1.396(9) . ?
C15 C20 1.398(10) . ?
C16 C17 1.398(10) . ?
C17 C18 1.378(12) . ?
C18 C19 1.388(12) . ?
C19 C20 1.392(10) . ?
C21 C26 1.395(10) . ?
C21 C22 1.399(10) . ?
C22 C23 1.390(10) . ?
C23 C24 1.381(12) . ?
C24 C25 1.386(13) . ?
C25 C26 1.388(11) . ?
C27 C32 1.371(11) . ?
C27 C28 1.404(10) . ?
C28 C29 1.395(11) . ?
C29 C30 1.375(14) . ?
C30 C31 1.384(13) . ?
C31 C32 1.399(10) . ?
C33 C38 1.387(10) . ?
C33 C34 1.395(9) . ?
C34 C35 1.402(10) . ?
C35 C36 1.382(11) . ?
C36 C37 1.380(10) . ?
C37 C38 1.382(10) . ?
N3 C40 1.143(13) . ?
C40 C41 1.412(14) . ?

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
N2 Co1 N1 82.4(3) . . ?
N2 Co1 P1 160.42(17) . . ?
N1 Co1 P1 84.3(2) . . ?
N2 Co1 P2 83.79(19) . . ?
N1 Co1 P2 159.64(18) . . ?
P1 Co1 P2 104.79(8) . . ?
N2 Co1 Cl1 93.52(16) . . ?
N1 Co1 Cl1 101.04(17) . . ?
P1 Co1 Cl1 103.10(7) . . ?
P2 Co1 Cl1 94.69(7) . . ?
C21 P1 C15 102.6(3) . . ?
C21 P1 C1 106.3(3) . . ?
C15 P1 C1 102.1(3) . . ?
C21 P1 Co1 115.3(2) . . ?
C15 P1 Co1 125.5(2) . . ?
C1 P1 Co1 102.9(3) . . ?
C27 P2 C33 103.2(3) . . ?
C27 P2 C7 106.2(3) . . ?
C33 P2 C7 102.5(3) . . ?
C27 P2 Co1 119.3(2) . . ?
C33 P2 Co1 121.4(2) . . ?
C7 P2 Co1 102.0(2) . . ?
C13 N1 C2 119.0(6) . . ?
C13 N1 Co1 114.3(5) . . ?
C2 N1 Co1 126.5(5) . . ?
C8 N2 C14 119.2(6) . . ?
C8 N2 Co1 125.2(5) . . ?
C14 N2 Co1 115.1(5) . . ?
C2 C1 P1 109.5(5) . . ?
N1 C2 C3 119.3(7) . . ?
N1 C2 C1 115.1(6) . . ?
C3 C2 C1 125.5(7) . . ?
C4 C3 C2 121.0(7) . . ?
C3 C4 C5 120.3(7) . . ?
C4 C5 C13 115.7(7) . . ?
C4 C5 C6 127.4(7) . . ?
C13 C5 C6 116.9(7) . . ?
C12 C6 C5 122.3(7) . . ?
C8 C7 P2 108.1(5) . . ?
N2 C8 C9 118.3(7) . . ?
N2 C8 C7 116.6(6) . . ?
C9 C8 C7 125.1(7) . . ?
C10 C9 C8 121.9(7) . . ?
C11 C10 C9 118.5(7) . . ?
C14 C11 C10 117.2(7) . . ?
C14 C11 C12 117.0(7) . . ?
C10 C11 C12 125.8(7) . . ?
C6 C12 C11 120.6(7) . . ?
N1 C13 C5 124.7(7) . . ?
N1 C13 C14 114.5(6) . . ?
C5 C13 C14 120.8(7) . . ?
N2 C14 C11 124.9(7) . . ?
N2 C14 C13 112.7(6) . . ?
C11 C14 C13 122.4(6) . . ?
C16 C15 C20 119.7(6) . . ?
C16 C15 P1 120.5(5) . . ?
C20 C15 P1 119.8(5) . . ?
C15 C16 C17 119.3(7) . . ?
C18 C17 C16 120.8(7) . . ?
C17 C18 C19 120.2(7) . . ?
C18 C19 C20 119.7(7) . . ?
C19 C20 C15 120.3(7) . . ?
C26 C21 C22 119.4(6) . . ?
C26 C21 P1 120.4(6) . . ?
C22 C21 P1 119.6(5) . . ?
C23 C22 C21 119.9(7) . . ?
C24 C23 C22 120.2(8) . . ?
C23 C24 C25 120.3(7) . . ?
C24 C25 C26 120.0(7) . . ?
C25 C26 C21 120.2(7) . . ?
C32 C27 C28 118.7(7) . . ?
C32 C27 P2 120.9(6) . . ?
C28 C27 P2 119.8(6) . . ?
C29 C28 C27 120.5(8) . . ?
C30 C29 C28 120.0(8) . . ?
C29 C30 C31 119.8(7) . . ?
C30 C31 C32 120.1(8) . . ?
C27 C32 C31 120.9(8) . . ?
C38 C33 C34 118.7(6) . . ?
C38 C33 P2 122.4(5) . . ?
C34 C33 P2 118.9(5) . . ?
C33 C34 C35 120.1(7) . . ?
C36 C35 C34 120.0(6) . . ?
C37 C36 C35 119.8(7) . . ?
C36 C37 C38 120.3(7) . . ?
C37 C38 C33 121.0(6) . . ?
N3 C40 C41 174.9(11) . . ?

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
C21 P1 C1 C2 -110.5(5) . . . . ?
C15 P1 C1 C2 142.3(5) . . . . ?
Co1 P1 C1 C2 11.1(5) . . . . ?
C13 N1 C2 C3 -2.6(9) . . . . ?
Co1 N1 C2 C3 170.9(4) . . . . ?
C13 N1 C2 C1 -179.8(5) . . . . ?
Co1 N1 C2 C1 -6.4(8) . . . . ?
P1 C1 C2 N1 -4.7(7) . . . . ?
P1 C1 C2 C3 178.3(5) . . . . ?
N1 C2 C3 C4 1.1(9) . . . . ?
C1 C2 C3 C4 178.1(6) . . . . ?
C2 C3 C4 C5 1.1(10) . . . . ?
C3 C4 C5 C13 -1.8(9) . . . . ?
C3 C4 C5 C6 179.1(6) . . . . ?
C4 C5 C6 C12 -179.4(7) . . . . ?
C13 C5 C6 C12 1.4(10) . . . . ?
C27 P2 C7 C8 -145.1(5) . . . . ?
C33 P2 C7 C8 107.0(5) . . . . ?
Co1 P2 C7 C8 -19.4(5) . . . . ?
C14 N2 C8 C9 -2.7(9) . . . . ?
Co1 N2 C8 C9 -173.9(4) . . . . ?
C14 N2 C8 C7 175.9(6) . . . . ?
Co1 N2 C8 C7 4.7(8) . . . . ?
P2 C7 C8 N2 11.5(7) . . . . ?
P2 C7 C8 C9 -170.0(5) . . . . ?
N2 C8 C9 C10 2.5(10) . . . . ?
C7 C8 C9 C10 -175.9(6) . . . . ?
C8 C9 C10 C11 -0.4(10) . . . . ?
C9 C10 C11 C14 -1.5(9) . . . . ?
C9 C10 C11 C12 178.1(6) . . . . ?
C5 C6 C12 C11 -0.9(10) . . . . ?
C14 C11 C12 C6 -0.1(10) . . . . ?
C10 C11 C12 C6 -179.7(7) . . . . ?
C2 N1 C13 C5 2.0(9) . . . . ?
Co1 N1 C13 C5 -172.3(5) . . . . ?
C2 N1 C13 C14 -177.5(6) . . . . ?
Co1 N1 C13 C14 8.2(7) . . . . ?
C4 C5 C13 N1 0.3(9) . . . . ?
C6 C5 C13 N1 179.5(6) . . . . ?
C4 C5 C13 C14 179.7(6) . . . . ?
C6 C5 C13 C14 -1.0(9) . . . . ?
C8 N2 C14 C11 0.8(9) . . . . ?
Co1 N2 C14 C11 172.9(5) . . . . ?
C8 N2 C14 C13 -178.1(5) . . . . ?
Co1 N2 C14 C13 -6.0(7) . . . . ?
C10 C11 C14 N2 1.4(10) . . . . ?
C12 C11 C14 N2 -178.3(6) . . . . ?
C10 C11 C14 C13 -179.9(6) . . . . ?
C12 C11 C14 C13 0.5(9) . . . . ?
N1 C13 C14 N2 -1.5(8) . . . . ?
C5 C13 C14 N2 179.0(6) . . . . ?
N1 C13 C14 C11 179.6(6) . . . . ?
C5 C13 C14 C11 0.1(10) . . . . ?
C21 P1 C15 C16 127.8(6) . . . . ?
C1 P1 C15 C16 -122.2(6) . . . . ?
Co1 P1 C15 C16 -6.5(7) . . . . ?
C21 P1 C15 C20 -53.0(7) . . . . ?
C1 P1 C15 C20 57.0(7) . . . . ?
Co1 P1 C15 C20 172.7(5) . . . . ?
C20 C15 C16 C17 -0.9(11) . . . . ?
P1 C15 C16 C17 178.4(6) . . . . ?
C15 C16 C17 C18 1.2(12) . . . . ?
C16 C17 C18 C19 -1.7(13) . . . . ?
C17 C18 C19 C20 2.0(13) . . . . ?
C18 C19 C20 C15 -1.8(13) . . . . ?
C16 C15 C20 C19 1.2(12) . . . . ?
P1 C15 C20 C19 -178.1(6) . . . . ?
C15 P1 C21 C26 147.2(6) . . . . ?
C1 P1 C21 C26 40.4(7) . . . . ?
Co1 P1 C21 C26 -72.9(6) . . . . ?
C15 P1 C21 C22 -41.7(6) . . . . ?
C1 P1 C21 C22 -148.5(6) . . . . ?
Co1 P1 C21 C22 98.2(6) . . . . ?
C26 C21 C22 C23 -0.5(11) . . . . ?
P1 C21 C22 C23 -171.7(6) . . . . ?
C21 C22 C23 C24 0.4(12) . . . . ?
C22 C23 C24 C25 -0.7(13) . . . . ?
C23 C24 C25 C26 1.1(13) . . . . ?
C24 C25 C26 C21 -1.2(12) . . . . ?
C22 C21 C26 C25 0.9(11) . . . . ?
P1 C21 C26 C25 172.0(6) . . . . ?
C33 P2 C27 C32 -42.5(7) . . . . ?
C7 P2 C27 C32 -150.0(6) . . . . ?
Co1 P2 C27 C32 95.8(6) . . . . ?
C33 P2 C27 C28 147.0(6) . . . . ?
C7 P2 C27 C28 39.5(7) . . . . ?
Co1 P2 C27 C28 -74.8(7) . . . . ?
C32 C27 C28 C29 0.1(12) . . . . ?
P2 C27 C28 C29 170.8(6) . . . . ?
C27 C28 C29 C30 -0.5(13) . . . . ?
C28 C29 C30 C31 0.9(13) . . . . ?
C29 C30 C31 C32 -0.9(13) . . . . ?
C28 C27 C32 C31 0.0(11) . . . . ?
P2 C27 C32 C31 -170.7(6) . . . . ?
C30 C31 C32 C27 0.4(13) . . . . ?
C27 P2 C33 C38 -34.0(7) . . . . ?
C7 P2 C33 C38 76.2(7) . . . . ?
Co1 P2 C33 C38 -171.2(5) . . . . ?
C27 P2 C33 C34 147.9(6) . . . . ?
C7 P2 C33 C34 -101.9(6) . . . . ?
Co1 P2 C33 C34 10.8(7) . . . . ?
C38 C33 C34 C35 1.3(11) . . . . ?
P2 C33 C34 C35 179.4(6) . . . . ?
C33 C34 C35 C36 -0.2(12) . . . . ?
C34 C35 C36 C37 -0.6(12) . . . . ?
C35 C36 C37 C38 0.2(12) . . . . ?
C36 C37 C38 C33 0.9(12) . . . . ?
C34 C33 C38 C37 -1.7(11) . . . . ?
P2 C33 C38 C37 -179.7(6) . . . . ?

_refine_diff_density_max         1.992
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.167

####################################################################### 
# 
# 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_complex4
_audit_block_doi                 10.5517/ccdc.csd.cc25l8sv
_database_code_depnum_ccdc_archive 'CCDC 2013567'
loop_
_audit_author_name
_audit_author_address
'Nai-Yuan Jheng'
;National Institute of Advanced Industrial Science and Technology
Japan
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H29 Co N2 P2'
_chemical_formula_weight         634.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   9.6072(16)
_cell_length_b                   17.588(3)
_cell_length_c                   17.717(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.736(3)
_cell_angle_gamma                90
_cell_volume                     2931.1(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    8851
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_F_000             1312
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.727
_shelx_estimated_absorpt_T_min   0.822
_shelx_estimated_absorpt_T_max   0.924
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.889
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31884
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.079
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             5122
_reflns_number_gt                4631
_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       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for windows'
_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)+(0.0338P)²+2.2260P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5122
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0731
_refine_ls_wR_factor_gt          0.0709
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_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 0.50193(2) 0.51717(2) 0.68419(2) 0.01522(8) Uani 1 1 d . . . . .
P1 P 0.33010(5) 0.52286(3) 0.74825(3) 0.01752(11) Uani 1 1 d . . . . .
P2 P 0.68286(5) 0.46335(3) 0.75469(3) 0.01559(11) Uani 1 1 d . . . . .
N1 N 0.37303(15) 0.57444(8) 0.60993(8) 0.0164(3) Uani 1 1 d . . . . .
N2 N 0.62513(15) 0.53262(8) 0.61395(8) 0.0152(3) Uani 1 1 d . . . . .
C1 C 0.19203(19) 0.56896(10) 0.68095(10) 0.0194(4) Uani 1 1 d . . . . .
H1 H 0.0982 0.5758 0.6893 0.023 Uiso 1 1 calc R U . . .
C2 C 0.23591(18) 0.59349(10) 0.61576(10) 0.0176(4) Uani 1 1 d . . . . .
C3 C 0.1539(2) 0.63765(10) 0.55297(11) 0.0206(4) Uani 1 1 d . . . . .
H3 H 0.0590 0.6514 0.5550 0.025 Uiso 1 1 calc R U . . .
C4 C 0.2081(2) 0.66006(10) 0.49147(11) 0.0224(4) Uani 1 1 d . . . . .
H4 H 0.1507 0.6886 0.4513 0.027 Uiso 1 1 calc R U . . .
C5 C 0.3515(2) 0.64090(10) 0.48659(10) 0.0203(4) Uani 1 1 d . . . . .
C6 C 0.4242(2) 0.66070(10) 0.42706(11) 0.0236(4) Uani 1 1 d . . . . .
H6 H 0.3761 0.6903 0.3849 0.028 Uiso 1 1 calc R U . . .
C7 C 0.81349(19) 0.45918(10) 0.68989(10) 0.0186(4) Uani 1 1 d . . . . .
H7 H 0.9071 0.4782 0.7173 0.022 Uiso 1 1 calc R U . . .
H7A H 0.8252 0.4060 0.6740 0.022 Uiso 1 1 calc R U . . .
C8 C 0.75918(19) 0.50726(10) 0.62063(10) 0.0166(4) Uani 1 1 d . . . . .
C9 C 0.83821(19) 0.52542(10) 0.56405(10) 0.0190(4) Uani 1 1 d . . . . .
H9 H 0.9334 0.5080 0.5700 0.023 Uiso 1 1 calc R U . . .
C10 C 0.7795(2) 0.56790(10) 0.50044(10) 0.0211(4) Uani 1 1 d . . . . .
H10 H 0.8339 0.5795 0.4627 0.025 Uiso 1 1 calc R U . . .
C11 C 0.6379(2) 0.59441(10) 0.49110(10) 0.0193(4) Uani 1 1 d . . . . .
C12 C 0.5615(2) 0.63846(11) 0.42849(11) 0.0238(4) Uani 1 1 d . . . . .
H12 H 0.6063 0.6525 0.3874 0.029 Uiso 1 1 calc R U . . .
C13 C 0.42490(19) 0.59769(9) 0.54823(10) 0.0161(4) Uani 1 1 d . . . . .
C14 C 0.56678(19) 0.57456(9) 0.54997(10) 0.0163(4) Uani 1 1 d . . . . .
C15 C 0.3552(2) 0.57981(11) 0.83676(10) 0.0213(4) Uani 1 1 d . . . . .
C16 C 0.2469(2) 0.59213(13) 0.87673(12) 0.0320(5) Uani 1 1 d . . . . .
H16 H 0.1570 0.5686 0.8596 0.038 Uiso 1 1 calc R U . . .
C17 C 0.2690(3) 0.63854(13) 0.94155(13) 0.0372(5) Uani 1 1 d . . . . .
H17 H 0.1935 0.6472 0.9678 0.045 Uiso 1 1 calc R U . . .
C18 C 0.3989(2) 0.67201(13) 0.96814(13) 0.0367(5) Uani 1 1 d . . . . .
H18 H 0.4142 0.7024 1.0134 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5067(2) 0.66112(12) 0.92878(13) 0.0355(5) Uani 1 1 d . . . . .
H19 H 0.5966 0.6844 0.9467 0.043 Uiso 1 1 calc R U . . .
C20 C 0.4850(2) 0.61620(11) 0.86285(12) 0.0280(4) Uani 1 1 d . . . . .
H20 H 0.5594 0.6102 0.8353 0.034 Uiso 1 1 calc R U . . .
C21 C 0.25560(19) 0.43344(10) 0.77539(10) 0.0191(4) Uani 1 1 d . . . . .
C22 C 0.2922(2) 0.40302(11) 0.84973(11) 0.0260(4) Uani 1 1 d . . . . .
H22 H 0.3465 0.4324 0.8903 0.031 Uiso 1 1 calc R U . . .
C23 C 0.2496(2) 0.33008(12) 0.86449(12) 0.0304(5) Uani 1 1 d . . . . .
H23 H 0.2735 0.3103 0.9154 0.037 Uiso 1 1 calc R U . . .
C24 C 0.1730(2) 0.28601(12) 0.80617(13) 0.0322(5) Uani 1 1 d . . . . .
H24 H 0.1458 0.2358 0.8166 0.039 Uiso 1 1 calc R U . . .
C25 C 0.1356(2) 0.31560(12) 0.73192(13) 0.0312(5) Uani 1 1 d . . . . .
H25 H 0.0828 0.2856 0.6915 0.037 Uiso 1 1 calc R U . . .
C26 C 0.1757(2) 0.38892(11) 0.71707(11) 0.0236(4) Uani 1 1 d . . . . .
H26 H 0.1483 0.4092 0.6665 0.028 Uiso 1 1 calc R U . . .
C27 C 0.69050(19) 0.36708(10) 0.79410(10) 0.0179(4) Uani 1 1 d . . . . .
C28 C 0.56729(19) 0.32379(10) 0.78287(10) 0.0189(4) Uani 1 1 d . . . . .
H28 H 0.4802 0.3449 0.7559 0.023 Uiso 1 1 calc R U . . .
C29 C 0.5704(2) 0.24979(11) 0.81074(11) 0.0231(4) Uani 1 1 d . . . . .
H29 H 0.4857 0.2204 0.8029 0.028 Uiso 1 1 calc R U . . .
C30 C 0.6972(2) 0.21900(11) 0.84997(11) 0.0253(4) Uani 1 1 d . . . . .
H30 H 0.6992 0.1686 0.8694 0.030 Uiso 1 1 calc R U . . .
C31 C 0.8216(2) 0.26156(11) 0.86099(12) 0.0287(5) Uani 1 1 d . . . . .
H31 H 0.9086 0.2401 0.8876 0.034 Uiso 1 1 calc R U . . .
C32 C 0.8186(2) 0.33517(11) 0.83316(11) 0.0259(4) Uani 1 1 d . . . . .
H32 H 0.9037 0.3642 0.8406 0.031 Uiso 1 1 calc R U . . .
C33 C 0.77820(19) 0.51967(10) 0.83584(11) 0.0202(4) Uani 1 1 d . . . . .
C34 C 0.7787(2) 0.50172(12) 0.91224(11) 0.0270(4) Uani 1 1 d . . . . .
H34 H 0.7377 0.4553 0.9244 0.032 Uiso 1 1 calc R U . . .
C35 C 0.8392(2) 0.55148(14) 0.97113(12) 0.0353(5) Uani 1 1 d . . . . .
H35 H 0.8401 0.5384 1.0233 0.042 Uiso 1 1 calc R U . . .
C36 C 0.8973(2) 0.61881(14) 0.95451(14) 0.0393(6) Uani 1 1 d . . . . .
H36 H 0.9362 0.6530 0.9948 0.047 Uiso 1 1 calc R U . . .
C37 C 0.8992(2) 0.63708(13) 0.87870(13) 0.0353(5) Uani 1 1 d . . . . .
H37 H 0.9411 0.6834 0.8671 0.042 Uiso 1 1 calc R U . . .
C38 C 0.8402(2) 0.58789(11) 0.81975(12) 0.0270(4) Uani 1 1 d . . . . .
H38 H 0.8421 0.6007 0.7679 0.032 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 N1 1.9016(14) . ?
Co1 N2 1.9033(15) . ?
Co1 P2 2.1433(5) . ?
Co1 P1 2.1876(6) . ?
P1 C1 1.7875(18) . ?
P1 C21 1.8322(19) . ?
P1 C15 1.8348(19) . ?
P2 C27 1.8273(18) . ?
P2 C33 1.8308(19) . ?
P2 C7 1.8667(18) . ?
N1 C13 1.354(2) . ?
N1 C2 1.383(2) . ?
N2 C8 1.345(2) . ?
N2 C14 1.373(2) . ?
C1 C2 1.377(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.451(2) . ?
C3 C4 1.358(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.438(3) . ?
C4 H4 0.9500 . ?
C5 C13 1.398(2) . ?
C5 C6 1.422(3) . ?
C6 C12 1.371(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.494(3) . ?
C7 H7 0.9900 . ?
C7 H7A 0.9900 . ?
C8 C9 1.412(3) . ?
C9 C10 1.374(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.416(3) . ?
C10 H10 0.9500 . ?
C11 C14 1.403(3) . ?
C11 C12 1.428(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.417(3) . ?
C15 C16 1.390(3) . ?
C15 C20 1.394(3) . ?
C16 C17 1.390(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.374(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.374(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.390(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.396(3) . ?
C21 C22 1.399(3) . ?
C22 C23 1.388(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.387(3) . ?
C27 C32 1.400(3) . ?
C28 C29 1.390(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.384(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(3) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.389(3) . ?
C33 C38 1.395(3) . ?
C34 C35 1.395(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.366(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.385(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.386(3) . ?
C37 H37 0.9500 . ?
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
N1 Co1 N2 82.88(6) . . ?
N1 Co1 P2 166.87(5) . . ?
N2 Co1 P2 84.58(5) . . ?
N1 Co1 P1 83.15(5) . . ?
N2 Co1 P1 165.46(5) . . ?
P2 Co1 P1 109.03(2) . . ?
C1 P1 C21 106.73(9) . . ?
C1 P1 C15 105.86(8) . . ?
C21 P1 C15 103.59(9) . . ?
C1 P1 Co1 102.16(6) . . ?
C21 P1 Co1 118.24(6) . . ?
C15 P1 Co1 119.10(6) . . ?
C27 P2 C33 103.08(8) . . ?
C27 P2 C7 102.64(8) . . ?
C33 P2 C7 102.28(9) . . ?
C27 P2 Co1 126.63(6) . . ?
C33 P2 Co1 115.82(6) . . ?
C7 P2 Co1 103.06(6) . . ?
C13 N1 C2 119.98(15) . . ?
C13 N1 Co1 115.08(12) . . ?
C2 N1 Co1 124.94(12) . . ?
C8 N2 C14 118.26(15) . . ?
C8 N2 Co1 127.36(12) . . ?
C14 N2 Co1 114.38(12) . . ?
C2 C1 P1 112.92(13) . . ?
C2 C1 H1 123.5 . . ?
P1 C1 H1 123.5 . . ?
C1 C2 N1 116.45(15) . . ?
C1 C2 C3 126.84(17) . . ?
N1 C2 C3 116.71(16) . . ?
C4 C3 C2 122.23(17) . . ?
C4 C3 H3 118.9 . . ?
C2 C3 H3 118.9 . . ?
C3 C4 C5 120.57(16) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C13 C5 C6 117.82(17) . . ?
C13 C5 C4 114.69(17) . . ?
C6 C5 C4 127.48(17) . . ?
C12 C6 C5 122.17(17) . . ?
C12 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C8 C7 P2 108.46(12) . . ?
C8 C7 H7 110.0 . . ?
P2 C7 H7 110.0 . . ?
C8 C7 H7A 110.0 . . ?
P2 C7 H7A 110.0 . . ?
H7 C7 H7A 108.4 . . ?
N2 C8 C9 120.41(16) . . ?
N2 C8 C7 115.34(15) . . ?
C9 C8 C7 124.25(16) . . ?
C10 C9 C8 121.01(17) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 119.95(17) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C14 C11 C10 115.67(16) . . ?
C14 C11 C12 117.50(17) . . ?
C10 C11 C12 126.83(17) . . ?
C6 C12 C11 120.64(17) . . ?
C6 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
N1 C13 C5 125.81(17) . . ?
N1 C13 C14 113.97(15) . . ?
C5 C13 C14 120.22(17) . . ?
N2 C14 C11 124.67(17) . . ?
N2 C14 C13 113.69(15) . . ?
C11 C14 C13 121.64(16) . . ?
C16 C15 C20 118.13(18) . . ?
C16 C15 P1 122.58(15) . . ?
C20 C15 P1 119.17(15) . . ?
C17 C16 C15 120.5(2) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 120.7(2) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 119.5(2) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C18 C19 C20 120.4(2) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C19 C20 C15 120.7(2) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C26 C21 C22 118.54(17) . . ?
C26 C21 P1 118.22(14) . . ?
C22 C21 P1 122.59(15) . . ?
C23 C22 C21 120.25(19) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.8(2) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 119.58(19) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C26 C25 C24 119.9(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 120.89(19) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
C28 C27 C32 119.28(17) . . ?
C28 C27 P2 119.14(13) . . ?
C32 C27 P2 121.55(14) . . ?
C27 C28 C29 120.44(17) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 119.88(18) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 H29 120.1 . . ?
C29 C30 C31 120.22(18) . . ?
C29 C30 H30 119.9 . . ?
C31 C30 H30 119.9 . . ?
C32 C31 C30 119.93(18) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C27 120.24(18) . . ?
C31 C32 H32 119.9 . . ?
C27 C32 H32 119.9 . . ?
C34 C33 C38 118.54(18) . . ?
C34 C33 P2 122.99(15) . . ?
C38 C33 P2 118.11(15) . . ?
C33 C34 C35 120.3(2) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C36 C35 C34 120.6(2) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C37 119.8(2) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C36 C37 C38 120.1(2) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C33 120.6(2) . . ?
C37 C38 H38 119.7 . . ?
C33 C38 H38 119.7 . . ?

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
C21 P1 C1 C2 -131.07(14) . . . . ?
C15 P1 C1 C2 119.03(14) . . . . ?
Co1 P1 C1 C2 -6.31(14) . . . . ?
P1 C1 C2 N1 4.4(2) . . . . ?
P1 C1 C2 C3 -175.07(14) . . . . ?
C13 N1 C2 C1 -178.77(15) . . . . ?
Co1 N1 C2 C1 0.4(2) . . . . ?
C13 N1 C2 C3 0.8(2) . . . . ?
Co1 N1 C2 C3 179.97(12) . . . . ?
C1 C2 C3 C4 178.98(18) . . . . ?
N1 C2 C3 C4 -0.5(3) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C3 C4 C5 C13 1.0(2) . . . . ?
C3 C4 C5 C6 -179.12(18) . . . . ?
C13 C5 C6 C12 0.4(3) . . . . ?
C4 C5 C6 C12 -179.46(18) . . . . ?
C27 P2 C7 C8 144.04(12) . . . . ?
C33 P2 C7 C8 -109.32(13) . . . . ?
Co1 P2 C7 C8 11.22(13) . . . . ?
C14 N2 C8 C9 1.7(2) . . . . ?
Co1 N2 C8 C9 -178.34(12) . . . . ?
C14 N2 C8 C7 -177.41(14) . . . . ?
Co1 N2 C8 C7 2.5(2) . . . . ?
P2 C7 C8 N2 -9.35(19) . . . . ?
P2 C7 C8 C9 171.56(14) . . . . ?
N2 C8 C9 C10 -1.3(3) . . . . ?
C7 C8 C9 C10 177.77(16) . . . . ?
C8 C9 C10 C11 0.3(3) . . . . ?
C9 C10 C11 C14 0.2(2) . . . . ?
C9 C10 C11 C12 -179.55(17) . . . . ?
C5 C6 C12 C11 -0.5(3) . . . . ?
C14 C11 C12 C6 0.6(3) . . . . ?
C10 C11 C12 C6 -179.66(18) . . . . ?
C2 N1 C13 C5 -0.1(3) . . . . ?
Co1 N1 C13 C5 -179.39(14) . . . . ?
C2 N1 C13 C14 179.63(14) . . . . ?
Co1 N1 C13 C14 0.35(18) . . . . ?
C6 C5 C13 N1 179.33(16) . . . . ?
C4 C5 C13 N1 -0.8(3) . . . . ?
C6 C5 C13 C14 -0.4(2) . . . . ?
C4 C5 C13 C14 179.48(15) . . . . ?
C8 N2 C14 C11 -1.3(2) . . . . ?
Co1 N2 C14 C11 178.79(13) . . . . ?
C8 N2 C14 C13 179.34(15) . . . . ?
Co1 N2 C14 C13 -0.61(18) . . . . ?
C10 C11 C14 N2 0.3(2) . . . . ?
C12 C11 C14 N2 -179.93(16) . . . . ?
C10 C11 C14 C13 179.62(15) . . . . ?
C12 C11 C14 C13 -0.6(2) . . . . ?
N1 C13 C14 N2 0.2(2) . . . . ?
C5 C13 C14 N2 179.93(15) . . . . ?
N1 C13 C14 C11 -179.25(15) . . . . ?
C5 C13 C14 C11 0.5(3) . . . . ?
C1 P1 C15 C16 59.69(19) . . . . ?
C21 P1 C15 C16 -52.43(18) . . . . ?
Co1 P1 C15 C16 173.81(15) . . . . ?
C1 P1 C15 C20 -116.29(16) . . . . ?
C21 P1 C15 C20 131.58(16) . . . . ?
Co1 P1 C15 C20 -2.17(18) . . . . ?
C20 C15 C16 C17 -1.0(3) . . . . ?
P1 C15 C16 C17 -177.03(17) . . . . ?
C15 C16 C17 C18 -1.2(3) . . . . ?
C16 C17 C18 C19 1.9(4) . . . . ?
C17 C18 C19 C20 -0.4(3) . . . . ?
C18 C19 C20 C15 -1.8(3) . . . . ?
C16 C15 C20 C19 2.5(3) . . . . ?
P1 C15 C20 C19 178.63(16) . . . . ?
C1 P1 C21 C26 44.92(16) . . . . ?
C15 P1 C21 C26 156.40(14) . . . . ?
Co1 P1 C21 C26 -69.35(15) . . . . ?
C1 P1 C21 C22 -144.50(15) . . . . ?
C15 P1 C21 C22 -33.02(17) . . . . ?
Co1 P1 C21 C22 101.23(15) . . . . ?
C26 C21 C22 C23 0.1(3) . . . . ?
P1 C21 C22 C23 -170.46(15) . . . . ?
C21 C22 C23 C24 1.2(3) . . . . ?
C22 C23 C24 C25 -1.2(3) . . . . ?
C23 C24 C25 C26 0.1(3) . . . . ?
C24 C25 C26 C21 1.2(3) . . . . ?
C22 C21 C26 C25 -1.3(3) . . . . ?
P1 C21 C26 C25 169.68(15) . . . . ?
C33 P2 C27 C28 132.55(15) . . . . ?
C7 P2 C27 C28 -121.43(15) . . . . ?
Co1 P2 C27 C28 -4.34(18) . . . . ?
C33 P2 C27 C32 -49.54(17) . . . . ?
C7 P2 C27 C32 56.48(17) . . . . ?
Co1 P2 C27 C32 173.56(13) . . . . ?
C32 C27 C28 C29 0.7(3) . . . . ?
P2 C27 C28 C29 178.61(14) . . . . ?
C27 C28 C29 C30 0.0(3) . . . . ?
C28 C29 C30 C31 -0.6(3) . . . . ?
C29 C30 C31 C32 0.5(3) . . . . ?
C30 C31 C32 C27 0.2(3) . . . . ?
C28 C27 C32 C31 -0.8(3) . . . . ?
P2 C27 C32 C31 -178.66(16) . . . . ?
C27 P2 C33 C34 -31.29(18) . . . . ?
C7 P2 C33 C34 -137.58(16) . . . . ?
Co1 P2 C33 C34 111.18(15) . . . . ?
C27 P2 C33 C38 155.69(15) . . . . ?
C7 P2 C33 C38 49.40(16) . . . . ?
Co1 P2 C33 C38 -61.84(16) . . . . ?
C38 C33 C34 C35 0.5(3) . . . . ?
P2 C33 C34 C35 -172.50(15) . . . . ?
C33 C34 C35 C36 0.7(3) . . . . ?
C34 C35 C36 C37 -1.6(3) . . . . ?
C35 C36 C37 C38 1.1(3) . . . . ?
C36 C37 C38 C33 0.1(3) . . . . ?
C34 C33 C38 C37 -0.9(3) . . . . ?
P2 C33 C38 C37 172.43(16) . . . . ?

_refine_diff_density_max         0.321
_refine_diff_density_min         -0.236
_refine_diff_density_rms         0.048

####################################################################### 
# 
# 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_complex6
_audit_block_doi                 10.5517/ccdc.csd.cc25l8vx
_database_code_depnum_ccdc_archive 'CCDC 2013569'
loop_
_audit_author_name
_audit_author_address
'Nai-Yuan Jheng'
;National Institute of Advanced Industrial Science and Technology
Japan
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H31 Co N2 P2'
_chemical_formula_weight         636.52

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'

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

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

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

_cell_length_a                   9.1277(13)
_cell_length_b                   12.3182(18)
_cell_length_c                   26.862(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3020.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    5707
_cell_measurement_theta_min      3.2
_cell_measurement_theta_max      27.4

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_F_000             1320
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.620
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    0.705
_shelx_estimated_absorpt_T_min   0.669
_shelx_estimated_absorpt_T_max   0.986
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.954
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_process_details   'Rigaku ABSCOR'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38918
_diffrn_reflns_av_unetI/netI     0.0984
_diffrn_reflns_av_R_equivalents  0.1764
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         3.033
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6881
_reflns_number_gt                5432
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.772
_reflns_Friedel_fraction_max     0.994
_reflns_Friedel_fraction_full    0.999

_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       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for windows'
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1913 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(11)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         6881
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1373
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   0.843
_refine_ls_restrained_S_all      0.843
_refine_ls_shift/su_max          0.001
_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 0.22903(7) 0.38196(5) 0.62664(2) 0.01954(19) Uani 1 1 d . . . . .
P1 P 0.24398(15) 0.54980(10) 0.60407(5) 0.0213(3) Uani 1 1 d . . . . .
P2 P 0.35897(14) 0.36306(10) 0.69149(5) 0.0178(3) Uani 1 1 d . . . . .
C1 C 0.1349(7) 0.5524(5) 0.5479(2) 0.0348(14) Uani 1 1 d . . . . .
H28 H 0.1181 0.6157 0.5285 0.042 Uiso 1 1 calc R U . . .
C2 C 0.0789(6) 0.4506(5) 0.5365(2) 0.0289(13) Uani 1 1 d . . . . .
C3 C 0.0015(8) 0.4209(6) 0.4897(2) 0.0415(16) Uani 1 1 d . . . . .
H22 H -0.0633 0.4822 0.4806 0.050 Uiso 1 1 calc R U . . .
H23 H 0.0760 0.4143 0.4631 0.050 Uiso 1 1 calc R U . . .
C4 C -0.0863(8) 0.3226(6) 0.4893(2) 0.0434(17) Uani 1 1 d . . . . .
H24 H -0.0942 0.2965 0.4545 0.052 Uiso 1 1 calc R U . . .
H25 H -0.1864 0.3408 0.5008 0.052 Uiso 1 1 calc R U . . .
C5 C -0.0284(6) 0.2327(5) 0.5206(2) 0.0316(13) Uani 1 1 d . . . . .
C6 C -0.0635(6) 0.1220(6) 0.5165(2) 0.0386(15) Uani 1 1 d . . . . .
H3 H -0.1287 0.0997 0.4908 0.046 Uiso 1 1 calc R U . . .
C7 C 0.3425(6) 0.2157(4) 0.7058(2) 0.0251(11) Uani 1 1 d . . . . .
H26 H 0.4411 0.1825 0.7079 0.030 Uiso 1 1 calc R U . . .
H27 H 0.2927 0.2056 0.7382 0.030 Uiso 1 1 calc R U . . .
C8 C 0.2572(6) 0.1630(4) 0.66606(19) 0.0244(11) Uani 1 1 d . . . . .
C9 C 0.2296(7) 0.0497(4) 0.6634(2) 0.0301(12) Uani 1 1 d . . . . .
H4 H 0.2663 0.0033 0.6887 0.036 Uiso 1 1 calc R U . . .
C10 C 0.1496(7) 0.0057(5) 0.6242(2) 0.0357(14) Uani 1 1 d . . . . .
H5 H 0.1376 -0.0706 0.6216 0.043 Uiso 1 1 calc R U . . .
C11 C 0.0860(6) 0.0756(5) 0.5883(2) 0.0292(13) Uani 1 1 d . . . . .
C12 C -0.0073(7) 0.0446(5) 0.5480(2) 0.0372(15) Uani 1 1 d . . . . .
H6 H -0.0307 -0.0297 0.5430 0.045 Uiso 1 1 calc R U . . .
C13 C 0.0648(6) 0.2646(5) 0.5594(2) 0.0259(12) Uani 1 1 d . . . . .
C14 C 0.1165(6) 0.1866(5) 0.59346(19) 0.0241(12) Uani 1 1 d . . . . .
N1 N 0.1119(5) 0.3684(4) 0.56859(15) 0.0229(9) Uani 1 1 d . . . . .
N2 N 0.2018(4) 0.2306(3) 0.63087(16) 0.0211(9) Uani 1 1 d . . . . .
C15 C 0.4205(6) 0.6089(5) 0.58500(18) 0.0237(11) Uani 1 1 d . . . . .
C16 C 0.4357(7) 0.7185(5) 0.5741(2) 0.0344(14) Uani 1 1 d . . . . .
H29 H 0.3543 0.7658 0.5780 0.041 Uiso 1 1 calc R U . . .
C17 C 0.5691(8) 0.7597(6) 0.5576(2) 0.0437(17) Uani 1 1 d . . . . .
H30 H 0.5787 0.8351 0.5509 0.052 Uiso 1 1 calc R U . . .
C18 C 0.6871(7) 0.6917(6) 0.5509(2) 0.0408(16) Uani 1 1 d . . . . .
H31 H 0.7773 0.7198 0.5388 0.049 Uiso 1 1 calc R U . . .
C19 C 0.6744(7) 0.5832(6) 0.5617(2) 0.0357(15) Uani 1 1 d . . . . .
H32 H 0.7560 0.5363 0.5574 0.043 Uiso 1 1 calc R U . . .
C20 C 0.1692(6) 0.6560(4) 0.64419(19) 0.0196(11) Uani 1 1 d . . . . .
C21 C 0.0218(6) 0.6850(4) 0.6417(2) 0.0245(12) Uani 1 1 d . . . . .
H7 H -0.0382 0.6567 0.6159 0.029 Uiso 1 1 calc R U . . .
C22 C -0.0376(6) 0.7550(4) 0.6767(2) 0.0287(13) Uani 1 1 d . . . . .
H8 H -0.1379 0.7750 0.6745 0.034 Uiso 1 1 calc R U . . .
C23 C 0.0477(6) 0.7958(4) 0.7148(2) 0.0270(12) Uani 1 1 d . . . . .
H9 H 0.0055 0.8419 0.7393 0.032 Uiso 1 1 calc R U . . .
C24 C 0.1948(6) 0.7695(4) 0.71730(19) 0.0231(11) Uani 1 1 d . . . . .
H10 H 0.2542 0.7981 0.7432 0.028 Uiso 1 1 calc R U . . .
C25 C 0.2554(6) 0.7010(4) 0.68183(19) 0.0239(11) Uani 1 1 d . . . . .
H11 H 0.3570 0.6845 0.6832 0.029 Uiso 1 1 calc R U . . .
C26 C 0.5567(5) 0.3836(4) 0.68373(17) 0.0186(10) Uani 1 1 d . . . . .
C27 C 0.6263(6) 0.4756(4) 0.70173(19) 0.0217(11) Uani 1 1 d . . . . .
H12 H 0.5729 0.5271 0.7208 0.026 Uiso 1 1 calc R U . . .
C28 C 0.7752(6) 0.4929(4) 0.69183(19) 0.0266(11) Uani 1 1 d . . . . .
H13 H 0.8231 0.5554 0.7046 0.032 Uiso 1 1 calc R U . . .
C29 C 0.8517(6) 0.4194(5) 0.6636(2) 0.0314(13) Uani 1 1 d . . . . .
H14 H 0.9526 0.4314 0.6569 0.038 Uiso 1 1 calc R U . . .
C30 C 0.7838(6) 0.3287(5) 0.6449(2) 0.0296(12) Uani 1 1 d . . . . .
H15 H 0.8376 0.2786 0.6252 0.036 Uiso 1 1 calc R U . . .
C31 C 0.6365(6) 0.3101(5) 0.65470(19) 0.0250(11) Uani 1 1 d . . . . .
H16 H 0.5898 0.2473 0.6417 0.030 Uiso 1 1 calc R U . . .
C32 C 0.3260(6) 0.4262(4) 0.75240(19) 0.0216(11) Uani 1 1 d . . . . .
C33 C 0.2104(6) 0.4985(4) 0.7580(2) 0.0249(11) Uani 1 1 d . . . . .
H17 H 0.1500 0.5150 0.7302 0.030 Uiso 1 1 calc R U . . .
C34 C 0.1819(6) 0.5467(4) 0.8033(2) 0.0300(13) Uani 1 1 d . . . . .
H18 H 0.1024 0.5959 0.8066 0.036 Uiso 1 1 calc R U . . .
C35 C 0.2701(7) 0.5231(5) 0.8441(2) 0.0325(13) Uani 1 1 d . . . . .
H19 H 0.2511 0.5562 0.8754 0.039 Uiso 1 1 calc R U . . .
C36 C 0.3854(7) 0.4513(5) 0.8390(2) 0.0331(14) Uani 1 1 d . . . . .
H20 H 0.4463 0.4356 0.8667 0.040 Uiso 1 1 calc R U . . .
C37 C 0.4123(6) 0.4023(5) 0.79356(19) 0.0255(12) Uani 1 1 d . . . . .
H21 H 0.4905 0.3519 0.7905 0.031 Uiso 1 1 calc R U . . .
C38 C 0.5409(6) 0.5415(5) 0.57913(19) 0.0264(12) Uani 1 1 d . . . . .
H33 H 0.5330 0.4666 0.5870 0.032 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 N2 1.884(4) . ?
Co1 N1 1.898(4) . ?
Co1 P2 2.1202(14) . ?
Co1 P1 2.1588(14) . ?
P1 C1 1.809(6) . ?
P1 C20 1.828(5) . ?
P1 C15 1.841(5) . ?
P2 C26 1.834(5) . ?
P2 C32 1.836(5) . ?
P2 C7 1.862(5) . ?
C1 C2 1.388(8) . ?
C2 N1 1.364(7) . ?
C2 C3 1.487(8) . ?
C3 C4 1.453(10) . ?
C4 C5 1.488(9) . ?
C5 C13 1.402(8) . ?
C5 C6 1.406(9) . ?
C6 C12 1.374(10) . ?
C7 C8 1.472(8) . ?
C8 N2 1.358(7) . ?
C8 C9 1.420(7) . ?
C9 C10 1.390(8) . ?
C10 C11 1.419(9) . ?
C11 C14 1.402(8) . ?
C11 C12 1.429(8) . ?
C13 N1 1.371(7) . ?
C13 C14 1.407(8) . ?
C14 N2 1.383(7) . ?
C15 C38 1.387(7) . ?
C15 C16 1.388(8) . ?
C16 C17 1.393(9) . ?
C17 C18 1.377(9) . ?
C18 C19 1.373(9) . ?
C19 C38 1.402(8) . ?
C20 C21 1.393(7) . ?
C20 C25 1.396(7) . ?
C21 C22 1.387(8) . ?
C22 C23 1.380(8) . ?
C23 C24 1.383(8) . ?
C24 C25 1.387(7) . ?
C26 C27 1.386(7) . ?
C26 C31 1.399(7) . ?
C27 C28 1.401(8) . ?
C28 C29 1.373(8) . ?
C29 C30 1.373(8) . ?
C30 C31 1.389(8) . ?
C32 C37 1.389(7) . ?
C32 C33 1.389(7) . ?
C33 C34 1.378(8) . ?
C34 C35 1.391(8) . ?
C35 C36 1.381(9) . ?
C36 C37 1.383(8) . ?

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
N2 Co1 N1 83.59(19) . . ?
N2 Co1 P2 85.15(13) . . ?
N1 Co1 P2 168.64(15) . . ?
N2 Co1 P1 166.62(14) . . ?
N1 Co1 P1 83.64(15) . . ?
P2 Co1 P1 107.49(6) . . ?
C1 P1 C20 105.9(3) . . ?
C1 P1 C15 104.0(3) . . ?
C20 P1 C15 102.0(2) . . ?
C1 P1 Co1 102.5(2) . . ?
C20 P1 Co1 119.76(18) . . ?
C15 P1 Co1 120.82(18) . . ?
C26 P2 C32 101.8(2) . . ?
C26 P2 C7 103.7(2) . . ?
C32 P2 C7 102.5(2) . . ?
C26 P2 Co1 116.23(16) . . ?
C32 P2 Co1 126.44(18) . . ?
C7 P2 Co1 103.37(18) . . ?
C2 C1 P1 111.8(4) . . ?
N1 C2 C1 116.7(5) . . ?
N1 C2 C3 117.2(5) . . ?
C1 C2 C3 125.7(6) . . ?
C4 C3 C2 118.3(6) . . ?
C3 C4 C5 114.8(5) . . ?
C13 C5 C6 118.0(6) . . ?
C13 C5 C4 115.4(6) . . ?
C6 C5 C4 126.6(6) . . ?
C12 C6 C5 122.6(5) . . ?
C8 C7 P2 108.9(4) . . ?
N2 C8 C9 120.1(5) . . ?
N2 C8 C7 115.5(4) . . ?
C9 C8 C7 124.3(5) . . ?
C10 C9 C8 121.0(5) . . ?
C9 C10 C11 119.6(5) . . ?
C14 C11 C10 116.3(5) . . ?
C14 C11 C12 117.0(6) . . ?
C10 C11 C12 126.7(6) . . ?
C6 C12 C11 120.3(6) . . ?
N1 C13 C5 125.7(5) . . ?
N1 C13 C14 114.6(5) . . ?
C5 C13 C14 119.7(5) . . ?
N2 C14 C11 124.5(5) . . ?
N2 C14 C13 113.1(5) . . ?
C11 C14 C13 122.3(5) . . ?
C2 N1 C13 120.7(5) . . ?
C2 N1 Co1 125.3(4) . . ?
C13 N1 Co1 113.9(4) . . ?
C8 N2 C14 118.4(5) . . ?
C8 N2 Co1 126.9(4) . . ?
C14 N2 Co1 114.7(4) . . ?
C38 C15 C16 118.6(5) . . ?
C38 C15 P1 119.3(4) . . ?
C16 C15 P1 122.1(4) . . ?
C15 C16 C17 120.6(6) . . ?
C18 C17 C16 120.3(6) . . ?
C19 C18 C17 119.9(6) . . ?
C18 C19 C38 120.1(6) . . ?
C21 C20 C25 118.5(5) . . ?
C21 C20 P1 121.1(4) . . ?
C25 C20 P1 120.0(4) . . ?
C22 C21 C20 120.3(5) . . ?
C23 C22 C21 120.6(5) . . ?
C22 C23 C24 119.9(5) . . ?
C23 C24 C25 119.8(5) . . ?
C24 C25 C20 120.9(5) . . ?
C27 C26 C31 119.0(5) . . ?
C27 C26 P2 121.6(4) . . ?
C31 C26 P2 119.1(4) . . ?
C26 C27 C28 120.2(5) . . ?
C29 C28 C27 119.9(5) . . ?
C30 C29 C28 120.6(5) . . ?
C29 C30 C31 120.1(5) . . ?
C30 C31 C26 120.2(5) . . ?
C37 C32 C33 118.7(5) . . ?
C37 C32 P2 121.8(4) . . ?
C33 C32 P2 119.5(4) . . ?
C34 C33 C32 121.1(5) . . ?
C33 C34 C35 119.8(5) . . ?
C36 C35 C34 119.7(5) . . ?
C35 C36 C37 120.3(5) . . ?
C36 C37 C32 120.6(5) . . ?
C15 C38 C19 120.5(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
C20 P1 C1 C2 -127.0(4) . . . . ?
C15 P1 C1 C2 125.9(5) . . . . ?
Co1 P1 C1 C2 -0.7(5) . . . . ?
P1 C1 C2 N1 0.9(7) . . . . ?
P1 C1 C2 C3 -171.5(5) . . . . ?
N1 C2 C3 C4 25.2(9) . . . . ?
C1 C2 C3 C4 -162.4(6) . . . . ?
C2 C3 C4 C5 -34.0(9) . . . . ?
C3 C4 C5 C13 23.1(8) . . . . ?
C3 C4 C5 C6 -160.1(6) . . . . ?
C13 C5 C6 C12 -1.6(9) . . . . ?
C4 C5 C6 C12 -178.3(6) . . . . ?
C26 P2 C7 C8 -117.3(4) . . . . ?
C32 P2 C7 C8 137.1(4) . . . . ?
Co1 P2 C7 C8 4.4(4) . . . . ?
P2 C7 C8 N2 -4.4(6) . . . . ?
P2 C7 C8 C9 176.5(5) . . . . ?
N2 C8 C9 C10 1.9(9) . . . . ?
C7 C8 C9 C10 -179.1(5) . . . . ?
C8 C9 C10 C11 -4.4(9) . . . . ?
C9 C10 C11 C14 3.6(9) . . . . ?
C9 C10 C11 C12 -175.3(6) . . . . ?
C5 C6 C12 C11 2.6(9) . . . . ?
C14 C11 C12 C6 -0.2(9) . . . . ?
C10 C11 C12 C6 178.7(6) . . . . ?
C6 C5 C13 N1 179.0(5) . . . . ?
C4 C5 C13 N1 -3.9(8) . . . . ?
C6 C5 C13 C14 -1.8(8) . . . . ?
C4 C5 C13 C14 175.3(5) . . . . ?
C10 C11 C14 N2 -0.5(8) . . . . ?
C12 C11 C14 N2 178.5(5) . . . . ?
C10 C11 C14 C13 177.7(5) . . . . ?
C12 C11 C14 C13 -3.2(8) . . . . ?
N1 C13 C14 N2 2.0(7) . . . . ?
C5 C13 C14 N2 -177.3(5) . . . . ?
N1 C13 C14 C11 -176.5(5) . . . . ?
C5 C13 C14 C11 4.3(8) . . . . ?
C1 C2 N1 C13 -178.0(5) . . . . ?
C3 C2 N1 C13 -5.0(8) . . . . ?
C1 C2 N1 Co1 -0.7(7) . . . . ?
C3 C2 N1 Co1 172.3(4) . . . . ?
C5 C13 N1 C2 -5.6(8) . . . . ?
C14 C13 N1 C2 175.2(5) . . . . ?
C5 C13 N1 Co1 176.8(4) . . . . ?
C14 C13 N1 Co1 -2.4(6) . . . . ?
N2 Co1 N1 C2 -175.8(5) . . . . ?
P2 Co1 N1 C2 -168.5(5) . . . . ?
P1 Co1 N1 C2 0.2(4) . . . . ?
N2 Co1 N1 C13 1.6(4) . . . . ?
P2 Co1 N1 C13 8.9(10) . . . . ?
P1 Co1 N1 C13 177.6(4) . . . . ?
C9 C8 N2 C14 1.2(7) . . . . ?
C7 C8 N2 C14 -177.8(5) . . . . ?
C9 C8 N2 Co1 -178.4(4) . . . . ?
C7 C8 N2 Co1 2.5(7) . . . . ?
C11 C14 N2 C8 -1.9(8) . . . . ?
C13 C14 N2 C8 179.7(4) . . . . ?
C11 C14 N2 Co1 177.7(4) . . . . ?
C13 C14 N2 Co1 -0.6(6) . . . . ?
N1 Co1 N2 C8 179.1(4) . . . . ?
P2 Co1 N2 C8 0.6(4) . . . . ?
P1 Co1 N2 C8 161.7(4) . . . . ?
N1 Co1 N2 C14 -0.5(4) . . . . ?
P2 Co1 N2 C14 -179.1(4) . . . . ?
P1 Co1 N2 C14 -17.9(8) . . . . ?
C1 P1 C15 C38 -106.0(5) . . . . ?
C20 P1 C15 C38 144.0(4) . . . . ?
Co1 P1 C15 C38 8.1(5) . . . . ?
C1 P1 C15 C16 71.1(5) . . . . ?
C20 P1 C15 C16 -38.9(5) . . . . ?
Co1 P1 C15 C16 -174.8(4) . . . . ?
C38 C15 C16 C17 0.1(8) . . . . ?
P1 C15 C16 C17 -177.0(5) . . . . ?
C15 C16 C17 C18 1.3(10) . . . . ?
C16 C17 C18 C19 -1.6(10) . . . . ?
C17 C18 C19 C38 0.6(9) . . . . ?
C1 P1 C20 C21 29.5(5) . . . . ?
C15 P1 C20 C21 138.0(4) . . . . ?
Co1 P1 C20 C21 -85.5(5) . . . . ?
C1 P1 C20 C25 -157.8(4) . . . . ?
C15 P1 C20 C25 -49.2(5) . . . . ?
Co1 P1 C20 C25 87.3(4) . . . . ?
C25 C20 C21 C22 -1.5(8) . . . . ?
P1 C20 C21 C22 171.3(4) . . . . ?
C20 C21 C22 C23 -0.8(8) . . . . ?
C21 C22 C23 C24 2.0(8) . . . . ?
C22 C23 C24 C25 -0.8(8) . . . . ?
C23 C24 C25 C20 -1.6(8) . . . . ?
C21 C20 C25 C24 2.7(8) . . . . ?
P1 C20 C25 C24 -170.2(4) . . . . ?
C32 P2 C26 C27 -34.3(5) . . . . ?
C7 P2 C26 C27 -140.4(4) . . . . ?
Co1 P2 C26 C27 106.9(4) . . . . ?
C32 P2 C26 C31 152.2(4) . . . . ?
C7 P2 C26 C31 46.0(4) . . . . ?
Co1 P2 C26 C31 -66.7(4) . . . . ?
C31 C26 C27 C28 -1.5(7) . . . . ?
P2 C26 C27 C28 -175.0(4) . . . . ?
C26 C27 C28 C29 1.0(8) . . . . ?
C27 C28 C29 C30 0.0(8) . . . . ?
C28 C29 C30 C31 -0.4(8) . . . . ?
C29 C30 C31 C26 0.0(8) . . . . ?
C27 C26 C31 C30 1.0(7) . . . . ?
P2 C26 C31 C30 174.7(4) . . . . ?
C26 P2 C32 C37 -49.0(5) . . . . ?
C7 P2 C32 C37 58.1(5) . . . . ?
Co1 P2 C32 C37 175.4(3) . . . . ?
C26 P2 C32 C33 132.1(4) . . . . ?
C7 P2 C32 C33 -120.8(4) . . . . ?
Co1 P2 C32 C33 -3.6(5) . . . . ?
C37 C32 C33 C34 0.6(8) . . . . ?
P2 C32 C33 C34 179.5(4) . . . . ?
C32 C33 C34 C35 0.1(8) . . . . ?
C33 C34 C35 C36 -0.1(8) . . . . ?
C34 C35 C36 C37 -0.6(9) . . . . ?
C35 C36 C37 C32 1.3(9) . . . . ?
C33 C32 C37 C36 -1.3(8) . . . . ?
P2 C32 C37 C36 179.8(4) . . . . ?
C16 C15 C38 C19 -1.2(8) . . . . ?
P1 C15 C38 C19 176.1(4) . . . . ?
C18 C19 C38 C15 0.8(9) . . . . ?

_refine_diff_density_max         0.904
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.079

####################################################################### 
# 
# 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_complex5
_audit_block_doi                 10.5517/ccdc.csd.cc25l8tw
_database_code_depnum_ccdc_archive 'CCDC 2013568'
loop_
_audit_author_name
_audit_author_address
'Nai-Yuan Jheng'
;National Institute of Advanced Industrial Science and Technology
Japan
;
_audit_update_record             
;
2020-07-02 deposited with the CCDC.	2020-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H39 Co N2 P2 Si'
_chemical_formula_weight         720.71

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   15.4631(12)
_cell_length_b                   12.4153(11)
_cell_length_c                   18.8980(12)
_cell_angle_alpha                90
_cell_angle_beta                 103.596(8)
_cell_angle_gamma                90
_cell_volume                     3526.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    5284
_cell_measurement_theta_min      2.2720
_cell_measurement_theta_max      25.4550

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.358
_exptl_crystal_F_000             1504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    0.645
_shelx_estimated_absorpt_T_min   0.921
_shelx_estimated_absorpt_T_max   0.968
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.46378
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   multi-scan
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating Anode'
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38354
_diffrn_reflns_av_unetI/netI     0.1241
_diffrn_reflns_av_R_equivalents  0.1553
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.980
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6209
_reflns_number_gt                3764
_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       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'ORTEP3 for windows'
_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)+(0.0714P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6209
_refine_ls_number_parameters     436
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1227
_refine_ls_R_factor_gt           0.0577
_refine_ls_wR_factor_ref         0.1564
_refine_ls_wR_factor_gt          0.1170
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.000
_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 0.27927(4) 0.39362(5) 0.35269(3) 0.0196(2) Uani 1 1 d . . . . .
N1 N 0.2486(2) 0.5334(3) 0.31677(19) 0.0206(9) Uani 1 1 d . . . . .
N2 N 0.3590(2) 0.4001(3) 0.29061(19) 0.0238(10) Uani 1 1 d . . . . .
C4 C 0.2030(4) 0.7258(4) 0.2411(3) 0.0338(14) Uani 1 1 d . . . . .
H36 H 0.1857 0.7906 0.2149 0.041 Uiso 1 1 calc R U . . .
C1 C 0.1513(3) 0.5648(4) 0.3920(2) 0.0246(12) Uani 1 1 d . . . . .
H42 H 0.1102 0.6059 0.4112 0.030 Uiso 1 1 calc R U . . .
C2 C 0.1872(3) 0.5993(4) 0.3368(2) 0.0220(11) Uani 1 1 d . . . . .
C3 C 0.1653(3) 0.6989(4) 0.2965(3) 0.0292(13) Uani 1 1 d . . . . .
H37 H 0.1234 0.7466 0.3093 0.035 Uiso 1 1 calc R U . . .
C13 C 0.2884(3) 0.5643(4) 0.2623(3) 0.0242(12) Uani 1 1 d . . . . .
C14 C 0.3487(3) 0.4900(4) 0.2475(2) 0.0236(12) Uani 1 1 d . . . . .
C5 C 0.2679(3) 0.6586(4) 0.2217(3) 0.0277(13) Uani 1 1 d . . . . .
C15 C 0.1929(3) 0.2969(4) 0.2848(2) 0.0239(12) Uani 1 1 d . . . . .
H10 H 0.2293 0.2437 0.2657 0.029 Uiso 1 1 calc R U . . .
H11 H 0.1606 0.2561 0.3156 0.029 Uiso 1 1 calc R U . . .
C6 C 0.3106(4) 0.6755(5) 0.1651(3) 0.0367(14) Uani 1 1 d . . . . .
H38 H 0.2980 0.7389 0.1364 0.044 Uiso 1 1 calc R U . . .
C18 C 0.0578(3) 0.2188(4) 0.1602(3) 0.0355(14) Uani 1 1 d . . . . .
H1 H 0.1041 0.1762 0.1456 0.053 Uiso 1 1 calc R U . . .
H2 H 0.0111 0.2368 0.1170 0.053 Uiso 1 1 calc R U . . .
H3 H 0.0321 0.1770 0.1942 0.053 Uiso 1 1 calc R U . . .
P1 P 0.18913(8) 0.43483(10) 0.42444(6) 0.0201(3) Uani 1 1 d . . . . .
P2 P 0.35753(8) 0.24673(11) 0.39244(6) 0.0219(3) Uani 1 1 d . . . . .
C7 C 0.4143(3) 0.2284(4) 0.3217(2) 0.0274(13) Uani 1 1 d . . . . .
H43 H 0.4431 0.1631 0.3145 0.033 Uiso 1 1 calc R U . . .
C8 C 0.4125(3) 0.3168(4) 0.2792(3) 0.0272(13) Uani 1 1 d . . . . .
C9 C 0.4585(3) 0.3317(5) 0.2214(3) 0.0353(14) Uani 1 1 d . . . . .
H39 H 0.4973 0.2767 0.2125 0.042 Uiso 1 1 calc R U . . .
C10 C 0.4481(4) 0.4205(5) 0.1800(3) 0.0389(15) Uani 1 1 d . . . . .
H40 H 0.4795 0.4263 0.1425 0.047 Uiso 1 1 calc R U . . .
C11 C 0.3910(3) 0.5072(5) 0.1905(3) 0.0316(13) Uani 1 1 d . . . . .
C12 C 0.3703(4) 0.6024(5) 0.1500(3) 0.0382(15) Uani 1 1 d . . . . .
H41 H 0.3984 0.6165 0.1113 0.046 Uiso 1 1 calc R U . . .
C16 C 0.0191(4) 0.4287(5) 0.2299(3) 0.0461(16) Uani 1 1 d . . . . .
H4 H -0.0073 0.3890 0.2644 0.069 Uiso 1 1 calc R U . . .
H5 H -0.0270 0.4448 0.1859 0.069 Uiso 1 1 calc R U . . .
H6 H 0.0449 0.4962 0.2523 0.069 Uiso 1 1 calc R U . . .
C17 C 0.1526(4) 0.4188(5) 0.1364(3) 0.0442(16) Uani 1 1 d . . . . .
H7 H 0.1624 0.4945 0.1509 0.066 Uiso 1 1 calc R U . . .
H8 H 0.1100 0.4145 0.0891 0.066 Uiso 1 1 calc R U . . .
H9 H 0.2091 0.3862 0.1329 0.066 Uiso 1 1 calc R U . . .
C19 C 0.0917(3) 0.3563(4) 0.4311(2) 0.0215(11) Uani 1 1 d . . . . .
C26 C 0.3049(3) 0.5445(4) 0.5362(3) 0.0274(12) Uani 1 1 d . . . . .
H12 H 0.3029 0.5996 0.5010 0.033 Uiso 1 1 calc R U . . .
C27 C 0.3615(3) 0.5555(4) 0.6050(3) 0.0334(13) Uani 1 1 d . . . . .
H13 H 0.3988 0.6169 0.6164 0.040 Uiso 1 1 calc R U . . .
C28 C 0.3628(4) 0.4764(5) 0.6561(3) 0.0380(15) Uani 1 1 d . . . . .
H14 H 0.4006 0.4840 0.7033 0.046 Uiso 1 1 calc R U . . .
C25 C 0.2511(3) 0.4536(4) 0.5183(2) 0.0229(12) Uani 1 1 d . . . . .
C29 C 0.3102(4) 0.3867(5) 0.6397(3) 0.0367(14) Uani 1 1 d . . . . .
H15 H 0.3121 0.3325 0.6756 0.044 Uiso 1 1 calc R U . . .
C30 C 0.2542(3) 0.3746(4) 0.5713(3) 0.0297(13) Uani 1 1 d . . . . .
H16 H 0.2178 0.3123 0.5604 0.036 Uiso 1 1 calc R U . . .
C31 C 0.3054(3) 0.1207(4) 0.4058(2) 0.0230(12) Uani 1 1 d . . . . .
C32 C 0.2700(3) 0.0548(4) 0.3469(3) 0.0281(12) Uani 1 1 d . . . . .
H17 H 0.2797 0.0716 0.3003 0.034 Uiso 1 1 calc R U . . .
C33 C 0.2209(3) -0.0347(4) 0.3553(3) 0.0361(14) Uani 1 1 d . . . . .
H18 H 0.1955 -0.0779 0.3142 0.043 Uiso 1 1 calc R U . . .
C34 C 0.2080(4) -0.0624(4) 0.4232(3) 0.0364(14) Uani 1 1 d . . . . .
H19 H 0.1741 -0.1243 0.4287 0.044 Uiso 1 1 calc R U . . .
C35 C 0.2447(3) 0.0001(4) 0.4820(3) 0.0318(13) Uani 1 1 d . . . . .
H20 H 0.2373 -0.0191 0.5289 0.038 Uiso 1 1 calc R U . . .
C20 C 0.0947(3) 0.2446(4) 0.4343(2) 0.0267(12) Uani 1 1 d . . . . .
H21 H 0.1489 0.2086 0.4340 0.032 Uiso 1 1 calc R U . . .
C36 C 0.2923(3) 0.0910(4) 0.4735(3) 0.0261(12) Uani 1 1 d . . . . .
H22 H 0.3167 0.1343 0.5147 0.031 Uiso 1 1 calc R U . . .
C21 C 0.0211(4) 0.1849(5) 0.4380(3) 0.0363(14) Uani 1 1 d . . . . .
H23 H 0.0245 0.1085 0.4402 0.044 Uiso 1 1 calc R U . . .
C37 C 0.4474(3) 0.2568(4) 0.4747(2) 0.0228(11) Uani 1 1 d . . . . .
C22 C -0.0581(4) 0.2362(5) 0.4385(3) 0.0370(15) Uani 1 1 d . . . . .
H24 H -0.1090 0.1951 0.4413 0.044 Uiso 1 1 calc R U . . .
C38 C 0.5027(3) 0.1687(4) 0.4959(2) 0.0237(12) Uani 1 1 d . . . . .
H25 H 0.4903 0.1028 0.4699 0.028 Uiso 1 1 calc R U . . .
C23 C -0.0631(3) 0.3468(5) 0.4350(3) 0.0369(14) Uani 1 1 d . . . . .
H26 H -0.1175 0.3821 0.4353 0.044 Uiso 1 1 calc R U . . .
C39 C 0.5749(3) 0.1755(4) 0.5539(3) 0.0295(13) Uani 1 1 d . . . . .
H27 H 0.6130 0.1152 0.5674 0.035 Uiso 1 1 calc R U . . .
C24 C 0.0114(3) 0.4071(4) 0.4310(2) 0.0277(12) Uani 1 1 d . . . . .
H28 H 0.0075 0.4834 0.4283 0.033 Uiso 1 1 calc R U . . .
C40 C 0.5920(3) 0.2708(4) 0.5924(3) 0.0295(13) Uani 1 1 d . . . . .
H29 H 0.6419 0.2757 0.6327 0.035 Uiso 1 1 calc R U . . .
C41 C 0.5377(3) 0.3580(4) 0.5731(3) 0.0295(13) Uani 1 1 d . . . . .
H30 H 0.5496 0.4231 0.5999 0.035 Uiso 1 1 calc R U . . .
C42 C 0.4647(3) 0.3509(4) 0.5136(3) 0.0266(12) Uani 1 1 d . . . . .
H31 H 0.4269 0.4114 0.5000 0.032 Uiso 1 1 calc R U . . .
Si1 Si 0.10760(9) 0.34553(12) 0.20548(7) 0.0269(4) 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 1.883(4) . ?
Co1 N2 1.893(4) . ?
Co1 C15 2.017(4) . ?
Co1 P2 2.2197(14) . ?
Co1 P1 2.2208(14) . ?
N1 C2 1.372(6) . ?
N1 C13 1.373(6) . ?
N2 C14 1.370(6) . ?
N2 C8 1.373(6) . ?
C4 C3 1.354(7) . ?
C4 C5 1.418(7) . ?
C4 H36 0.9500 . ?
C1 C2 1.361(7) . ?
C1 P1 1.776(5) . ?
C1 H42 0.9500 . ?
C2 C3 1.451(7) . ?
C3 H37 0.9500 . ?
C13 C14 1.387(7) . ?
C13 C5 1.395(7) . ?
C14 C11 1.400(7) . ?
C5 C6 1.399(7) . ?
C15 Si1 1.850(5) . ?
C15 H10 0.9900 . ?
C15 H11 0.9900 . ?
C6 C12 1.372(8) . ?
C6 H38 0.9500 . ?
C18 Si1 1.868(5) . ?
C18 H1 0.9800 . ?
C18 H2 0.9800 . ?
C18 H3 0.9800 . ?
P1 C25 1.821(5) . ?
P1 C19 1.823(5) . ?
P2 C7 1.777(5) . ?
P2 C31 1.805(5) . ?
P2 C37 1.830(5) . ?
C7 C8 1.357(7) . ?
C7 H43 0.9500 . ?
C8 C9 1.449(7) . ?
C9 C10 1.339(7) . ?
C9 H39 0.9500 . ?
C10 C11 1.436(8) . ?
C10 H40 0.9500 . ?
C11 C12 1.404(8) . ?
C12 H41 0.9500 . ?
C16 Si1 1.857(6) . ?
C16 H4 0.9800 . ?
C16 H5 0.9800 . ?
C16 H6 0.9800 . ?
C17 Si1 1.855(5) . ?
C17 H7 0.9800 . ?
C17 H8 0.9800 . ?
C17 H9 0.9800 . ?
C19 C20 1.389(7) . ?
C19 C24 1.392(6) . ?
C26 C27 1.393(7) . ?
C26 C25 1.396(7) . ?
C26 H12 0.9500 . ?
C27 C28 1.374(7) . ?
C27 H13 0.9500 . ?
C28 C29 1.371(7) . ?
C28 H14 0.9500 . ?
C25 C30 1.395(7) . ?
C29 C30 1.386(7) . ?
C29 H15 0.9500 . ?
C30 H16 0.9500 . ?
C31 C32 1.386(6) . ?
C31 C36 1.391(7) . ?
C32 C33 1.376(7) . ?
C32 H17 0.9500 . ?
C33 C34 1.387(7) . ?
C33 H18 0.9500 . ?
C34 C35 1.364(7) . ?
C34 H19 0.9500 . ?
C35 C36 1.377(7) . ?
C35 H20 0.9500 . ?
C20 C21 1.374(7) . ?
C20 H21 0.9500 . ?
C36 H22 0.9500 . ?
C21 C22 1.382(7) . ?
C21 H23 0.9500 . ?
C37 C42 1.373(6) . ?
C37 C38 1.388(6) . ?
C22 C23 1.376(8) . ?
C22 H24 0.9500 . ?
C38 C39 1.371(6) . ?
C38 H25 0.9500 . ?
C23 C24 1.391(7) . ?
C23 H26 0.9500 . ?
C39 C40 1.382(7) . ?
C39 H27 0.9500 . ?
C24 H28 0.9500 . ?
C40 C41 1.365(7) . ?
C40 H29 0.9500 . ?
C41 C42 1.396(6) . ?
C41 H30 0.9500 . ?
C42 H31 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 N2 83.30(18) . . ?
N1 Co1 C15 104.25(17) . . ?
N2 Co1 C15 93.53(18) . . ?
N1 Co1 P2 161.87(13) . . ?
N2 Co1 P2 82.07(13) . . ?
C15 Co1 P2 87.30(14) . . ?
N1 Co1 P1 82.33(12) . . ?
N2 Co1 P1 164.23(14) . . ?
C15 Co1 P1 96.24(15) . . ?
P2 Co1 P1 110.68(5) . . ?
C2 N1 C13 120.1(4) . . ?
C2 N1 Co1 125.6(3) . . ?
C13 N1 Co1 114.1(3) . . ?
C14 N2 C8 120.7(4) . . ?
C14 N2 Co1 113.7(3) . . ?
C8 N2 Co1 124.7(4) . . ?
C3 C4 C5 120.9(5) . . ?
C3 C4 H36 119.5 . . ?
C5 C4 H36 119.5 . . ?
C2 C1 P1 112.9(4) . . ?
C2 C1 H42 123.5 . . ?
P1 C1 H42 123.5 . . ?
C1 C2 N1 117.2(4) . . ?
C1 C2 C3 125.7(5) . . ?
N1 C2 C3 117.0(4) . . ?
C4 C3 C2 121.8(5) . . ?
C4 C3 H37 119.1 . . ?
C2 C3 H37 119.1 . . ?
N1 C13 C14 114.0(4) . . ?
N1 C13 C5 124.3(5) . . ?
C14 C13 C5 121.6(5) . . ?
N2 C14 C13 114.3(4) . . ?
N2 C14 C11 124.9(5) . . ?
C13 C14 C11 120.8(5) . . ?
C13 C5 C6 117.3(5) . . ?
C13 C5 C4 115.8(5) . . ?
C6 C5 C4 126.9(5) . . ?
Si1 C15 Co1 124.1(3) . . ?
Si1 C15 H10 106.3 . . ?
Co1 C15 H10 106.3 . . ?
Si1 C15 H11 106.3 . . ?
Co1 C15 H11 106.3 . . ?
H10 C15 H11 106.4 . . ?
C12 C6 C5 121.5(5) . . ?
C12 C6 H38 119.3 . . ?
C5 C6 H38 119.3 . . ?
Si1 C18 H1 109.5 . . ?
Si1 C18 H2 109.5 . . ?
H1 C18 H2 109.5 . . ?
Si1 C18 H3 109.5 . . ?
H1 C18 H3 109.5 . . ?
H2 C18 H3 109.5 . . ?
C1 P1 C25 106.0(2) . . ?
C1 P1 C19 107.4(2) . . ?
C25 P1 C19 104.8(2) . . ?
C1 P1 Co1 101.66(17) . . ?
C25 P1 Co1 111.23(16) . . ?
C19 P1 Co1 124.48(16) . . ?
C7 P2 C31 108.0(2) . . ?
C7 P2 C37 103.7(2) . . ?
C31 P2 C37 102.4(2) . . ?
C7 P2 Co1 100.20(17) . . ?
C31 P2 Co1 122.27(16) . . ?
C37 P2 Co1 118.44(17) . . ?
C8 C7 P2 113.4(4) . . ?
C8 C7 H43 123.3 . . ?
P2 C7 H43 123.3 . . ?
C7 C8 N2 116.4(4) . . ?
C7 C8 C9 127.3(5) . . ?
N2 C8 C9 116.3(5) . . ?
C10 C9 C8 122.2(5) . . ?
C10 C9 H39 118.9 . . ?
C8 C9 H39 118.9 . . ?
C9 C10 C11 121.9(5) . . ?
C9 C10 H40 119.0 . . ?
C11 C10 H40 119.0 . . ?
C14 C11 C12 117.4(5) . . ?
C14 C11 C10 114.0(5) . . ?
C12 C11 C10 128.6(5) . . ?
C6 C12 C11 121.4(5) . . ?
C6 C12 H41 119.3 . . ?
C11 C12 H41 119.3 . . ?
Si1 C16 H4 109.5 . . ?
Si1 C16 H5 109.5 . . ?
H4 C16 H5 109.5 . . ?
Si1 C16 H6 109.5 . . ?
H4 C16 H6 109.5 . . ?
H5 C16 H6 109.5 . . ?
Si1 C17 H7 109.5 . . ?
Si1 C17 H8 109.5 . . ?
H7 C17 H8 109.5 . . ?
Si1 C17 H9 109.5 . . ?
H7 C17 H9 109.5 . . ?
H8 C17 H9 109.5 . . ?
C20 C19 C24 118.2(5) . . ?
C20 C19 P1 121.2(4) . . ?
C24 C19 P1 120.6(4) . . ?
C27 C26 C25 120.9(5) . . ?
C27 C26 H12 119.6 . . ?
C25 C26 H12 119.6 . . ?
C28 C27 C26 119.2(5) . . ?
C28 C27 H13 120.4 . . ?
C26 C27 H13 120.4 . . ?
C29 C28 C27 120.8(5) . . ?
C29 C28 H14 119.6 . . ?
C27 C28 H14 119.6 . . ?
C30 C25 C26 118.5(4) . . ?
C30 C25 P1 122.0(4) . . ?
C26 C25 P1 119.1(4) . . ?
C28 C29 C30 120.4(5) . . ?
C28 C29 H15 119.8 . . ?
C30 C29 H15 119.8 . . ?
C29 C30 C25 120.2(5) . . ?
C29 C30 H16 119.9 . . ?
C25 C30 H16 119.9 . . ?
C32 C31 C36 117.8(5) . . ?
C32 C31 P2 120.3(4) . . ?
C36 C31 P2 121.6(4) . . ?
C33 C32 C31 120.6(5) . . ?
C33 C32 H17 119.7 . . ?
C31 C32 H17 119.7 . . ?
C32 C33 C34 120.7(5) . . ?
C32 C33 H18 119.7 . . ?
C34 C33 H18 119.7 . . ?
C35 C34 C33 119.3(5) . . ?
C35 C34 H19 120.3 . . ?
C33 C34 H19 120.3 . . ?
C34 C35 C36 120.1(5) . . ?
C34 C35 H20 119.9 . . ?
C36 C35 H20 119.9 . . ?
C21 C20 C19 121.4(5) . . ?
C21 C20 H21 119.3 . . ?
C19 C20 H21 119.3 . . ?
C35 C36 C31 121.5(5) . . ?
C35 C36 H22 119.3 . . ?
C31 C36 H22 119.3 . . ?
C20 C21 C22 119.9(5) . . ?
C20 C21 H23 120.1 . . ?
C22 C21 H23 120.1 . . ?
C42 C37 C38 119.2(4) . . ?
C42 C37 P2 121.8(4) . . ?
C38 C37 P2 119.0(4) . . ?
C23 C22 C21 120.0(5) . . ?
C23 C22 H24 120.0 . . ?
C21 C22 H24 120.0 . . ?
C39 C38 C37 120.8(5) . . ?
C39 C38 H25 119.6 . . ?
C37 C38 H25 119.6 . . ?
C22 C23 C24 120.1(5) . . ?
C22 C23 H26 120.0 . . ?
C24 C23 H26 120.0 . . ?
C38 C39 C40 119.6(5) . . ?
C38 C39 H27 120.2 . . ?
C40 C39 H27 120.2 . . ?
C23 C24 C19 120.5(5) . . ?
C23 C24 H28 119.8 . . ?
C19 C24 H28 119.8 . . ?
C41 C40 C39 120.5(5) . . ?
C41 C40 H29 119.7 . . ?
C39 C40 H29 119.7 . . ?
C40 C41 C42 119.7(5) . . ?
C40 C41 H30 120.1 . . ?
C42 C41 H30 120.1 . . ?
C37 C42 C41 120.2(5) . . ?
C37 C42 H31 119.9 . . ?
C41 C42 H31 119.9 . . ?
C15 Si1 C17 114.6(2) . . ?
C15 Si1 C16 114.0(2) . . ?
C17 Si1 C16 108.8(3) . . ?
C15 Si1 C18 103.6(2) . . ?
C17 Si1 C18 105.9(2) . . ?
C16 Si1 C18 109.5(3) . . ?

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
N2 Co1 N1 C2 -178.8(4) . . . . ?
C15 Co1 N1 C2 89.3(4) . . . . ?
P2 Co1 N1 C2 -142.4(3) . . . . ?
P1 Co1 N1 C2 -5.3(3) . . . . ?
N2 Co1 N1 C13 6.1(3) . . . . ?
C15 Co1 N1 C13 -85.9(3) . . . . ?
P2 Co1 N1 C13 42.4(6) . . . . ?
P1 Co1 N1 C13 179.6(3) . . . . ?
N1 Co1 N2 C14 -6.7(3) . . . . ?
C15 Co1 N2 C14 97.2(3) . . . . ?
P2 Co1 N2 C14 -176.0(3) . . . . ?
P1 Co1 N2 C14 -31.1(6) . . . . ?
N1 Co1 N2 C8 -176.2(4) . . . . ?
C15 Co1 N2 C8 -72.2(4) . . . . ?
P2 Co1 N2 C8 14.6(3) . . . . ?
P1 Co1 N2 C8 159.5(3) . . . . ?
P1 C1 C2 N1 -2.8(5) . . . . ?
P1 C1 C2 C3 176.2(4) . . . . ?
C13 N1 C2 C1 -178.9(4) . . . . ?
Co1 N1 C2 C1 6.3(6) . . . . ?
C13 N1 C2 C3 2.1(6) . . . . ?
Co1 N1 C2 C3 -172.8(3) . . . . ?
C5 C4 C3 C2 -2.0(7) . . . . ?
C1 C2 C3 C4 -178.5(5) . . . . ?
N1 C2 C3 C4 0.5(7) . . . . ?
C2 N1 C13 C14 -179.8(4) . . . . ?
Co1 N1 C13 C14 -4.3(5) . . . . ?
C2 N1 C13 C5 -3.4(6) . . . . ?
Co1 N1 C13 C5 172.1(4) . . . . ?
C8 N2 C14 C13 176.1(4) . . . . ?
Co1 N2 C14 C13 6.1(5) . . . . ?
C8 N2 C14 C11 -1.3(7) . . . . ?
Co1 N2 C14 C11 -171.2(4) . . . . ?
N1 C13 C14 N2 -1.2(6) . . . . ?
C5 C13 C14 N2 -177.7(4) . . . . ?
N1 C13 C14 C11 176.3(4) . . . . ?
C5 C13 C14 C11 -0.2(7) . . . . ?
N1 C13 C5 C6 -176.2(4) . . . . ?
C14 C13 C5 C6 0.0(7) . . . . ?
N1 C13 C5 C4 1.8(7) . . . . ?
C14 C13 C5 C4 178.0(4) . . . . ?
C3 C4 C5 C13 0.8(7) . . . . ?
C3 C4 C5 C6 178.6(5) . . . . ?
C13 C5 C6 C12 0.0(7) . . . . ?
C4 C5 C6 C12 -177.8(5) . . . . ?
C2 C1 P1 C25 115.6(4) . . . . ?
C2 C1 P1 C19 -132.8(4) . . . . ?
C2 C1 P1 Co1 -0.7(4) . . . . ?
C31 P2 C7 C8 144.8(4) . . . . ?
C37 P2 C7 C8 -107.0(4) . . . . ?
Co1 P2 C7 C8 15.9(4) . . . . ?
P2 C7 C8 N2 -8.0(5) . . . . ?
P2 C7 C8 C9 174.2(4) . . . . ?
C14 N2 C8 C7 -176.1(4) . . . . ?
Co1 N2 C8 C7 -7.4(6) . . . . ?
C14 N2 C8 C9 2.0(6) . . . . ?
Co1 N2 C8 C9 170.7(3) . . . . ?
C7 C8 C9 C10 176.3(5) . . . . ?
N2 C8 C9 C10 -1.6(7) . . . . ?
C8 C9 C10 C11 0.4(8) . . . . ?
N2 C14 C11 C12 177.7(4) . . . . ?
C13 C14 C11 C12 0.5(7) . . . . ?
N2 C14 C11 C10 0.1(7) . . . . ?
C13 C14 C11 C10 -177.1(4) . . . . ?
C9 C10 C11 C14 0.4(7) . . . . ?
C9 C10 C11 C12 -177.0(5) . . . . ?
C5 C6 C12 C11 0.3(8) . . . . ?
C14 C11 C12 C6 -0.5(7) . . . . ?
C10 C11 C12 C6 176.7(5) . . . . ?
C1 P1 C19 C20 161.2(4) . . . . ?
C25 P1 C19 C20 -86.4(4) . . . . ?
Co1 P1 C19 C20 43.1(4) . . . . ?
C1 P1 C19 C24 -17.1(4) . . . . ?
C25 P1 C19 C24 95.3(4) . . . . ?
Co1 P1 C19 C24 -135.2(3) . . . . ?
C25 C26 C27 C28 -1.3(7) . . . . ?
C26 C27 C28 C29 1.0(8) . . . . ?
C27 C26 C25 C30 1.0(7) . . . . ?
C27 C26 C25 P1 -172.1(4) . . . . ?
C1 P1 C25 C30 148.4(4) . . . . ?
C19 P1 C25 C30 35.0(5) . . . . ?
Co1 P1 C25 C30 -102.0(4) . . . . ?
C1 P1 C25 C26 -38.7(4) . . . . ?
C19 P1 C25 C26 -152.1(4) . . . . ?
Co1 P1 C25 C26 70.9(4) . . . . ?
C27 C28 C29 C30 -0.5(8) . . . . ?
C28 C29 C30 C25 0.2(8) . . . . ?
C26 C25 C30 C29 -0.5(7) . . . . ?
P1 C25 C30 C29 172.5(4) . . . . ?
C7 P2 C31 C32 -36.1(4) . . . . ?
C37 P2 C31 C32 -145.2(4) . . . . ?
Co1 P2 C31 C32 79.1(4) . . . . ?
C7 P2 C31 C36 149.8(4) . . . . ?
C37 P2 C31 C36 40.7(4) . . . . ?
Co1 P2 C31 C36 -95.0(4) . . . . ?
C36 C31 C32 C33 2.2(7) . . . . ?
P2 C31 C32 C33 -172.1(4) . . . . ?
C31 C32 C33 C34 -1.9(8) . . . . ?
C32 C33 C34 C35 0.0(8) . . . . ?
C33 C34 C35 C36 1.3(8) . . . . ?
C24 C19 C20 C21 -0.5(7) . . . . ?
P1 C19 C20 C21 -178.8(4) . . . . ?
C34 C35 C36 C31 -0.9(8) . . . . ?
C32 C31 C36 C35 -0.9(7) . . . . ?
P2 C31 C36 C35 173.4(4) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C7 P2 C37 C42 112.7(4) . . . . ?
C31 P2 C37 C42 -135.0(4) . . . . ?
Co1 P2 C37 C42 2.8(5) . . . . ?
C7 P2 C37 C38 -63.6(4) . . . . ?
C31 P2 C37 C38 48.8(4) . . . . ?
Co1 P2 C37 C38 -173.4(3) . . . . ?
C20 C21 C22 C23 0.3(8) . . . . ?
C42 C37 C38 C39 -1.4(7) . . . . ?
P2 C37 C38 C39 174.9(4) . . . . ?
C21 C22 C23 C24 -0.1(7) . . . . ?
C37 C38 C39 C40 1.1(7) . . . . ?
C22 C23 C24 C19 -0.4(7) . . . . ?
C20 C19 C24 C23 0.7(7) . . . . ?
P1 C19 C24 C23 179.0(4) . . . . ?
C38 C39 C40 C41 -0.2(7) . . . . ?
C39 C40 C41 C42 -0.3(7) . . . . ?
C38 C37 C42 C41 0.9(7) . . . . ?
P2 C37 C42 C41 -175.4(4) . . . . ?
C40 C41 C42 C37 0.0(7) . . . . ?
Co1 C15 Si1 C17 59.7(4) . . . . ?
Co1 C15 Si1 C16 -66.6(4) . . . . ?
Co1 C15 Si1 C18 174.5(3) . . . . ?

_refine_diff_density_max         0.494
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.140

