# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1896935'
loop_
_audit_author_name
_audit_author_address
'Xuebing Leng'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-02-13 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2014-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C42 H47 Cl Co N2 P'
_chemical_formula_sum            'C42 H47 Cl Co N2 P'
_chemical_formula_weight         705.16
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.053(4)
_cell_length_b                   12.394(4)
_cell_length_c                   12.694(4)
_cell_angle_alpha                89.115(6)
_cell_angle_beta                 87.656(7)
_cell_angle_gamma                75.046(6)
_cell_volume                     1830.4(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1094
_cell_measurement_temperature    130
_cell_measurement_theta_max      22.53
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.930
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0777 before and 0.0506 after correction.
The Ratio of minimum to maximum transmission is 0.7682.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0845
_diffrn_reflns_av_unetI/netI     0.1668
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14533
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.347
_diffrn_reflns_theta_min         1.606
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4004
_reflns_number_total             8144
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.492
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.929
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         8144
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1558
_refine_ls_R_factor_gt           0.0637
_refine_ls_restrained_S_all      0.929
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0518P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1542
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C8(H8), C10(H10), C12(H12)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C9(H9A,H9B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B),
 C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C18(H18), C20(H20), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30),
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40),
  C41(H41), C42(H42)
2.d Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.22316(5) 0.20228(5) 0.33873(5) 0.02693(18) Uani 1 1 d . . . . .
Cl1 Cl 0.20521(10) 0.20047(10) 0.51394(9) 0.0346(3) Uani 1 1 d . . . . .
P1 P 0.06377(10) 0.23815(10) 0.24909(9) 0.0247(3) Uani 1 1 d . . . . .
N1 N 0.4567(3) 0.1334(3) 0.2290(3) 0.0248(8) Uani 1 1 d . . . . .
N2 N 0.3965(3) 0.3131(3) 0.2414(3) 0.0274(9) Uani 1 1 d . . . . .
C1 C 0.3635(4) 0.2162(3) 0.2622(3) 0.0245(10) Uani 1 1 d . . . . .
C2 C 0.5461(4) 0.1786(4) 0.1858(3) 0.0298(11) Uani 1 1 d . . . . .
C3 C 0.5072(4) 0.2903(4) 0.1953(3) 0.0316(11) Uani 1 1 d . . . . .
C4 C 0.5637(4) 0.3827(4) 0.1657(4) 0.0437(14) Uani 1 1 d . . . . .
H4A H 0.5725 0.4231 0.2294 0.066 Uiso 1 1 calc GR . . . .
H4B H 0.5158 0.4344 0.1166 0.066 Uiso 1 1 calc GR . . . .
H4C H 0.6395 0.3505 0.1322 0.066 Uiso 1 1 calc GR . . . .
C5 C 0.6597(4) 0.1150(4) 0.1401(4) 0.0348(12) Uani 1 1 d . . . . .
H5A H 0.6963 0.1663 0.1012 0.052 Uiso 1 1 calc GR . . . .
H5B H 0.6485 0.0579 0.0920 0.052 Uiso 1 1 calc GR . . . .
H5C H 0.7089 0.0791 0.1970 0.052 Uiso 1 1 calc GR . . . .
C6 C 0.4573(4) 0.0115(3) 0.2385(3) 0.0235(10) Uani 1 1 d . . . . .
C7 C 0.5607(4) -0.0561(4) 0.2970(4) 0.0305(11) Uani 1 1 d . . . . .
H7A H 0.5601 -0.0251 0.3685 0.037 Uiso 1 1 calc R . . . .
H7B H 0.6325 -0.0510 0.2589 0.037 Uiso 1 1 calc R . . . .
C8 C 0.5572(4) -0.1805(4) 0.3056(4) 0.0331(11) Uani 1 1 d . . . . .
H8 H 0.6263 -0.2246 0.3423 0.040 Uiso 1 1 calc R . . . .
C9 C 0.5559(4) -0.2270(4) 0.1943(4) 0.0372(12) Uani 1 1 d . . . . .
H9A H 0.6265 -0.2227 0.1537 0.045 Uiso 1 1 calc R . . . .
H9B H 0.5544 -0.3064 0.1991 0.045 Uiso 1 1 calc R . . . .
C10 C 0.4506(4) -0.1601(4) 0.1383(4) 0.0353(12) Uani 1 1 d . . . . .
H10 H 0.4500 -0.1914 0.0662 0.042 Uiso 1 1 calc R . . . .
C11 C 0.3409(4) -0.1664(4) 0.2008(4) 0.0388(12) Uani 1 1 d . . . . .
H11A H 0.2726 -0.1220 0.1647 0.047 Uiso 1 1 calc R . . . .
H11B H 0.3360 -0.2448 0.2055 0.047 Uiso 1 1 calc R . . . .
C12 C 0.3442(4) -0.1205(4) 0.3106(4) 0.0346(12) Uani 1 1 d . . . . .
H12 H 0.2729 -0.1245 0.3519 0.042 Uiso 1 1 calc R . . . .
C13 C 0.3494(4) 0.0022(4) 0.3028(4) 0.0298(11) Uani 1 1 d . . . . .
H13A H 0.2800 0.0471 0.2686 0.036 Uiso 1 1 calc R . . . .
H13B H 0.3506 0.0322 0.3744 0.036 Uiso 1 1 calc R . . . .
C14 C 0.4485(4) -0.1877(4) 0.3678(4) 0.0361(12) Uani 1 1 d . . . . .
H14A H 0.4456 -0.2667 0.3744 0.043 Uiso 1 1 calc R . . . .
H14B H 0.4486 -0.1577 0.4396 0.043 Uiso 1 1 calc R . . . .
C15 C 0.4558(4) -0.0370(4) 0.1285(3) 0.0339(12) Uani 1 1 d . . . . .
H15A H 0.5258 -0.0326 0.0869 0.041 Uiso 1 1 calc R . . . .
H15B H 0.3881 0.0070 0.0912 0.041 Uiso 1 1 calc R . . . .
C16 C 0.3268(4) 0.4220(3) 0.2692(3) 0.0258(10) Uani 1 1 d . . . . .
C17 C 0.2588(4) 0.4878(4) 0.1940(3) 0.0294(11) Uani 1 1 d . . . . .
C18 C 0.1890(4) 0.5905(4) 0.2252(4) 0.0303(11) Uani 1 1 d . . . . .
H18 H 0.1425 0.6362 0.1745 0.036 Uiso 1 1 calc R . . . .
C19 C 0.1844(4) 0.6291(4) 0.3284(4) 0.0309(11) Uani 1 1 d . . . . .
C20 C 0.2553(4) 0.5616(4) 0.4002(4) 0.0327(11) Uani 1 1 d . . . . .
H20 H 0.2547 0.5875 0.4703 0.039 Uiso 1 1 calc R . . . .
C21 C 0.3269(4) 0.4583(4) 0.3738(3) 0.0287(11) Uani 1 1 d . . . . .
C22 C 0.4039(4) 0.3894(4) 0.4536(4) 0.0395(13) Uani 1 1 d . . . . .
H22A H 0.4017 0.4336 0.5174 0.059 Uiso 1 1 calc GR . . . .
H22B H 0.4828 0.3668 0.4241 0.059 Uiso 1 1 calc GR . . . .
H22C H 0.3773 0.3227 0.4715 0.059 Uiso 1 1 calc GR . . . .
C23 C 0.1037(4) 0.7407(4) 0.3603(4) 0.0396(13) Uani 1 1 d . . . . .
H23A H 0.0266 0.7310 0.3762 0.059 Uiso 1 1 calc GR . . . .
H23B H 0.1005 0.7944 0.3023 0.059 Uiso 1 1 calc GR . . . .
H23C H 0.1321 0.7687 0.4229 0.059 Uiso 1 1 calc GR . . . .
C24 C 0.2586(5) 0.4488(4) 0.0823(4) 0.0416(13) Uani 1 1 d . . . . .
H24A H 0.2116 0.3953 0.0795 0.062 Uiso 1 1 calc GR . . . .
H24B H 0.3375 0.4128 0.0579 0.062 Uiso 1 1 calc GR . . . .
H24C H 0.2267 0.5130 0.0369 0.062 Uiso 1 1 calc GR . . . .
C25 C -0.0077(4) 0.3864(4) 0.2464(3) 0.0267(10) Uani 1 1 d . . . . .
C26 C -0.0453(4) 0.4500(4) 0.1564(4) 0.0320(11) Uani 1 1 d . . . . .
H26 H -0.0327 0.4152 0.0892 0.038 Uiso 1 1 calc R . . . .
C27 C -0.1002(4) 0.5618(4) 0.1635(4) 0.0398(13) Uani 1 1 d . . . . .
H27 H -0.1228 0.6040 0.1013 0.048 Uiso 1 1 calc R . . . .
C28 C -0.1228(4) 0.6134(4) 0.2615(4) 0.0348(12) Uani 1 1 d . . . . .
H28 H -0.1632 0.6900 0.2668 0.042 Uiso 1 1 calc R . . . .
C29 C -0.0855(4) 0.5515(4) 0.3515(4) 0.0329(12) Uani 1 1 d . . . . .
H29 H -0.1003 0.5861 0.4187 0.039 Uiso 1 1 calc R . . . .
C30 C -0.0280(4) 0.4418(4) 0.3440(3) 0.0316(11) Uani 1 1 d . . . . .
H30 H -0.0009 0.4016 0.4062 0.038 Uiso 1 1 calc R . . . .
C31 C -0.0499(4) 0.1807(4) 0.3127(3) 0.0250(10) Uani 1 1 d . . . . .
C32 C -0.0176(4) 0.0705(4) 0.3464(3) 0.0317(11) Uani 1 1 d . . . . .
H32 H 0.0601 0.0288 0.3363 0.038 Uiso 1 1 calc R . . . .
C33 C -0.0971(4) 0.0196(4) 0.3949(3) 0.0320(11) Uani 1 1 d . . . . .
H33 H -0.0739 -0.0561 0.4173 0.038 Uiso 1 1 calc R . . . .
C34 C -0.2110(4) 0.0812(4) 0.4100(3) 0.0319(11) Uani 1 1 d . . . . .
H34 H -0.2662 0.0475 0.4424 0.038 Uiso 1 1 calc R . . . .
C35 C -0.2429(4) 0.1912(4) 0.3779(4) 0.0358(12) Uani 1 1 d . . . . .
H35 H -0.3202 0.2335 0.3895 0.043 Uiso 1 1 calc R . . . .
C36 C -0.1637(4) 0.2413(4) 0.3285(3) 0.0288(11) Uani 1 1 d . . . . .
H36 H -0.1872 0.3168 0.3057 0.035 Uiso 1 1 calc R . . . .
C37 C 0.0606(4) 0.1943(3) 0.1112(3) 0.0256(10) Uani 1 1 d . . . . .
C38 C 0.1604(4) 0.1789(4) 0.0478(4) 0.0320(11) Uani 1 1 d . . . . .
H38 H 0.2285 0.1894 0.0763 0.038 Uiso 1 1 calc R . . . .
C39 C 0.1606(4) 0.1482(4) -0.0567(4) 0.0361(12) Uani 1 1 d . . . . .
H39 H 0.2287 0.1394 -0.0998 0.043 Uiso 1 1 calc R . . . .
C40 C 0.0629(5) 0.1303(4) -0.0991(4) 0.0407(13) Uani 1 1 d . . . . .
H40 H 0.0638 0.1086 -0.1707 0.049 Uiso 1 1 calc R . . . .
C41 C -0.0357(5) 0.1444(4) -0.0361(4) 0.0478(14) Uani 1 1 d . . . . .
H41 H -0.1030 0.1319 -0.0645 0.057 Uiso 1 1 calc R . . . .
C42 C -0.0379(4) 0.1765(4) 0.0683(4) 0.0402(13) Uani 1 1 d . . . . .
H42 H -0.1065 0.1864 0.1107 0.048 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 Cl1 2.2260(15) . ?
Co1 P1 2.2149(15) . ?
Co1 C1 1.961(4) . ?
P1 C25 1.818(4) . ?
P1 C31 1.852(4) . ?
P1 C37 1.846(4) . ?
N1 C1 1.368(5) . ?
N1 C2 1.425(5) . ?
N1 C6 1.511(5) . ?
N2 C1 1.378(5) . ?
N2 C3 1.396(5) . ?
N2 C16 1.434(5) . ?
C2 C3 1.348(6) . ?
C2 C5 1.492(6) . ?
C3 C4 1.512(6) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.525(6) . ?
C6 C13 1.536(6) . ?
C6 C15 1.531(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.554(6) . ?
C8 H8 1.0000 . ?
C8 C9 1.536(6) . ?
C8 C14 1.524(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.523(6) . ?
C10 H10 1.0000 . ?
C10 C11 1.532(6) . ?
C10 C15 1.546(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.520(6) . ?
C12 H12 1.0000 . ?
C12 C13 1.540(6) . ?
C12 C14 1.522(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.393(6) . ?
C16 C21 1.409(6) . ?
C17 C18 1.386(6) . ?
C17 C24 1.505(6) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(6) . ?
C19 C20 1.390(6) . ?
C19 C23 1.521(6) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(6) . ?
C21 C22 1.503(6) . ?
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 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.401(6) . ?
C25 C30 1.407(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.376(6) . ?
C27 H27 0.9500 . ?
C27 C28 1.392(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.360(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(6) . ?
C31 C36 1.391(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.395(6) . ?
C33 H33 0.9500 . ?
C33 C34 1.395(6) . ?
C34 H34 0.9500 . ?
C34 C35 1.378(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.391(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.392(6) . ?
C37 C42 1.394(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.384(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.380(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(6) . ?
C42 H42 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
P1 Co1 Cl1 117.65(5) . . ?
C1 Co1 Cl1 123.05(13) . . ?
C1 Co1 P1 117.00(13) . . ?
C25 P1 Co1 112.02(15) . . ?
C25 P1 C31 101.1(2) . . ?
C25 P1 C37 103.7(2) . . ?
C31 P1 Co1 113.12(15) . . ?
C37 P1 Co1 123.00(15) . . ?
C37 P1 C31 101.23(19) . . ?
C1 N1 C2 111.2(4) . . ?
C1 N1 C6 121.5(3) . . ?
C2 N1 C6 127.3(3) . . ?
C1 N2 C3 111.2(4) . . ?
C1 N2 C16 123.4(4) . . ?
C3 N2 C16 125.3(4) . . ?
N1 C1 Co1 128.6(3) . . ?
N1 C1 N2 104.0(4) . . ?
N2 C1 Co1 127.0(3) . . ?
N1 C2 C5 126.9(4) . . ?
C3 C2 N1 105.9(4) . . ?
C3 C2 C5 127.2(4) . . ?
N2 C3 C4 121.5(4) . . ?
C2 C3 N2 107.7(4) . . ?
C2 C3 C4 130.8(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N1 C6 C7 112.1(4) . . ?
N1 C6 C13 108.7(3) . . ?
N1 C6 C15 109.6(3) . . ?
C7 C6 C13 106.9(4) . . ?
C7 C6 C15 110.2(3) . . ?
C15 C6 C13 109.2(4) . . ?
C6 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
C6 C7 C8 110.2(4) . . ?
H7A C7 H7B 108.1 . . ?
C8 C7 H7A 109.6 . . ?
C8 C7 H7B 109.6 . . ?
C7 C8 H8 109.7 . . ?
C9 C8 C7 109.2(4) . . ?
C9 C8 H8 109.7 . . ?
C14 C8 C7 109.1(4) . . ?
C14 C8 H8 109.7 . . ?
C14 C8 C9 109.4(4) . . ?
C8 C9 H9A 109.7 . . ?
C8 C9 H9B 109.7 . . ?
H9A C9 H9B 108.2 . . ?
C10 C9 C8 109.8(4) . . ?
C10 C9 H9A 109.7 . . ?
C10 C9 H9B 109.7 . . ?
C9 C10 H10 109.3 . . ?
C9 C10 C11 110.0(4) . . ?
C9 C10 C15 109.2(4) . . ?
C11 C10 H10 109.3 . . ?
C11 C10 C15 109.6(4) . . ?
C15 C10 H10 109.3 . . ?
C10 C11 H11A 109.9 . . ?
C10 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
C12 C11 C10 108.7(4) . . ?
C12 C11 H11A 109.9 . . ?
C12 C11 H11B 109.9 . . ?
C11 C12 H12 109.0 . . ?
C11 C12 C13 109.7(4) . . ?
C11 C12 C14 110.9(4) . . ?
C13 C12 H12 109.0 . . ?
C14 C12 H12 109.0 . . ?
C14 C12 C13 109.1(4) . . ?
C6 C13 C12 110.4(4) . . ?
C6 C13 H13A 109.6 . . ?
C6 C13 H13B 109.6 . . ?
C12 C13 H13A 109.6 . . ?
C12 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C8 C14 H14A 109.9 . . ?
C8 C14 H14B 109.9 . . ?
C12 C14 C8 109.0(4) . . ?
C12 C14 H14A 109.9 . . ?
C12 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C6 C15 C10 109.7(4) . . ?
C6 C15 H15A 109.7 . . ?
C6 C15 H15B 109.7 . . ?
C10 C15 H15A 109.7 . . ?
C10 C15 H15B 109.7 . . ?
H15A C15 H15B 108.2 . . ?
C17 C16 N2 119.9(4) . . ?
C17 C16 C21 121.7(4) . . ?
C21 C16 N2 118.4(4) . . ?
C16 C17 C24 121.6(4) . . ?
C18 C17 C16 118.1(4) . . ?
C18 C17 C24 120.3(4) . . ?
C17 C18 H18 118.8 . . ?
C17 C18 C19 122.3(4) . . ?
C19 C18 H18 118.8 . . ?
C18 C19 C23 120.7(4) . . ?
C20 C19 C18 117.6(4) . . ?
C20 C19 C23 121.7(4) . . ?
C19 C20 H20 118.6 . . ?
C21 C20 C19 122.8(4) . . ?
C21 C20 H20 118.6 . . ?
C16 C21 C22 121.6(4) . . ?
C20 C21 C16 117.6(4) . . ?
C20 C21 C22 120.8(4) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C24 H24A 109.5 . . ?
C17 C24 H24B 109.5 . . ?
C17 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P1 125.9(3) . . ?
C26 C25 C30 117.3(4) . . ?
C30 C25 P1 116.8(4) . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.2(4) . . ?
C27 C26 H26 119.4 . . ?
C26 C27 H27 119.9 . . ?
C26 C27 C28 120.3(5) . . ?
C28 C27 H27 119.9 . . ?
C27 C28 H28 120.4 . . ?
C29 C28 C27 119.1(4) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.7 . . ?
C25 C30 H30 119.2 . . ?
C29 C30 C25 121.6(5) . . ?
C29 C30 H30 119.2 . . ?
C32 C31 P1 116.9(3) . . ?
C32 C31 C36 119.0(4) . . ?
C36 C31 P1 124.1(3) . . ?
C31 C32 H32 119.4 . . ?
C31 C32 C33 121.2(4) . . ?
C33 C32 H32 119.4 . . ?
C32 C33 H33 120.4 . . ?
C32 C33 C34 119.2(4) . . ?
C34 C33 H33 120.4 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.7(4) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 120.9(4) . . ?
C36 C35 H35 119.5 . . ?
C31 C36 C35 120.0(4) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 P1 118.5(3) . . ?
C38 C37 C42 119.0(4) . . ?
C42 C37 P1 122.5(3) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.1(4) . . ?
C39 C38 H38 119.9 . . ?
C38 C39 H39 119.6 . . ?
C40 C39 C38 120.8(5) . . ?
C40 C39 H39 119.6 . . ?
C39 C40 H40 120.5 . . ?
C41 C40 C39 119.1(5) . . ?
C41 C40 H40 120.5 . . ?
C40 C41 H41 119.6 . . ?
C40 C41 C42 120.9(5) . . ?
C42 C41 H41 119.6 . . ?
C37 C42 H42 119.9 . . ?
C41 C42 C37 120.1(4) . . ?
C41 C42 H42 119.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 P1 C25 C26 129.7(4) . . . . ?
Co1 P1 C25 C30 -51.1(4) . . . . ?
Co1 P1 C31 C32 -47.8(4) . . . . ?
Co1 P1 C31 C36 131.9(3) . . . . ?
Co1 P1 C37 C38 -25.9(4) . . . . ?
Co1 P1 C37 C42 154.3(3) . . . . ?
P1 C25 C26 C27 179.0(4) . . . . ?
P1 C25 C30 C29 -177.0(4) . . . . ?
P1 C31 C32 C33 -179.8(3) . . . . ?
P1 C31 C36 C35 -179.5(3) . . . . ?
P1 C37 C38 C39 -178.7(3) . . . . ?
P1 C37 C42 C41 179.5(4) . . . . ?
N1 C2 C3 N2 -0.9(5) . . . . ?
N1 C2 C3 C4 178.7(5) . . . . ?
N1 C6 C7 C8 179.5(3) . . . . ?
N1 C6 C13 C12 177.8(4) . . . . ?
N1 C6 C15 C10 -177.3(4) . . . . ?
N2 C16 C17 C18 177.3(4) . . . . ?
N2 C16 C17 C24 -1.6(7) . . . . ?
N2 C16 C21 C20 -177.3(4) . . . . ?
N2 C16 C21 C22 4.2(6) . . . . ?
C1 N1 C2 C3 1.4(5) . . . . ?
C1 N1 C2 C5 -179.0(4) . . . . ?
C1 N1 C6 C7 -126.1(4) . . . . ?
C1 N1 C6 C13 -8.1(5) . . . . ?
C1 N1 C6 C15 111.2(4) . . . . ?
C1 N2 C3 C2 0.2(5) . . . . ?
C1 N2 C3 C4 -179.4(4) . . . . ?
C1 N2 C16 C17 -97.6(5) . . . . ?
C1 N2 C16 C21 80.8(5) . . . . ?
C2 N1 C1 Co1 -173.9(3) . . . . ?
C2 N1 C1 N2 -1.2(5) . . . . ?
C2 N1 C6 C7 54.8(5) . . . . ?
C2 N1 C6 C13 172.7(4) . . . . ?
C2 N1 C6 C15 -67.9(5) . . . . ?
C3 N2 C1 Co1 173.5(3) . . . . ?
C3 N2 C1 N1 0.6(5) . . . . ?
C3 N2 C16 C17 85.8(6) . . . . ?
C3 N2 C16 C21 -95.8(5) . . . . ?
C5 C2 C3 N2 179.4(4) . . . . ?
C5 C2 C3 C4 -0.9(8) . . . . ?
C6 N1 C1 Co1 6.8(6) . . . . ?
C6 N1 C1 N2 179.5(3) . . . . ?
C6 N1 C2 C3 -179.4(4) . . . . ?
C6 N1 C2 C5 0.2(7) . . . . ?
C6 C7 C8 C9 58.2(5) . . . . ?
C6 C7 C8 C14 -61.3(5) . . . . ?
C7 C6 C13 C12 -61.0(5) . . . . ?
C7 C6 C15 C10 58.9(5) . . . . ?
C7 C8 C9 C10 -59.9(5) . . . . ?
C7 C8 C14 C12 60.0(5) . . . . ?
C8 C9 C10 C11 -59.3(5) . . . . ?
C8 C9 C10 C15 61.0(5) . . . . ?
C9 C8 C14 C12 -59.4(5) . . . . ?
C9 C10 C11 C12 58.8(5) . . . . ?
C9 C10 C15 C6 -60.2(5) . . . . ?
C10 C11 C12 C13 60.8(5) . . . . ?
C10 C11 C12 C14 -59.8(5) . . . . ?
C11 C10 C15 C6 60.4(5) . . . . ?
C11 C12 C13 C6 -59.9(5) . . . . ?
C11 C12 C14 C8 60.5(5) . . . . ?
C13 C6 C7 C8 60.5(4) . . . . ?
C13 C6 C15 C10 -58.3(5) . . . . ?
C13 C12 C14 C8 -60.4(5) . . . . ?
C14 C8 C9 C10 59.5(5) . . . . ?
C14 C12 C13 C6 61.8(5) . . . . ?
C15 C6 C7 C8 -58.1(5) . . . . ?
C15 C6 C13 C12 58.2(5) . . . . ?
C15 C10 C11 C12 -61.3(5) . . . . ?
C16 N2 C1 Co1 -3.6(6) . . . . ?
C16 N2 C1 N1 -176.4(4) . . . . ?
C16 N2 C3 C2 177.2(4) . . . . ?
C16 N2 C3 C4 -2.5(7) . . . . ?
C16 C17 C18 C19 -0.3(7) . . . . ?
C17 C16 C21 C20 1.1(7) . . . . ?
C17 C16 C21 C22 -177.4(4) . . . . ?
C17 C18 C19 C20 1.6(7) . . . . ?
C17 C18 C19 C23 -178.1(4) . . . . ?
C18 C19 C20 C21 -1.6(7) . . . . ?
C19 C20 C21 C16 0.3(7) . . . . ?
C19 C20 C21 C22 178.8(4) . . . . ?
C21 C16 C17 C18 -1.1(7) . . . . ?
C21 C16 C17 C24 -179.9(4) . . . . ?
C23 C19 C20 C21 178.1(4) . . . . ?
C24 C17 C18 C19 178.6(4) . . . . ?
C25 P1 C31 C32 -167.8(3) . . . . ?
C25 P1 C31 C36 12.0(4) . . . . ?
C25 P1 C37 C38 102.2(4) . . . . ?
C25 P1 C37 C42 -77.5(4) . . . . ?
C25 C26 C27 C28 -2.1(7) . . . . ?
C26 C25 C30 C29 2.3(7) . . . . ?
C26 C27 C28 C29 2.3(7) . . . . ?
C27 C28 C29 C30 -0.2(7) . . . . ?
C28 C29 C30 C25 -2.1(7) . . . . ?
C30 C25 C26 C27 -0.2(7) . . . . ?
C31 P1 C25 C26 -109.6(4) . . . . ?
C31 P1 C25 C30 69.6(4) . . . . ?
C31 P1 C37 C38 -153.2(4) . . . . ?
C31 P1 C37 C42 27.0(4) . . . . ?
C31 C32 C33 C34 -0.3(7) . . . . ?
C32 C31 C36 C35 0.2(6) . . . . ?
C32 C33 C34 C35 -0.6(7) . . . . ?
C33 C34 C35 C36 1.3(7) . . . . ?
C34 C35 C36 C31 -1.1(7) . . . . ?
C36 C31 C32 C33 0.4(6) . . . . ?
C37 P1 C25 C26 -5.0(5) . . . . ?
C37 P1 C25 C30 174.2(3) . . . . ?
C37 P1 C31 C32 85.7(4) . . . . ?
C37 P1 C31 C36 -94.6(4) . . . . ?
C37 C38 C39 C40 -1.3(7) . . . . ?
C38 C37 C42 C41 -0.2(7) . . . . ?
C38 C39 C40 C41 0.6(8) . . . . ?
C39 C40 C41 C42 0.3(8) . . . . ?
C40 C41 C42 C37 -0.5(8) . . . . ?
C42 C37 C38 C39 1.1(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dm15035
_database_code_depnum_ccdc_archive 'CCDC 1896936'
loop_
_audit_author_name
_audit_author_address
'Xuebing Leng'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-02-15 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2019-02-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H46 Co N2 P, 1.5(C6 H14)'
_chemical_formula_sum            'C51 H67 Co N2 P'
_chemical_formula_weight         797.96
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.139(5)
_cell_length_b                   14.698(4)
_cell_length_c                   17.703(5)
_cell_angle_alpha                90
_cell_angle_beta                 113.541(4)
_cell_angle_gamma                90
_cell_volume                     4327(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2935
_cell_measurement_temperature    130
_cell_measurement_theta_max      23.750
_cell_measurement_theta_min      2.310
_shelx_estimated_absorpt_T_max   0.963
_shelx_estimated_absorpt_T_min   0.912
_exptl_absorpt_coefficient_mu    0.470
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2008/4 (Bruker,2010) was used for absorption correction.

Final HKLF 4 output contains 51866 reflections, Rint = 0.1050
 (16687 with I > 3sig(I), Rint = 0.0764)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0925
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10007
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.662
_diffrn_reflns_theta_min         1.225
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6836
_reflns_number_total             10007
_reflns_special_details          
;
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.839
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         10007
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1156
_refine_ls_R_factor_gt           0.0712
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0886P)²+4.9646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1731
_refine_ls_wR_factor_ref         0.2021
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6744(16)
 0.3256(16)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C2(H2), C15(H15), C17(H17), C19(H19)
3.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C16(H16A,H16B), C18(H18A,H18B), C20(H20A,H20B), C21(H21A,
 H21B), C44(H44A,H44B), C45(H45A,H45B), C46(H46A,H46B), C47(H47A,H47B),
 C50(H50A,H50B), C51(H51A,H51B)
3.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C24(H24), C26(H26), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36), C38(H38), C39(H39), C40(H40), C41(H41),
  C42(H42)
3.d Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C43(H43A,H43B,H43C), C48(H48A,H48B,H48C), C49(H49A,
 H49B,H49C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.24130(3) 0.54365(4) 0.24230(4) 0.03046(16) Uani 1 1 d . . . . .
P1 P 0.17529(7) 0.61850(8) 0.03249(7) 0.0330(3) Uani 1 1 d . . . . .
N1 N 0.4079(2) 0.5199(2) 0.3227(2) 0.0291(7) Uani 1 1 d . . . . .
N2 N 0.3863(2) 0.6628(2) 0.3270(2) 0.0302(8) Uani 1 1 d . . . . .
C1 C 0.3473(2) 0.5824(3) 0.2997(2) 0.0289(9) Uani 1 1 d . . . . .
C2 C 0.2994(3) 0.4300(3) 0.2374(3) 0.0389(10) Uani 1 1 d . . . . .
H2 H 0.3132 0.4388 0.1886 0.047 Uiso 1 1 calc R . . . .
C3 C 0.1590(2) 0.5916(3) 0.1253(3) 0.0322(9) Uani 1 1 d . . . . .
C4 C 0.1765(2) 0.6602(3) 0.1868(3) 0.0326(9) Uani 1 1 d . . . . .
H4 H 0.1949 0.7179 0.1773 0.039 Uiso 1 1 calc R . . . .
C5 C 0.1677(3) 0.6455(4) 0.2601(3) 0.0382(11) Uani 1 1 d . . . . .
H5 H 0.1779 0.6936 0.2988 0.046 Uiso 1 1 calc R . . . .
C6 C 0.1435(3) 0.5594(4) 0.2774(3) 0.0448(12) Uani 1 1 d . . . . .
H6 H 0.1393 0.5482 0.3283 0.054 Uiso 1 1 calc R . . . .
C7 C 0.1261(3) 0.4917(4) 0.2182(3) 0.0383(11) Uani 1 1 d . . . . .
H7 H 0.1092 0.4337 0.2287 0.046 Uiso 1 1 calc R . . . .
C8 C 0.1331(2) 0.5075(3) 0.1424(3) 0.0331(10) Uani 1 1 d . . . . .
H8 H 0.1200 0.4603 0.1026 0.040 Uiso 1 1 calc R . . . .
C9 C 0.4837(3) 0.5602(3) 0.3646(3) 0.0340(10) Uani 1 1 d . . . . .
C10 C 0.4700(3) 0.6501(3) 0.3671(3) 0.0321(9) Uani 1 1 d . . . . .
C11 C 0.5611(3) 0.5117(4) 0.3965(3) 0.0449(12) Uani 1 1 d . . . . .
H11A H 0.5602 0.4642 0.4350 0.067 Uiso 1 1 calc GR . . . .
H11B H 0.6046 0.5547 0.4251 0.067 Uiso 1 1 calc GR . . . .
H11C H 0.5701 0.4838 0.3506 0.067 Uiso 1 1 calc GR . . . .
C12 C 0.5254(3) 0.7275(3) 0.4003(3) 0.0405(11) Uani 1 1 d . . . . .
H12A H 0.5183 0.7710 0.3560 0.061 Uiso 1 1 calc GR . . . .
H12B H 0.5810 0.7054 0.4232 0.061 Uiso 1 1 calc GR . . . .
H12C H 0.5138 0.7576 0.4437 0.061 Uiso 1 1 calc GR . . . .
C13 C 0.3816(2) 0.4247(3) 0.3112(3) 0.0313(9) Uani 1 1 d . . . . .
C14 C 0.4368(3) 0.3602(4) 0.2901(3) 0.0480(12) Uani 1 1 d . . . . .
H14A H 0.4905 0.3580 0.3363 0.058 Uiso 1 1 calc R . . . .
H14B H 0.4436 0.3820 0.2403 0.058 Uiso 1 1 calc R . . . .
C15 C 0.3978(3) 0.2628(4) 0.2743(3) 0.0507(13) Uani 1 1 d . . . . .
H15 H 0.4325 0.2189 0.2602 0.061 Uiso 1 1 calc R . . . .
C16 C 0.3155(3) 0.2704(4) 0.2034(3) 0.0546(14) Uani 1 1 d . . . . .
H16A H 0.3220 0.2937 0.1540 0.066 Uiso 1 1 calc R . . . .
H16B H 0.2908 0.2092 0.1903 0.066 Uiso 1 1 calc R . . . .
C17 C 0.2603(3) 0.3333(4) 0.2246(3) 0.0494(13) Uani 1 1 d . . . . .
H17 H 0.2058 0.3346 0.1785 0.059 Uiso 1 1 calc R . . . .
C18 C 0.2541(3) 0.3039(4) 0.3030(3) 0.0526(14) Uani 1 1 d . . . . .
H18A H 0.2270 0.2440 0.2942 0.063 Uiso 1 1 calc R . . . .
H18B H 0.2207 0.3482 0.3174 0.063 Uiso 1 1 calc R . . . .
C19 C 0.3358(3) 0.2967(4) 0.3741(4) 0.0562(14) Uani 1 1 d . . . . .
H19 H 0.3300 0.2740 0.4248 0.067 Uiso 1 1 calc R . . . .
C20 C 0.3743(3) 0.3927(3) 0.3892(3) 0.0450(12) Uani 1 1 d . . . . .
H20A H 0.3403 0.4356 0.4044 0.054 Uiso 1 1 calc R . . . .
H20B H 0.4281 0.3905 0.4351 0.054 Uiso 1 1 calc R . . . .
C21 C 0.3911(3) 0.2356(4) 0.3523(4) 0.0542(14) Uani 1 1 d . . . . .
H21A H 0.4453 0.2370 0.3977 0.065 Uiso 1 1 calc R . . . .
H21B H 0.3710 0.1723 0.3470 0.065 Uiso 1 1 calc R . . . .
C22 C 0.3495(3) 0.7499(3) 0.3231(3) 0.0291(9) Uani 1 1 d . . . . .
C23 C 0.3397(3) 0.8073(3) 0.2573(3) 0.0321(9) Uani 1 1 d . . . . .
C24 C 0.3080(3) 0.8928(3) 0.2582(3) 0.0347(9) Uani 1 1 d . . . . .
H24 H 0.3015 0.9339 0.2145 0.042 Uiso 1 1 calc R . . . .
C25 C 0.2856(3) 0.9202(3) 0.3212(3) 0.0372(10) Uani 1 1 d . . . . .
C26 C 0.2949(3) 0.8613(3) 0.3840(3) 0.0373(10) Uani 1 1 d . . . . .
H26 H 0.2787 0.8796 0.4266 0.045 Uiso 1 1 calc R . . . .
C27 C 0.3276(3) 0.7751(3) 0.3870(3) 0.0346(10) Uani 1 1 d . . . . .
C28 C 0.3390(3) 0.7116(3) 0.4570(3) 0.0429(11) Uani 1 1 d . . . . .
H28A H 0.3106 0.6544 0.4353 0.064 Uiso 1 1 calc GR . . . .
H28B H 0.3172 0.7395 0.4941 0.064 Uiso 1 1 calc GR . . . .
H28C H 0.3964 0.6993 0.4874 0.064 Uiso 1 1 calc GR . . . .
C29 C 0.2505(3) 1.0138(3) 0.3195(3) 0.0470(12) Uani 1 1 d . . . . .
H29A H 0.2856 1.0484 0.3678 0.070 Uiso 1 1 calc GR . . . .
H29B H 0.1970 1.0081 0.3203 0.070 Uiso 1 1 calc GR . . . .
H29C H 0.2462 1.0456 0.2692 0.070 Uiso 1 1 calc GR . . . .
C30 C 0.3616(3) 0.7775(3) 0.1882(3) 0.0354(10) Uani 1 1 d . . . . .
H30A H 0.4188 0.7615 0.2100 0.053 Uiso 1 1 calc GR . . . .
H30B H 0.3511 0.8271 0.1482 0.053 Uiso 1 1 calc GR . . . .
H30C H 0.3293 0.7243 0.1610 0.053 Uiso 1 1 calc GR . . . .
C31 C 0.1562(3) 0.5082(3) -0.0198(3) 0.0343(10) Uani 1 1 d . . . . .
C32 C 0.2175(3) 0.4431(4) 0.0073(3) 0.0428(12) Uani 1 1 d . . . . .
H32 H 0.2669 0.4570 0.0519 0.051 Uiso 1 1 calc R . . . .
C33 C 0.2070(3) 0.3594(4) -0.0300(3) 0.0499(13) Uani 1 1 d . . . . .
H33 H 0.2489 0.3156 -0.0101 0.060 Uiso 1 1 calc R . . . .
C34 C 0.1374(3) 0.3381(4) -0.0954(3) 0.0503(13) Uani 1 1 d . . . . .
H34 H 0.1310 0.2802 -0.1210 0.060 Uiso 1 1 calc R . . . .
C35 C 0.0766(3) 0.4016(4) -0.1236(4) 0.0513(13) Uani 1 1 d . . . . .
H35 H 0.0281 0.3873 -0.1691 0.062 Uiso 1 1 calc R . . . .
C36 C 0.0856(3) 0.4856(4) -0.0863(3) 0.0421(11) Uani 1 1 d . . . . .
H36 H 0.0431 0.5286 -0.1064 0.050 Uiso 1 1 calc R . . . .
C37 C 0.0838(3) 0.6811(3) -0.0298(3) 0.0348(10) Uani 1 1 d . . . . .
C38 C 0.0846(3) 0.7306(4) -0.0964(3) 0.0518(14) Uani 1 1 d . . . . .
H38 H 0.1317 0.7311 -0.1075 0.062 Uiso 1 1 calc R . . . .
C39 C 0.0184(4) 0.7783(4) -0.1461(4) 0.0589(15) Uani 1 1 d . . . . .
H39 H 0.0196 0.8102 -0.1923 0.071 Uiso 1 1 calc R . . . .
C40 C -0.0493(3) 0.7810(4) -0.1306(3) 0.0521(13) Uani 1 1 d . . . . .
H40 H -0.0949 0.8149 -0.1653 0.063 Uiso 1 1 calc R . . . .
C41 C -0.0510(3) 0.7342(3) -0.0641(3) 0.0442(11) Uani 1 1 d . . . . .
H41 H -0.0979 0.7357 -0.0526 0.053 Uiso 1 1 calc R . . . .
C42 C 0.0159(3) 0.6845(3) -0.0138(3) 0.0380(11) Uani 1 1 d . . . . .
H42 H 0.0145 0.6526 0.0323 0.046 Uiso 1 1 calc R . . . .
C43 C 0.2067(5) 0.0700(6) -0.0095(5) 0.085(2) Uani 1 1 d . . . . .
H43A H 0.1597 0.1058 -0.0441 0.128 Uiso 1 1 calc GR . . . .
H43B H 0.2377 0.0528 -0.0417 0.128 Uiso 1 1 calc GR . . . .
H43C H 0.2405 0.1064 0.0381 0.128 Uiso 1 1 calc GR . . . .
C44 C 0.1798(4) -0.0123(5) 0.0190(4) 0.0681(17) Uani 1 1 d . . . . .
H44A H 0.2274 -0.0488 0.0529 0.082 Uiso 1 1 calc R . . . .
H44B H 0.1468 -0.0495 -0.0294 0.082 Uiso 1 1 calc R . . . .
C45 C 0.1309(4) 0.0085(5) 0.0692(4) 0.0590(15) Uani 1 1 d . . . . .
H45A H 0.1649 0.0433 0.1188 0.071 Uiso 1 1 calc R . . . .
H45B H 0.0850 0.0478 0.0361 0.071 Uiso 1 1 calc R . . . .
C46 C 0.0989(4) -0.0747(4) 0.0960(4) 0.0618(15) Uani 1 1 d . . . . .
H46A H 0.1448 -0.1135 0.1298 0.074 Uiso 1 1 calc R . . . .
H46B H 0.0656 -0.1099 0.0464 0.074 Uiso 1 1 calc R . . . .
C47 C 0.0488(4) -0.0539(4) 0.1452(4) 0.0652(16) Uani 1 1 d . . . . .
H47A H 0.0805 -0.0145 0.1924 0.078 Uiso 1 1 calc R . . . .
H47B H 0.0003 -0.0194 0.1099 0.078 Uiso 1 1 calc R . . . .
C48 C 0.0228(5) -0.1370(6) 0.1771(6) 0.102(3) Uani 1 1 d . . . . .
H48A H -0.0080 -0.1769 0.1309 0.153 Uiso 1 1 calc GR . . . .
H48B H -0.0109 -0.1191 0.2062 0.153 Uiso 1 1 calc GR . . . .
H48C H 0.0704 -0.1695 0.2151 0.153 Uiso 1 1 calc GR . . . .
C49 C 0.4356(4) 0.5693(4) 0.1298(4) 0.0669(16) Uani 1 1 d . . . . .
H49A H 0.4156 0.6250 0.0978 0.100 Uiso 1 1 calc GR . . . .
H49B H 0.4864 0.5822 0.1765 0.100 Uiso 1 1 calc GR . . . .
H49C H 0.3960 0.5472 0.1503 0.100 Uiso 1 1 calc GR . . . .
C50 C 0.4489(5) 0.4992(5) 0.0770(5) 0.076(2) Uani 1 1 d . . . . .
H50A H 0.3961 0.4763 0.0379 0.091 Uiso 1 1 calc R . . . .
H50B H 0.4783 0.4475 0.1119 0.091 Uiso 1 1 calc R . . . .
C51 C 0.4951(4) 0.5331(4) 0.0293(4) 0.0564(14) Uani 1 1 d . . . . .
H51A H 0.4677 0.5878 -0.0019 0.068 Uiso 1 1 calc R . . . .
H51B H 0.5492 0.5520 0.0688 0.068 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C1 1.869(4) . ?
Co1 C2 1.995(5) . ?
Co1 C3 2.132(4) . ?
Co1 C4 2.088(4) . ?
Co1 C5 2.112(4) . ?
Co1 C6 2.113(5) . ?
Co1 C7 2.102(4) . ?
Co1 C8 2.118(4) . ?
P1 C3 1.826(4) . ?
P1 C31 1.830(5) . ?
P1 C37 1.832(5) . ?
N1 C1 1.363(5) . ?
N1 C9 1.405(5) . ?
N1 C13 1.466(5) . ?
N2 C1 1.363(5) . ?
N2 C10 1.408(5) . ?
N2 C22 1.432(5) . ?
C2 C13 1.542(6) . ?
C2 C17 1.564(7) . ?
C3 C4 1.423(6) . ?
C3 C8 1.397(6) . ?
C4 C5 1.386(6) . ?
C5 C6 1.413(7) . ?
C6 C7 1.386(7) . ?
C7 C8 1.416(6) . ?
C9 C10 1.348(6) . ?
C9 C11 1.472(6) . ?
C10 C12 1.477(6) . ?
C13 C14 1.530(7) . ?
C13 C20 1.515(7) . ?
C14 C15 1.572(8) . ?
C15 C16 1.522(7) . ?
C15 C21 1.489(8) . ?
C16 C17 1.517(8) . ?
C17 C18 1.500(8) . ?
C18 C19 1.517(8) . ?
C19 C20 1.549(7) . ?
C19 C21 1.507(8) . ?
C22 C23 1.391(6) . ?
C22 C27 1.391(6) . ?
C23 C24 1.384(6) . ?
C23 C30 1.496(6) . ?
C24 C25 1.392(6) . ?
C25 C26 1.365(7) . ?
C25 C29 1.511(6) . ?
C26 C27 1.391(6) . ?
C27 C28 1.499(6) . ?
C31 C32 1.398(7) . ?
C31 C36 1.390(6) . ?
C32 C33 1.374(7) . ?
C33 C34 1.365(8) . ?
C34 C35 1.376(8) . ?
C35 C36 1.379(7) . ?
C37 C38 1.391(6) . ?
C37 C42 1.371(6) . ?
C38 C39 1.366(7) . ?
C39 C40 1.362(8) . ?
C40 C41 1.374(7) . ?
C41 C42 1.391(7) . ?
C43 C44 1.467(10) . ?
C44 C45 1.517(8) . ?
C45 C46 1.509(9) . ?
C46 C47 1.521(9) . ?
C47 C48 1.499(10) . ?
C49 C50 1.474(9) . ?
C50 C51 1.494(8) . ?
C51 C51 1.483(11) 3_665 ?

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
C1 Co1 C2 80.31(19) . . ?
C1 Co1 C3 126.66(18) . . ?
C1 Co1 C4 105.63(18) . . ?
C1 Co1 C5 106.12(18) . . ?
C1 Co1 C6 127.53(18) . . ?
C1 Co1 C7 160.79(18) . . ?
C1 Co1 C8 159.91(17) . . ?
C2 Co1 C3 114.33(19) . . ?
C2 Co1 C4 150.96(18) . . ?
C2 Co1 C5 167.5(2) . . ?
C2 Co1 C6 128.6(2) . . ?
C2 Co1 C7 100.8(2) . . ?
C2 Co1 C8 94.81(19) . . ?
C4 Co1 C3 39.40(17) . . ?
C4 Co1 C5 38.55(17) . . ?
C4 Co1 C6 70.59(19) . . ?
C4 Co1 C7 82.86(18) . . ?
C4 Co1 C8 69.70(17) . . ?
C5 Co1 C3 70.79(17) . . ?
C5 Co1 C6 39.1(2) . . ?
C5 Co1 C8 82.62(18) . . ?
C6 Co1 C3 84.51(17) . . ?
C6 Co1 C8 70.47(17) . . ?
C7 Co1 C3 70.67(17) . . ?
C7 Co1 C5 69.6(2) . . ?
C7 Co1 C6 38.40(19) . . ?
C7 Co1 C8 39.20(17) . . ?
C8 Co1 C3 38.37(17) . . ?
C3 P1 C31 101.4(2) . . ?
C3 P1 C37 102.5(2) . . ?
C31 P1 C37 101.4(2) . . ?
C1 N1 C9 112.0(4) . . ?
C1 N1 C13 115.0(3) . . ?
C9 N1 C13 132.1(3) . . ?
C1 N2 C10 111.4(3) . . ?
C1 N2 C22 126.4(3) . . ?
C10 N2 C22 122.1(3) . . ?
N1 C1 Co1 119.3(3) . . ?
N1 C1 N2 103.7(3) . . ?
N2 C1 Co1 137.0(3) . . ?
C13 C2 Co1 110.8(3) . . ?
C13 C2 C17 107.8(4) . . ?
C17 C2 Co1 123.4(3) . . ?
P1 C3 Co1 130.0(2) . . ?
C4 C3 Co1 68.6(2) . . ?
C4 C3 P1 117.8(3) . . ?
C8 C3 Co1 70.3(2) . . ?
C8 C3 P1 125.2(3) . . ?
C8 C3 C4 116.9(4) . . ?
C3 C4 Co1 72.0(2) . . ?
C5 C4 Co1 71.7(3) . . ?
C5 C4 C3 122.1(4) . . ?
C4 C5 Co1 69.8(2) . . ?
C4 C5 C6 120.3(4) . . ?
C6 C5 Co1 70.5(3) . . ?
C5 C6 Co1 70.4(3) . . ?
C7 C6 Co1 70.4(3) . . ?
C7 C6 C5 118.4(4) . . ?
C6 C7 Co1 71.2(3) . . ?
C6 C7 C8 121.2(5) . . ?
C8 C7 Co1 71.0(3) . . ?
C3 C8 Co1 71.3(3) . . ?
C3 C8 C7 121.0(4) . . ?
C7 C8 Co1 69.8(3) . . ?
N1 C9 C11 125.5(4) . . ?
C10 C9 N1 106.0(4) . . ?
C10 C9 C11 128.5(4) . . ?
N2 C10 C12 121.6(4) . . ?
C9 C10 N2 106.8(4) . . ?
C9 C10 C12 131.6(4) . . ?
N1 C13 C2 102.7(3) . . ?
N1 C13 C14 114.7(3) . . ?
N1 C13 C20 108.2(4) . . ?
C14 C13 C2 109.4(4) . . ?
C20 C13 C2 112.3(4) . . ?
C20 C13 C14 109.5(4) . . ?
C13 C14 C15 108.4(4) . . ?
C16 C15 C14 107.7(4) . . ?
C21 C15 C14 106.0(4) . . ?
C21 C15 C16 111.6(5) . . ?
C17 C16 C15 111.5(4) . . ?
C16 C17 C2 106.6(4) . . ?
C18 C17 C2 109.0(5) . . ?
C18 C17 C16 110.7(4) . . ?
C17 C18 C19 112.3(4) . . ?
C18 C19 C20 107.6(4) . . ?
C21 C19 C18 111.0(5) . . ?
C21 C19 C20 106.6(4) . . ?
C13 C20 C19 108.9(4) . . ?
C15 C21 C19 112.8(5) . . ?
C23 C22 N2 119.0(4) . . ?
C23 C22 C27 122.4(4) . . ?
C27 C22 N2 118.5(4) . . ?
C22 C23 C30 121.3(4) . . ?
C24 C23 C22 117.2(4) . . ?
C24 C23 C30 121.5(4) . . ?
C23 C24 C25 121.8(4) . . ?
C24 C25 C29 120.2(4) . . ?
C26 C25 C24 119.3(4) . . ?
C26 C25 C29 120.5(4) . . ?
C25 C26 C27 121.3(4) . . ?
C22 C27 C26 118.0(4) . . ?
C22 C27 C28 121.1(4) . . ?
C26 C27 C28 120.9(4) . . ?
C32 C31 P1 118.0(4) . . ?
C36 C31 P1 124.3(4) . . ?
C36 C31 C32 117.7(4) . . ?
C33 C32 C31 120.7(5) . . ?
C34 C33 C32 121.1(5) . . ?
C33 C34 C35 119.2(5) . . ?
C34 C35 C36 120.6(5) . . ?
C35 C36 C31 120.8(5) . . ?
C38 C37 P1 117.3(4) . . ?
C42 C37 P1 124.6(4) . . ?
C42 C37 C38 118.1(4) . . ?
C39 C38 C37 120.7(5) . . ?
C40 C39 C38 121.2(5) . . ?
C39 C40 C41 119.2(5) . . ?
C40 C41 C42 120.0(5) . . ?
C37 C42 C41 120.8(5) . . ?
C43 C44 C45 112.8(6) . . ?
C46 C45 C44 114.1(6) . . ?
C45 C46 C47 114.2(5) . . ?
C48 C47 C46 113.7(6) . . ?
C49 C50 C51 113.4(6) . . ?
C51 C51 C50 115.3(6) 3_665 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 C2 C13 N1 -36.3(4) . . . . ?
Co1 C2 C13 C14 -158.5(3) . . . . ?
Co1 C2 C13 C20 79.7(4) . . . . ?
Co1 C2 C17 C16 166.2(3) . . . . ?
Co1 C2 C17 C18 -74.3(5) . . . . ?
Co1 C3 C4 C5 -53.6(4) . . . . ?
Co1 C3 C8 C7 51.0(4) . . . . ?
Co1 C4 C5 C6 -51.2(4) . . . . ?
Co1 C5 C6 C7 -53.3(4) . . . . ?
Co1 C6 C7 C8 -52.6(4) . . . . ?
Co1 C7 C8 C3 -51.7(4) . . . . ?
P1 C3 C4 Co1 -125.1(3) . . . . ?
P1 C3 C4 C5 -178.6(3) . . . . ?
P1 C3 C8 Co1 125.7(3) . . . . ?
P1 C3 C8 C7 176.7(3) . . . . ?
P1 C31 C32 C33 -179.4(4) . . . . ?
P1 C31 C36 C35 178.5(4) . . . . ?
P1 C37 C38 C39 179.4(5) . . . . ?
P1 C37 C42 C41 179.7(4) . . . . ?
N1 C9 C10 N2 0.2(5) . . . . ?
N1 C9 C10 C12 -177.7(5) . . . . ?
N1 C13 C14 C15 -176.4(4) . . . . ?
N1 C13 C20 C19 172.5(4) . . . . ?
N2 C22 C23 C24 -176.5(4) . . . . ?
N2 C22 C23 C30 4.2(6) . . . . ?
N2 C22 C27 C26 177.5(4) . . . . ?
N2 C22 C27 C28 -2.5(7) . . . . ?
C1 N1 C9 C10 -0.6(5) . . . . ?
C1 N1 C9 C11 -179.2(4) . . . . ?
C1 N1 C13 C2 29.2(4) . . . . ?
C1 N1 C13 C14 147.8(4) . . . . ?
C1 N1 C13 C20 -89.7(4) . . . . ?
C1 N2 C10 C9 0.2(5) . . . . ?
C1 N2 C10 C12 178.4(4) . . . . ?
C1 N2 C22 C23 -95.4(5) . . . . ?
C1 N2 C22 C27 86.9(5) . . . . ?
C2 Co1 C1 N1 -10.6(3) . . . . ?
C2 Co1 C1 N2 167.9(5) . . . . ?
C2 C13 C14 C15 -61.7(5) . . . . ?
C2 C13 C20 C19 59.9(5) . . . . ?
C2 C17 C18 C19 -61.6(6) . . . . ?
C3 Co1 C1 N1 -123.8(3) . . . . ?
C3 Co1 C1 N2 54.7(5) . . . . ?
C3 P1 C31 C32 -79.6(4) . . . . ?
C3 P1 C31 C36 102.4(4) . . . . ?
C3 P1 C37 C38 165.0(4) . . . . ?
C3 P1 C37 C42 -13.1(5) . . . . ?
C3 C4 C5 Co1 53.7(4) . . . . ?
C3 C4 C5 C6 2.5(7) . . . . ?
C4 Co1 C1 N1 -161.4(3) . . . . ?
C4 Co1 C1 N2 17.1(5) . . . . ?
C4 C3 C8 Co1 -52.0(3) . . . . ?
C4 C3 C8 C7 -0.9(6) . . . . ?
C4 C5 C6 Co1 50.9(4) . . . . ?
C4 C5 C6 C7 -2.4(7) . . . . ?
C5 Co1 C1 N1 158.5(3) . . . . ?
C5 Co1 C1 N2 -23.1(5) . . . . ?
C5 C6 C7 Co1 53.3(4) . . . . ?
C5 C6 C7 C8 0.7(7) . . . . ?
C6 Co1 C1 N1 121.3(3) . . . . ?
C6 Co1 C1 N2 -60.2(5) . . . . ?
C6 C7 C8 Co1 52.7(4) . . . . ?
C6 C7 C8 C3 1.0(7) . . . . ?
C7 Co1 C1 N1 84.4(7) . . . . ?
C7 Co1 C1 N2 -97.2(7) . . . . ?
C8 Co1 C1 N1 -87.9(6) . . . . ?
C8 Co1 C1 N2 90.6(7) . . . . ?
C8 C3 C4 Co1 52.8(3) . . . . ?
C8 C3 C4 C5 -0.8(6) . . . . ?
C9 N1 C1 Co1 179.6(3) . . . . ?
C9 N1 C1 N2 0.7(4) . . . . ?
C9 N1 C13 C2 -162.3(4) . . . . ?
C9 N1 C13 C14 -43.7(6) . . . . ?
C9 N1 C13 C20 78.8(5) . . . . ?
C10 N2 C1 Co1 -179.1(4) . . . . ?
C10 N2 C1 N1 -0.5(4) . . . . ?
C10 N2 C22 C23 89.8(5) . . . . ?
C10 N2 C22 C27 -87.9(5) . . . . ?
C11 C9 C10 N2 178.7(5) . . . . ?
C11 C9 C10 C12 0.8(8) . . . . ?
C13 N1 C1 Co1 -9.6(5) . . . . ?
C13 N1 C1 N2 171.5(3) . . . . ?
C13 N1 C9 C10 -169.4(4) . . . . ?
C13 N1 C9 C11 12.1(7) . . . . ?
C13 C2 C17 C16 -62.6(5) . . . . ?
C13 C2 C17 C18 56.9(5) . . . . ?
C13 C14 C15 C16 59.2(6) . . . . ?
C13 C14 C15 C21 -60.4(5) . . . . ?
C14 C13 C20 C19 -61.8(5) . . . . ?
C14 C15 C16 C17 -61.9(6) . . . . ?
C14 C15 C21 C19 63.5(6) . . . . ?
C15 C16 C17 C2 63.6(6) . . . . ?
C15 C16 C17 C18 -54.8(6) . . . . ?
C16 C15 C21 C19 -53.6(6) . . . . ?
C16 C17 C18 C19 55.3(6) . . . . ?
C17 C2 C13 N1 -174.1(4) . . . . ?
C17 C2 C13 C14 63.8(5) . . . . ?
C17 C2 C13 C20 -58.1(5) . . . . ?
C17 C18 C19 C20 62.0(6) . . . . ?
C17 C18 C19 C21 -54.3(6) . . . . ?
C18 C19 C20 C13 -59.0(5) . . . . ?
C18 C19 C21 C15 53.3(6) . . . . ?
C20 C13 C14 C15 61.8(5) . . . . ?
C20 C19 C21 C15 -63.6(6) . . . . ?
C21 C15 C16 C17 54.1(6) . . . . ?
C21 C19 C20 C13 60.2(5) . . . . ?
C22 N2 C1 Co1 5.6(7) . . . . ?
C22 N2 C1 N1 -175.8(4) . . . . ?
C22 N2 C10 C9 175.7(4) . . . . ?
C22 N2 C10 C12 -6.1(6) . . . . ?
C22 C23 C24 C25 -1.0(7) . . . . ?
C23 C22 C27 C26 0.0(7) . . . . ?
C23 C22 C27 C28 179.9(4) . . . . ?
C23 C24 C25 C26 0.0(7) . . . . ?
C23 C24 C25 C29 -179.5(4) . . . . ?
C24 C25 C26 C27 1.1(7) . . . . ?
C25 C26 C27 C22 -1.1(7) . . . . ?
C25 C26 C27 C28 178.9(5) . . . . ?
C27 C22 C23 C24 1.1(6) . . . . ?
C27 C22 C23 C30 -178.3(4) . . . . ?
C29 C25 C26 C27 -179.5(4) . . . . ?
C30 C23 C24 C25 178.3(4) . . . . ?
C31 P1 C3 Co1 89.2(3) . . . . ?
C31 P1 C3 C4 173.7(3) . . . . ?
C31 P1 C3 C8 -3.9(4) . . . . ?
C31 P1 C37 C38 -90.4(4) . . . . ?
C31 P1 C37 C42 91.5(4) . . . . ?
C31 C32 C33 C34 1.3(7) . . . . ?
C32 C31 C36 C35 0.5(7) . . . . ?
C32 C33 C34 C35 -0.6(8) . . . . ?
C33 C34 C35 C36 -0.2(8) . . . . ?
C34 C35 C36 C31 0.2(8) . . . . ?
C36 C31 C32 C33 -1.2(7) . . . . ?
C37 P1 C3 Co1 -166.3(3) . . . . ?
C37 P1 C3 C4 -81.7(4) . . . . ?
C37 P1 C3 C8 100.7(4) . . . . ?
C37 P1 C31 C32 175.0(3) . . . . ?
C37 P1 C31 C36 -3.0(4) . . . . ?
C37 C38 C39 C40 1.8(9) . . . . ?
C38 C37 C42 C41 1.7(7) . . . . ?
C38 C39 C40 C41 -0.5(9) . . . . ?
C39 C40 C41 C42 -0.2(8) . . . . ?
C40 C41 C42 C37 -0.4(7) . . . . ?
C42 C37 C38 C39 -2.3(8) . . . . ?
C43 C44 C45 C46 177.2(6) . . . . ?
C44 C45 C46 C47 -179.1(5) . . . . ?
C45 C46 C47 C48 -175.4(6) . . . . ?
C49 C50 C51 C51 -175.8(7) . . . 3_665 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6744(16)
2 0.3256(16)

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1896938'
loop_
_audit_author_name
_audit_author_address
'Xuebing Leng'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-02-13 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2015-01-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C29 H36 Co N2'
_chemical_formula_sum            'C29 H36 Co N2'
_chemical_formula_weight         471.53
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
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'
'-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                   20.7929(17)
_cell_length_b                   10.5688(8)
_cell_length_c                   22.0184(18)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4838.7(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5021
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.52
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0516 before and 0.0399 after correction.
The Ratio of minimum to maximum transmission is 0.9108.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            32796
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         1.850
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3810
_reflns_number_total             4651
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.713
_refine_diff_density_min         -1.607
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       0.00043(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         4651
_refine_ls_number_restraints     322
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0964
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.030
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+24.2685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1663
_refine_ls_wR_factor_ref         0.1748
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C21-C24 = C22-C26 = C23-C28 = C25-C26 = C26-C27 = C27-C28 = C28-C29 = C29-C24
 1.53 with sigma of 0.01
 C21'-C24' = C22'-C26' = C23'-C28' = C25'-C26' = C26'-C27'
 1.53 with sigma of 0.01
 C27'-C28' = C28'-C29' = C29'-C24'
 1.53 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C21 \\sim C21' \\sim C20' \\sim C22 \\sim C20 \\sim C22' \\sim C23 \\sim C27
\\sim C26 \\sim C25 \\sim C28' \\sim C24' \\sim C24 \\sim C29' \\sim C29 \\sim
C28 \\sim C27' \\sim C25': within 2A with sigma of 0.005 and sigma for terminal
atoms of 0.01
Uanis(C20') \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: C20(0.5) C23(0.5) H23A(0.5) H23B(0.5) C21(0.5) H21(0.5) C24(0.5)
 H24(0.5) C25(0.5) H25A(0.5) H25B(0.5) C26(0.5) H26(0.5) C22(0.5) H22A(0.5)
 H22B(0.5) C27(0.5) H27A(0.5) H27B(0.5) C28(0.5) H28(0.5) C29(0.5) H29A(0.5)
 H29B(0.5) C20'(0.5) C21'(0.5) H21'(0.5) C22'(0.5) H22C(0.5) H22D(0.5)
 C23'(0.5) H23C(0.5) H23D(0.5) C24'(0.5) H24'(0.5) C25'(0.5) H25C(0.5)
 H25D(0.5) C26'(0.5) H26'(0.5) C27'(0.5) H27C(0.5) H27D(0.5) C28'(0.5)
 H28'(0.5) C29'(0.5) H29C(0.5) H29D(0.5)
5.a Ternary CH refined with riding coordinates:
 C21(H21), C24(H24), C26(H26), C28(H28), C21'(H21'), C24'(H24'), C26'(H26'),
 C28'(H28')
5.b Secondary CH2 refined with riding coordinates:
 C23(H23A,H23B), C25(H25A,H25B), C22(H22A,H22B), C27(H27A,H27B), C29(H29A,
 H29B), C22'(H22C,H22D), C23'(H23C,H23D), C25'(H25C,H25D), C27'(H27C,H27D),
 C29'(H29C,H29D)
5.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C13(H13), C15(H15)
5.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.12634(5) -0.07805(7) 0.10161(4) 0.0627(4) Uani 1 1 d . . . . .
N3 N 0.1331(2) 0.1847(4) 0.08991(19) 0.0359(10) Uani 1 1 d . . . . .
N4 N 0.1201(2) 0.1493(4) 0.18462(18) 0.0315(9) Uani 1 1 d . . . . .
C1 C 0.1250(3) 0.0900(5) 0.1306(2) 0.0404(13) Uani 1 1 d . . . . .
C2 C 0.0746(3) -0.2462(5) 0.0905(4) 0.0577(18) Uani 1 1 d . . . . .
H2 H 0.0400 -0.2581 0.0643 0.069 Uiso 1 1 calc R . . . .
C3 C 0.1397(3) -0.2624(5) 0.0762(3) 0.0497(15) Uani 1 1 d . . . . .
H3 H 0.1560 -0.2843 0.0383 0.060 Uiso 1 1 calc R . . . .
C4 C 0.1765(3) -0.2399(6) 0.1288(3) 0.0595(18) Uani 1 1 d . . . . .
H4 H 0.2209 -0.2472 0.1320 0.071 Uiso 1 1 calc R . . . .
C5 C 0.1346(3) -0.2048(5) 0.1751(3) 0.0523(16) Uani 1 1 d . . . . .
H5 H 0.1460 -0.1826 0.2145 0.063 Uiso 1 1 calc R . . . .
C6 C 0.0712(3) -0.2091(6) 0.1511(3) 0.061(2) Uani 1 1 d . . . . .
H6 H 0.0338 -0.1903 0.1723 0.074 Uiso 1 1 calc R . . . .
C7 C 0.1263(3) 0.2801(5) 0.1772(2) 0.0371(12) Uani 1 1 d . . . . .
C8 C 0.1340(2) 0.3012(4) 0.1179(2) 0.0350(12) Uani 1 1 d . . . . .
C9 C 0.1245(3) 0.3665(5) 0.2309(3) 0.0540(16) Uani 1 1 d . . . . .
H9A H 0.0831 0.3610 0.2500 0.081 Uiso 1 1 calc GR . . . .
H9B H 0.1320 0.4518 0.2178 0.081 Uiso 1 1 calc GR . . . .
H9C H 0.1573 0.3420 0.2593 0.081 Uiso 1 1 calc GR . . . .
C10 C 0.1426(3) 0.4263(5) 0.0864(3) 0.0524(16) Uani 1 1 d . . . . .
H10A H 0.1845 0.4297 0.0681 0.079 Uiso 1 1 calc GR . . . .
H10B H 0.1384 0.4936 0.1154 0.079 Uiso 1 1 calc GR . . . .
H10C H 0.1103 0.4356 0.0555 0.079 Uiso 1 1 calc GR . . . .
C11 C 0.1058(2) 0.0900(5) 0.2416(2) 0.0312(11) Uani 1 1 d . . . . .
C12 C 0.1554(3) 0.0467(6) 0.2780(2) 0.0438(14) Uani 1 1 d . . . . .
C13 C 0.1396(3) -0.0101(6) 0.3329(2) 0.0499(15) Uani 1 1 d . . . . .
H13 H 0.1724 -0.0410 0.3575 0.060 Uiso 1 1 calc R . . . .
C14 C 0.0761(3) -0.0219(5) 0.3519(2) 0.0427(13) Uani 1 1 d . . . . .
C15 C 0.0283(3) 0.0243(5) 0.3139(2) 0.0361(12) Uani 1 1 d . . . . .
H15 H -0.0144 0.0174 0.3260 0.043 Uiso 1 1 calc R . . . .
C16 C 0.0424(2) 0.0805(5) 0.2584(2) 0.0321(11) Uani 1 1 d . . . . .
C17 C -0.0106(2) 0.1275(5) 0.2176(2) 0.0371(12) Uani 1 1 d . . . . .
H17A H -0.0038 0.2153 0.2086 0.056 Uiso 1 1 calc GR . . . .
H17B H -0.0513 0.1174 0.2377 0.056 Uiso 1 1 calc GR . . . .
H17C H -0.0106 0.0797 0.1805 0.056 Uiso 1 1 calc GR . . . .
C18 C 0.0595(4) -0.0810(7) 0.4124(3) 0.0625(19) Uani 1 1 d . . . . .
H18A H 0.0977 -0.1148 0.4307 0.094 Uiso 1 1 calc GR . . . .
H18B H 0.0289 -0.1479 0.4064 0.094 Uiso 1 1 calc GR . . . .
H18C H 0.0413 -0.0179 0.4386 0.094 Uiso 1 1 calc GR . . . .
C19 C 0.2251(3) 0.0588(8) 0.2579(3) 0.066(2) Uani 1 1 d . . . . .
H19A H 0.2309 0.0163 0.2198 0.100 Uiso 1 1 calc GR . . . .
H19B H 0.2526 0.0211 0.2879 0.100 Uiso 1 1 calc GR . . . .
H19C H 0.2359 0.1466 0.2534 0.100 Uiso 1 1 calc GR . . . .
C20 C 0.1388(16) 0.151(2) 0.0260(15) 0.0313(13) Uani 0.5 1 d . . P A 1
C23 C 0.1848(5) 0.2105(10) -0.0168(4) 0.0363(13) Uani 0.5 1 d D . P A 1
H23A H 0.2277 0.2067 0.0003 0.044 Uiso 0.5 1 calc R . P A 1
H23B H 0.1735 0.2989 -0.0221 0.044 Uiso 0.5 1 calc R . P A 1
C21 C 0.1683(5) -0.0028(9) 0.0320(4) 0.0324(12) Uani 0.5 1 d D . P A 1
H21 H 0.2140 0.0046 0.0425 0.039 Uiso 0.5 1 calc R . P A 1
C24 C 0.1654(5) -0.0656(10) -0.0307(4) 0.0345(13) Uani 0.5 1 d D . P A 1
H24 H 0.1814 -0.1525 -0.0274 0.041 Uiso 0.5 1 calc R . P A 1
C25 C 0.0976(5) -0.0682(9) -0.0547(5) 0.0350(13) Uani 0.5 1 d D . P A 1
H25A H 0.0702 -0.1155 -0.0272 0.042 Uiso 0.5 1 calc R . P A 1
H25B H 0.0968 -0.1096 -0.0941 0.042 Uiso 0.5 1 calc R . P A 1
C26 C 0.0731(5) 0.0676(8) -0.0607(4) 0.0339(12) Uani 0.5 1 d D . P A 1
H26 H 0.0290 0.0664 -0.0764 0.041 Uiso 0.5 1 calc R . P A 1
C22 C 0.0737(4) 0.1302(9) 0.0018(4) 0.0302(13) Uani 0.5 1 d D . P A 1
H22A H 0.0517 0.2109 -0.0008 0.036 Uiso 0.5 1 calc R . P A 1
H22B H 0.0499 0.0773 0.0300 0.036 Uiso 0.5 1 calc R . P A 1
C27 C 0.1159(4) 0.1420(12) -0.1045(5) 0.0387(15) Uani 0.5 1 d D . P A 1
H27A H 0.0999 0.2277 -0.1089 0.046 Uiso 0.5 1 calc R . P A 1
H27B H 0.1157 0.1022 -0.1442 0.046 Uiso 0.5 1 calc R . P A 1
C28 C 0.1845(5) 0.1442(9) -0.0788(4) 0.0396(14) Uani 0.5 1 d D . P A 1
H28 H 0.2124 0.1911 -0.1068 0.048 Uiso 0.5 1 calc R . P A 1
C29 C 0.2092(5) 0.0089(9) -0.0732(5) 0.0393(14) Uani 0.5 1 d D . P A 1
H29A H 0.2099 -0.0309 -0.1129 0.047 Uiso 0.5 1 calc R . P A 1
H29B H 0.2527 0.0094 -0.0573 0.047 Uiso 0.5 1 calc R . P A 1
C20' C 0.1412(16) 0.136(2) 0.0266(15) 0.0312(13) Uani 0.5 1 d . U P A 2
C21' C 0.1045(5) 0.0236(9) 0.0193(4) 0.0321(11) Uani 0.5 1 d D . P A 2
H21' H 0.0589 0.0466 0.0203 0.039 Uiso 0.5 1 calc R . P A 2
C22' C 0.1085(5) 0.2448(9) -0.0215(4) 0.0331(14) Uani 0.5 1 d D . P A 2
H22C H 0.0628 0.2548 -0.0139 0.040 Uiso 0.5 1 calc R . P A 2
H22D H 0.1294 0.3262 -0.0169 0.040 Uiso 0.5 1 calc R . P A 2
C23' C 0.2091(5) 0.1449(9) 0.0156(4) 0.032(2) Uani 0.5 1 d D . P A 2
H23C H 0.2326 0.0967 0.0458 0.038 Uiso 0.5 1 calc R . P A 2
H23D H 0.2228 0.2325 0.0179 0.038 Uiso 0.5 1 calc R . P A 2
C24' C 0.1198(4) -0.0286(10) -0.0444(4) 0.0341(12) Uani 0.5 1 d D . P A 2
H24' H 0.1005 -0.1127 -0.0486 0.041 Uiso 0.5 1 calc R . P A 2
C25' C 0.0907(5) 0.0582(9) -0.0906(5) 0.0363(14) Uani 0.5 1 d D . P A 2
H25C H 0.0446 0.0633 -0.0843 0.044 Uiso 0.5 1 calc R . P A 2
H25D H 0.0983 0.0249 -0.1310 0.044 Uiso 0.5 1 calc R . P A 2
C26' C 0.1203(5) 0.1904(8) -0.0854(4) 0.034(3) Uani 0.5 1 d D . P A 2
H26' H 0.1014 0.2465 -0.1160 0.040 Uiso 0.5 1 calc R . P A 2
C27' C 0.1930(4) 0.1828(11) -0.0942(5) 0.0398(14) Uani 0.5 1 d D . P A 2
H27C H 0.2024 0.1538 -0.1350 0.048 Uiso 0.5 1 calc R . P A 2
H27D H 0.2117 0.2662 -0.0891 0.048 Uiso 0.5 1 calc R . P A 2
C28' C 0.2223(5) 0.0917(8) -0.0481(4) 0.0384(14) Uani 0.5 1 d D . P A 2
H28' H 0.2688 0.0860 -0.0547 0.046 Uiso 0.5 1 calc R . P A 2
C29' C 0.1927(4) -0.0397(9) -0.0521(5) 0.0353(13) Uani 0.5 1 d D . P A 2
H29C H 0.2104 -0.0935 -0.0206 0.042 Uiso 0.5 1 calc R . P A 2
H29D H 0.2025 -0.0773 -0.0912 0.042 Uiso 0.5 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C1 1.888(5) . ?
Co1 C2 2.092(6) . ?
Co1 C3 2.046(6) . ?
Co1 C4 2.091(7) . ?
Co1 C5 2.107(6) . ?
Co1 C6 2.102(6) . ?
Co1 C21 1.934(9) . ?
Co1 C21' 2.155(9) . ?
N3 C1 1.354(6) . ?
N3 C8 1.377(6) . ?
N3 C20 1.46(3) . ?
N3 C20' 1.50(3) . ?
N4 C1 1.348(6) . ?
N4 C7 1.398(6) . ?
N4 C11 1.434(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.401(8) . ?
C2 C6 1.392(10) . ?
C3 H3 0.9300 . ?
C3 C4 1.408(9) . ?
C4 H4 0.9300 . ?
C4 C5 1.390(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.420(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.334(7) . ?
C7 C9 1.494(7) . ?
C8 C10 1.504(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.385(7) . ?
C11 C16 1.373(7) . ?
C12 C13 1.388(8) . ?
C12 C19 1.521(8) . ?
C13 H13 0.9300 . ?
C13 C14 1.391(8) . ?
C14 C15 1.388(7) . ?
C14 C18 1.512(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.391(7) . ?
C16 C17 1.506(7) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C23 1.48(3) . ?
C20 C21 1.74(2) . ?
C20 C22 1.47(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C28 1.535(9) . ?
C21 H21 0.9800 . ?
C21 C24 1.533(8) . ?
C24 H24 0.9800 . ?
C24 C25 1.506(14) . ?
C24 C29 1.524(8) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.530(9) . ?
C26 H26 0.9800 . ?
C26 C22 1.527(8) . ?
C26 C27 1.530(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.535(9) . ?
C28 H28 0.9800 . ?
C28 C29 1.525(9) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C20' C21' 1.42(3) . ?
C20' C22' 1.71(3) . ?
C20' C23' 1.44(3) . ?
C21' H21' 0.9800 . ?
C21' C24' 1.539(8) . ?
C22' H22C 0.9700 . ?
C22' H22D 0.9700 . ?
C22' C26' 1.538(8) . ?
C23' H23C 0.9700 . ?
C23' H23D 0.9700 . ?
C23' C28' 1.535(8) . ?
C24' H24' 0.9800 . ?
C24' C25' 1.498(14) . ?
C24' C29' 1.529(8) . ?
C25' H25C 0.9700 . ?
C25' H25D 0.9700 . ?
C25' C26' 1.530(8) . ?
C26' H26' 0.9800 . ?
C26' C27' 1.526(9) . ?
C27' H27C 0.9700 . ?
C27' H27D 0.9700 . ?
C27' C28' 1.526(8) . ?
C28' H28' 0.9800 . ?
C28' C29' 1.521(9) . ?
C29' H29C 0.9700 . ?
C29' H29D 0.9700 . ?

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
C1 Co1 C2 146.3(3) . . ?
C1 Co1 C3 172.1(3) . . ?
C1 Co1 C4 132.9(3) . . ?
C1 Co1 C5 109.9(2) . . ?
C1 Co1 C6 115.9(3) . . ?
C1 Co1 C21 83.5(3) . . ?
C1 Co1 C21' 79.2(3) . . ?
C2 Co1 C5 65.9(3) . . ?
C2 Co1 C6 38.8(3) . . ?
C2 Co1 C21' 102.5(3) . . ?
C3 Co1 C2 39.6(2) . . ?
C3 Co1 C4 39.8(2) . . ?
C3 Co1 C5 66.0(3) . . ?
C3 Co1 C6 65.7(3) . . ?
C3 Co1 C21' 105.8(3) . . ?
C4 Co1 C2 66.1(2) . . ?
C4 Co1 C5 38.7(2) . . ?
C4 Co1 C6 65.4(2) . . ?
C4 Co1 C21' 138.9(3) . . ?
C5 Co1 C21' 168.4(3) . . ?
C6 Co1 C5 39.4(2) . . ?
C6 Co1 C21' 130.5(3) . . ?
C21 Co1 C2 119.3(4) . . ?
C21 Co1 C3 96.5(3) . . ?
C21 Co1 C4 109.8(3) . . ?
C21 Co1 C5 146.4(3) . . ?
C21 Co1 C6 158.0(4) . . ?
C1 N3 C8 111.5(4) . . ?
C1 N3 C20 117.9(10) . . ?
C1 N3 C20' 112.0(9) . . ?
C8 N3 C20 130.6(10) . . ?
C8 N3 C20' 136.5(10) . . ?
C1 N4 C7 110.4(4) . . ?
C1 N4 C11 125.8(4) . . ?
C7 N4 C11 123.6(4) . . ?
N3 C1 Co1 118.1(4) . . ?
N4 C1 Co1 137.4(4) . . ?
N4 C1 N3 104.5(4) . . ?
Co1 C2 H2 125.8 . . ?
C3 C2 Co1 68.4(3) . . ?
C3 C2 H2 126.3 . . ?
C6 C2 Co1 71.0(4) . . ?
C6 C2 H2 126.3 . . ?
C6 C2 C3 107.4(6) . . ?
Co1 C3 H3 122.2 . . ?
C2 C3 Co1 72.0(3) . . ?
C2 C3 H3 125.7 . . ?
C2 C3 C4 108.6(6) . . ?
C4 C3 Co1 71.8(4) . . ?
C4 C3 H3 125.7 . . ?
Co1 C4 H4 125.8 . . ?
C3 C4 Co1 68.4(4) . . ?
C3 C4 H4 126.0 . . ?
C5 C4 Co1 71.3(4) . . ?
C5 C4 C3 108.0(6) . . ?
C5 C4 H4 126.0 . . ?
Co1 C5 H5 125.2 . . ?
C4 C5 Co1 70.0(4) . . ?
C4 C5 H5 126.3 . . ?
C4 C5 C6 107.4(6) . . ?
C6 C5 Co1 70.1(3) . . ?
C6 C5 H5 126.3 . . ?
Co1 C6 H6 125.2 . . ?
C2 C6 Co1 70.2(3) . . ?
C2 C6 C5 108.6(6) . . ?
C2 C6 H6 125.7 . . ?
C5 C6 Co1 70.5(3) . . ?
C5 C6 H6 125.7 . . ?
N4 C7 C9 120.7(5) . . ?
C8 C7 N4 106.9(4) . . ?
C8 C7 C9 132.4(5) . . ?
N3 C8 C10 125.5(5) . . ?
C7 C8 N3 106.7(4) . . ?
C7 C8 C10 127.8(5) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 N4 119.7(5) . . ?
C16 C11 N4 117.9(4) . . ?
C16 C11 C12 122.4(5) . . ?
C11 C12 C13 118.1(5) . . ?
C11 C12 C19 121.0(5) . . ?
C13 C12 C19 120.9(5) . . ?
C12 C13 H13 119.2 . . ?
C12 C13 C14 121.7(5) . . ?
C14 C13 H13 119.2 . . ?
C13 C14 C18 121.3(5) . . ?
C15 C14 C13 117.8(5) . . ?
C15 C14 C18 120.8(5) . . ?
C14 C15 H15 119.0 . . ?
C14 C15 C16 122.0(5) . . ?
C16 C15 H15 119.0 . . ?
C11 C16 C15 118.0(5) . . ?
C11 C16 C17 121.2(5) . . ?
C15 C16 C17 120.8(5) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C18 H18A 109.5 . . ?
C14 C18 H18B 109.5 . . ?
C14 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C19 H19A 109.5 . . ?
C12 C19 H19B 109.5 . . ?
C12 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C23 124(2) . . ?
N3 C20 C21 100.5(16) . . ?
N3 C20 C22 108(2) . . ?
C23 C20 C21 102.5(18) . . ?
C22 C20 C23 115(2) . . ?
C22 C20 C21 102.2(16) . . ?
C20 C23 H23A 109.3 . . ?
C20 C23 H23B 109.3 . . ?
C20 C23 C28 111.7(14) . . ?
H23A C23 H23B 107.9 . . ?
C28 C23 H23A 109.3 . . ?
C28 C23 H23B 109.3 . . ?
Co1 C21 H21 106.5 . . ?
C20 C21 Co1 106.6(12) . . ?
C20 C21 H21 106.5 . . ?
C24 C21 Co1 121.2(7) . . ?
C24 C21 C20 108.7(13) . . ?
C24 C21 H21 106.5 . . ?
C21 C24 H24 109.0 . . ?
C25 C24 C21 111.2(8) . . ?
C25 C24 H24 109.0 . . ?
C25 C24 C29 110.6(8) . . ?
C29 C24 C21 107.8(8) . . ?
C29 C24 H24 109.0 . . ?
C24 C25 H25A 109.9 . . ?
C24 C25 H25B 109.9 . . ?
C24 C25 C26 109.0(9) . . ?
H25A C25 H25B 108.3 . . ?
C26 C25 H25A 109.9 . . ?
C26 C25 H25B 109.9 . . ?
C25 C26 H26 109.3 . . ?
C25 C26 C27 110.0(9) . . ?
C22 C26 C25 109.0(8) . . ?
C22 C26 H26 109.3 . . ?
C22 C26 C27 109.9(8) . . ?
C27 C26 H26 109.3 . . ?
C20 C22 C26 113.5(15) . . ?
C20 C22 H22A 108.9 . . ?
C20 C22 H22B 108.9 . . ?
C26 C22 H22A 108.9 . . ?
C26 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C26 C27 H27A 110.0 . . ?
C26 C27 H27B 110.0 . . ?
C26 C27 C28 108.4(8) . . ?
H27A C27 H27B 108.4 . . ?
C28 C27 H27A 110.0 . . ?
C28 C27 H27B 110.0 . . ?
C23 C28 H28 109.0 . . ?
C27 C28 C23 109.8(9) . . ?
C27 C28 H28 109.0 . . ?
C29 C28 C23 110.8(8) . . ?
C29 C28 C27 109.2(9) . . ?
C29 C28 H28 109.0 . . ?
C24 C29 C28 109.5(8) . . ?
C24 C29 H29A 109.8 . . ?
C24 C29 H29B 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.2 . . ?
N3 C20' C22' 107.5(14) . . ?
C21' C20' N3 110(2) . . ?
C21' C20' C22' 106(2) . . ?
C21' C20' C23' 124.4(19) . . ?
C23' C20' N3 104(2) . . ?
C23' C20' C22' 104.0(18) . . ?
Co1 C21' H21' 108.0 . . ?
C20' C21' Co1 102.0(13) . . ?
C20' C21' H21' 108.0 . . ?
C20' C21' C24' 107.0(15) . . ?
C24' C21' Co1 123.0(7) . . ?
C24' C21' H21' 108.0 . . ?
C20' C22' H22C 110.9 . . ?
C20' C22' H22D 110.8 . . ?
H22C C22' H22D 108.9 . . ?
C26' C22' C20' 104.6(12) . . ?
C26' C22' H22C 110.8 . . ?
C26' C22' H22D 110.8 . . ?
C20' C23' H23C 110.1 . . ?
C20' C23' H23D 110.1 . . ?
C20' C23' C28' 107.8(15) . . ?
H23C C23' H23D 108.5 . . ?
C28' C23' H23C 110.2 . . ?
C28' C23' H23D 110.2 . . ?
C21' C24' H24' 109.0 . . ?
C25' C24' C21' 108.4(8) . . ?
C25' C24' H24' 109.0 . . ?
C25' C24' C29' 111.8(8) . . ?
C29' C24' C21' 109.5(8) . . ?
C29' C24' H24' 109.0 . . ?
C24' C25' H25C 109.6 . . ?
C24' C25' H25D 109.6 . . ?
C24' C25' C26' 110.2(8) . . ?
H25C C25' H25D 108.1 . . ?
C26' C25' H25C 109.6 . . ?
C26' C25' H25D 109.6 . . ?
C22' C26' H26' 109.9 . . ?
C25' C26' C22' 110.2(8) . . ?
C25' C26' H26' 109.9 . . ?
C27' C26' C22' 107.1(8) . . ?
C27' C26' C25' 109.8(8) . . ?
C27' C26' H26' 109.9 . . ?
C26' C27' H27C 109.6 . . ?
C26' C27' H27D 109.6 . . ?
H27C C27' H27D 108.2 . . ?
C28' C27' C26' 110.1(8) . . ?
C28' C27' H27C 109.6 . . ?
C28' C27' H27D 109.6 . . ?
C23' C28' H28' 109.5 . . ?
C27' C28' C23' 107.8(8) . . ?
C27' C28' H28' 109.5 . . ?
C29' C28' C23' 108.4(8) . . ?
C29' C28' C27' 112.1(9) . . ?
C29' C28' H28' 109.5 . . ?
C24' C29' H29C 109.9 . . ?
C24' C29' H29D 109.9 . . ?
C28' C29' C24' 108.9(8) . . ?
C28' C29' H29C 109.9 . . ?
C28' C29' H29D 109.9 . . ?
H29C C29' H29D 108.3 . . ?

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
Co1 C2 C3 C4 62.9(4) . . . . ?
Co1 C2 C6 C5 -60.3(4) . . . . ?
Co1 C3 C4 C5 60.6(5) . . . . ?
Co1 C4 C5 C6 60.4(4) . . . . ?
Co1 C5 C6 C2 60.1(4) . . . . ?
Co1 C21 C24 C25 64.9(10) . . . . ?
Co1 C21 C24 C29 -173.7(7) . . . . ?
Co1 C21' C24' C25' 172.8(7) . . . . ?
Co1 C21' C24' C29' -65.0(10) . . . . ?
N3 C20 C23 C28 173.4(15) . . . . ?
N3 C20 C21 Co1 36.9(19) . . . . ?
N3 C20 C21 C24 169.1(13) . . . . ?
N3 C20 C22 C26 -167.9(10) . . . . ?
N3 C20' C21' Co1 -44.5(17) . . . . ?
N3 C20' C21' C24' -174.8(13) . . . . ?
N3 C20' C22' C26' 178.3(15) . . . . ?
N3 C20' C23' C28' 178.0(10) . . . . ?
N4 C7 C8 N3 -0.5(6) . . . . ?
N4 C7 C8 C10 179.9(5) . . . . ?
N4 C11 C12 C13 179.9(5) . . . . ?
N4 C11 C12 C19 -1.1(8) . . . . ?
N4 C11 C16 C15 -179.3(4) . . . . ?
N4 C11 C16 C17 1.6(7) . . . . ?
C1 N3 C8 C7 0.0(6) . . . . ?
C1 N3 C8 C10 179.5(5) . . . . ?
C1 N3 C20 C23 -138.9(15) . . . . ?
C1 N3 C20 C21 -26(2) . . . . ?
C1 N3 C20 C22 80.9(14) . . . . ?
C1 N3 C20' C21' 33(2) . . . . ?
C1 N3 C20' C22' 147.7(12) . . . . ?
C1 N3 C20' C23' -102.4(13) . . . . ?
C1 N4 C7 C8 0.9(6) . . . . ?
C1 N4 C7 C9 -178.2(5) . . . . ?
C1 N4 C11 C12 90.9(7) . . . . ?
C1 N4 C11 C16 -90.2(6) . . . . ?
C2 Co1 C1 N3 -117.1(5) . . . . ?
C2 Co1 C1 N4 65.9(9) . . . . ?
C2 C3 C4 Co1 -63.0(4) . . . . ?
C2 C3 C4 C5 -2.4(7) . . . . ?
C3 C2 C6 Co1 59.0(4) . . . . ?
C3 C2 C6 C5 -1.3(7) . . . . ?
C3 C4 C5 Co1 -58.8(5) . . . . ?
C3 C4 C5 C6 1.6(7) . . . . ?
C4 Co1 C1 N3 129.6(5) . . . . ?
C4 Co1 C1 N4 -47.3(8) . . . . ?
C4 C5 C6 Co1 -60.3(4) . . . . ?
C4 C5 C6 C2 -0.2(7) . . . . ?
C5 Co1 C1 N3 166.8(4) . . . . ?
C5 Co1 C1 N4 -10.2(7) . . . . ?
C6 Co1 C1 N3 -150.7(4) . . . . ?
C6 Co1 C1 N4 32.3(8) . . . . ?
C6 C2 C3 Co1 -60.6(4) . . . . ?
C6 C2 C3 C4 2.2(7) . . . . ?
C7 N4 C1 Co1 176.3(5) . . . . ?
C7 N4 C1 N3 -0.9(6) . . . . ?
C7 N4 C11 C12 -94.2(6) . . . . ?
C7 N4 C11 C16 84.8(6) . . . . ?
C8 N3 C1 Co1 -177.3(4) . . . . ?
C8 N3 C1 N4 0.6(6) . . . . ?
C8 N3 C20 C23 42(3) . . . . ?
C8 N3 C20 C21 154.9(7) . . . . ?
C8 N3 C20 C22 -98.3(17) . . . . ?
C8 N3 C20' C21' -150.0(9) . . . . ?
C8 N3 C20' C22' -35(3) . . . . ?
C8 N3 C20' C23' 74.9(19) . . . . ?
C9 C7 C8 N3 178.4(6) . . . . ?
C9 C7 C8 C10 -1.1(10) . . . . ?
C11 N4 C1 Co1 -8.2(10) . . . . ?
C11 N4 C1 N3 174.5(5) . . . . ?
C11 N4 C7 C8 -174.6(5) . . . . ?
C11 N4 C7 C9 6.3(8) . . . . ?
C11 C12 C13 C14 -1.1(9) . . . . ?
C12 C11 C16 C15 -0.4(8) . . . . ?
C12 C11 C16 C17 -179.4(5) . . . . ?
C12 C13 C14 C15 0.5(9) . . . . ?
C12 C13 C14 C18 -178.5(6) . . . . ?
C13 C14 C15 C16 0.2(8) . . . . ?
C14 C15 C16 C11 -0.2(8) . . . . ?
C14 C15 C16 C17 178.8(5) . . . . ?
C16 C11 C12 C13 1.0(8) . . . . ?
C16 C11 C12 C19 180.0(6) . . . . ?
C18 C14 C15 C16 179.2(5) . . . . ?
C19 C12 C13 C14 180.0(6) . . . . ?
C20 N3 C1 Co1 3.3(16) . . . . ?
C20 N3 C1 N4 -178.8(15) . . . . ?
C20 N3 C8 C7 179.3(17) . . . . ?
C20 N3 C8 C10 -1.2(19) . . . . ?
C20 N3 C20' C21' -126(24) . . . . ?
C20 N3 C20' C22' -11(22) . . . . ?
C20 N3 C20' C23' 99(23) . . . . ?
C20 C23 C28 C27 55.4(15) . . . . ?
C20 C23 C28 C29 -65.3(15) . . . . ?
C20 C21 C24 C25 -59.0(14) . . . . ?
C20 C21 C24 C29 62.5(15) . . . . ?
C23 C20 C21 Co1 165.8(14) . . . . ?
C23 C20 C21 C24 -62.1(19) . . . . ?
C23 C20 C22 C26 48.0(19) . . . . ?
C23 C28 C29 C24 61.1(11) . . . . ?
C21 Co1 C1 N3 18.6(5) . . . . ?
C21 Co1 C1 N4 -158.4(7) . . . . ?
C21 C20 C23 C28 61.3(19) . . . . ?
C21 C20 C22 C26 -62.3(18) . . . . ?
C21 C24 C25 C26 60.6(10) . . . . ?
C21 C24 C29 C28 -62.0(11) . . . . ?
C24 C25 C26 C22 -60.6(10) . . . . ?
C24 C25 C26 C27 60.0(11) . . . . ?
C25 C24 C29 C28 59.8(11) . . . . ?
C25 C26 C22 C20 67.8(13) . . . . ?
C25 C26 C27 C28 -60.7(12) . . . . ?
C26 C27 C28 C23 -61.1(11) . . . . ?
C26 C27 C28 C29 60.5(11) . . . . ?
C22 C20 C23 C28 -48.9(19) . . . . ?
C22 C20 C21 Co1 -74.5(18) . . . . ?
C22 C20 C21 C24 58(2) . . . . ?
C22 C26 C27 C28 59.4(11) . . . . ?
C27 C26 C22 C20 -52.9(14) . . . . ?
C27 C28 C29 C24 -59.9(11) . . . . ?
C29 C24 C25 C26 -59.2(11) . . . . ?
C20' N3 C1 Co1 0.7(15) . . . . ?
C20' N3 C1 N4 178.6(14) . . . . ?
C20' N3 C8 C7 -177.3(18) . . . . ?
C20' N3 C8 C10 2(2) . . . . ?
C20' N3 C20 C23 -117(24) . . . . ?
C20' N3 C20 C21 -4(22) . . . . ?
C20' N3 C20 C22 103(23) . . . . ?
C20' C21' C24' C25' -70.0(15) . . . . ?
C20' C21' C24' C29' 52.2(15) . . . . ?
C20' C22' C26' C25' 56.8(14) . . . . ?
C20' C22' C26' C27' -62.6(14) . . . . ?
C20' C23' C28' C27' 68.6(13) . . . . ?
C20' C23' C28' C29' -52.9(13) . . . . ?
C21' Co1 C1 N3 -20.8(5) . . . . ?
C21' Co1 C1 N4 162.3(7) . . . . ?
C21' C20' C22' C26' -64(2) . . . . ?
C21' C20' C23' C28' 52(3) . . . . ?
C21' C24' C25' C26' 61.7(11) . . . . ?
C21' C24' C29' C28' -63.0(11) . . . . ?
C22' C20' C21' Co1 -160.4(13) . . . . ?
C22' C20' C21' C24' 69.4(18) . . . . ?
C22' C20' C23' C28' -69.5(16) . . . . ?
C22' C26' C27' C28' 62.8(11) . . . . ?
C23' C20' C21' Co1 79(3) . . . . ?
C23' C20' C21' C24' -51(3) . . . . ?
C23' C20' C22' C26' 68.3(18) . . . . ?
C23' C28' C29' C24' 62.9(10) . . . . ?
C24' C25' C26' C22' -59.4(11) . . . . ?
C24' C25' C26' C27' 58.4(11) . . . . ?
C25' C24' C29' C28' 57.2(11) . . . . ?
C25' C26' C27' C28' -56.9(12) . . . . ?
C26' C27' C28' C23' -62.2(11) . . . . ?
C26' C27' C28' C29' 57.0(12) . . . . ?
C27' C28' C29' C24' -55.9(11) . . . . ?
C29' C24' C25' C26' -59.1(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

#===end

####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 1896937'
loop_
_audit_author_name
_audit_author_address
'Xuebing Leng'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-02-13 deposited with the CCDC.	2019-03-18 downloaded from the CCDC.
;
_audit_creation_date             2014-12-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C46 H57 Co N2 P Si'
_chemical_formula_sum            'C46 H57 Co N2 P Si'
_chemical_formula_weight         755.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7137(14)
_cell_length_b                   11.7791(13)
_cell_length_c                   17.1943(19)
_cell_angle_alpha                73.315(2)
_cell_angle_beta                 81.611(2)
_cell_angle_gamma                62.113(2)
_cell_volume                     2008.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4043
_cell_measurement_temperature    130
_cell_measurement_theta_max      30.23
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.836
_exptl_absorpt_coefficient_mu    0.531
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0803 before and 0.0382 after correction.
The Ratio of minimum to maximum transmission is 0.8519.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             806
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0837
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20401
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.699
_diffrn_reflns_theta_min         1.236
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8244
_reflns_number_total             12275
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         1.061
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.897
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     467
_refine_ls_number_reflns         12275
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0991
_refine_ls_R_factor_gt           0.0569
_refine_ls_restrained_S_all      0.897
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1338
_refine_ls_wR_factor_ref         0.1602
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C18(H18), C20(H20), C23(H23)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C17(H17A,H17B), C19(H19A,H19B), C21(H21A,H21B),
 C22(H22A,H22B), C24(H24A,H24B), C25(H25A,H25B)
2.c Aromatic/amide H refined with riding coordinates:
 C10(H10), C12(H12), C30(H30), C31(H31), C32(H32), C33(H33), C34(H34),
 C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C42(H42), C43(H43), C44(H44),
  C45(H45), C46(H46)
2.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C),
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.38682(3) 0.79368(3) 0.75669(2) 0.01578(9) Uani 1 1 d . . . . .
P1 P 0.21928(6) 0.88020(6) 0.67662(4) 0.01711(13) Uani 1 1 d . . . . .
Si1 Si 0.40493(7) 1.04152(7) 0.80562(4) 0.02214(15) Uani 1 1 d . . . . .
N1 N 0.49431(18) 0.52102(18) 0.76902(11) 0.0164(4) Uani 1 1 d . . . . .
N2 N 0.36128(19) 0.54861(18) 0.87069(11) 0.0173(4) Uani 1 1 d . . . . .
C1 C 0.3986(2) 0.6177(2) 0.80217(13) 0.0157(4) Uani 1 1 d . . . . .
C2 C 0.5763(2) 0.6968(2) 0.78725(14) 0.0198(5) Uani 1 1 d . . . . .
H2A H 0.6129 0.7567 0.7888 0.024 Uiso 1 1 calc R . . . .
H2B H 0.5950 0.6253 0.8380 0.024 Uiso 1 1 calc R . . . .
C3 C 0.4014(2) 0.9658(2) 0.72569(14) 0.0196(5) Uani 1 1 d . . . . .
H3A H 0.4811 0.9513 0.6924 0.023 Uiso 1 1 calc R . . . .
H3B H 0.3279 1.0326 0.6900 0.023 Uiso 1 1 calc R . . . .
C4 C 0.5230(2) 0.3944(2) 0.81773(13) 0.0175(4) Uani 1 1 d . . . . .
C5 C 0.4382(2) 0.4100(2) 0.88085(14) 0.0194(5) Uani 1 1 d . . . . .
C6 C 0.6310(2) 0.2724(2) 0.79882(16) 0.0244(5) Uani 1 1 d . . . . .
H6A H 0.6013 0.2438 0.7609 0.037 Uiso 1 1 calc GR . . . .
H6B H 0.6597 0.2018 0.8490 0.037 Uiso 1 1 calc GR . . . .
H6C H 0.7031 0.2914 0.7741 0.037 Uiso 1 1 calc GR . . . .
C7 C 0.4305(3) 0.3008(2) 0.94832(16) 0.0294(6) Uani 1 1 d . . . . .
H7A H 0.4610 0.3006 0.9985 0.044 Uiso 1 1 calc GR . . . .
H7B H 0.4847 0.2155 0.9348 0.044 Uiso 1 1 calc GR . . . .
H7C H 0.3407 0.3147 0.9559 0.044 Uiso 1 1 calc GR . . . .
C8 C 0.5666(2) 0.5611(2) 0.70236(13) 0.0170(4) Uani 1 1 d . . . . .
C9 C 0.6118(2) 0.6479(2) 0.71335(14) 0.0179(4) Uani 1 1 d . . . . .
C10 C 0.6783(2) 0.6934(2) 0.64735(16) 0.0231(5) Uani 1 1 d . . . . .
H10 H 0.7098 0.7521 0.6523 0.028 Uiso 1 1 calc R . . . .
C11 C 0.6997(2) 0.6560(2) 0.57516(16) 0.0270(6) Uani 1 1 d . . . . .
C12 C 0.6493(2) 0.5750(2) 0.56668(15) 0.0250(5) Uani 1 1 d . . . . .
H12 H 0.6619 0.5511 0.5167 0.030 Uiso 1 1 calc R . . . .
C13 C 0.5805(2) 0.5272(2) 0.62941(14) 0.0210(5) Uani 1 1 d . . . . .
C14 C 0.5182(3) 0.4489(3) 0.61463(16) 0.0294(6) Uani 1 1 d . . . . .
H14A H 0.4718 0.4254 0.6639 0.044 Uiso 1 1 calc GR . . . .
H14B H 0.5848 0.3678 0.6006 0.044 Uiso 1 1 calc GR . . . .
H14C H 0.4573 0.5026 0.5698 0.044 Uiso 1 1 calc GR . . . .
C15 C 0.7771(3) 0.7018(3) 0.5074(2) 0.0424(8) Uani 1 1 d . . . . .
H15A H 0.7672 0.7882 0.5096 0.064 Uiso 1 1 calc GR . . . .
H15B H 0.7461 0.7101 0.4551 0.064 Uiso 1 1 calc GR . . . .
H15C H 0.8685 0.6371 0.5132 0.064 Uiso 1 1 calc GR . . . .
C16 C 0.2551(2) 0.6143(2) 0.92526(14) 0.0190(5) Uani 1 1 d . . . . .
C17 C 0.1420(3) 0.5837(3) 0.92301(17) 0.0289(6) Uani 1 1 d . . . . .
H17A H 0.1711 0.4867 0.9413 0.035 Uiso 1 1 calc R . . . .
H17B H 0.1105 0.6147 0.8668 0.035 Uiso 1 1 calc R . . . .
C18 C 0.0323(3) 0.6540(3) 0.97895(18) 0.0356(7) Uani 1 1 d . . . . .
H18 H -0.0407 0.6328 0.9780 0.043 Uiso 1 1 calc R . . . .
C19 C -0.0153(3) 0.8030(3) 0.94983(19) 0.0401(7) Uani 1 1 d . . . . .
H19A H -0.0869 0.8482 0.9854 0.048 Uiso 1 1 calc R . . . .
H19B H -0.0481 0.8350 0.8938 0.048 Uiso 1 1 calc R . . . .
C20 C 0.0961(3) 0.8347(3) 0.95178(16) 0.0308(6) Uani 1 1 d . . . . .
H20 H 0.0657 0.9327 0.9318 0.037 Uiso 1 1 calc R . . . .
C21 C 0.2057(3) 0.7642(2) 0.89627(15) 0.0251(5) Uani 1 1 d . . . . .
H21A H 0.1741 0.7954 0.8401 0.030 Uiso 1 1 calc R . . . .
H21B H 0.2774 0.7866 0.8960 0.030 Uiso 1 1 calc R . . . .
C22 C 0.1447(3) 0.7885(3) 1.03808(16) 0.0323(6) Uani 1 1 d . . . . .
H22A H 0.0741 0.8342 1.0740 0.039 Uiso 1 1 calc R . . . .
H22B H 0.2163 0.8103 1.0393 0.039 Uiso 1 1 calc R . . . .
C23 C 0.1917(3) 0.6391(3) 1.06789(15) 0.0309(6) Uani 1 1 d . . . . .
H23 H 0.2231 0.6082 1.1248 0.037 Uiso 1 1 calc R . . . .
C24 C 0.0817(3) 0.6048(3) 1.06583(17) 0.0377(7) Uani 1 1 d . . . . .
H24A H 0.0106 0.6473 1.1025 0.045 Uiso 1 1 calc R . . . .
H24B H 0.1130 0.5076 1.0847 0.045 Uiso 1 1 calc R . . . .
C25 C 0.3031(3) 0.5694(2) 1.01245(14) 0.0258(5) Uani 1 1 d . . . . .
H25A H 0.3747 0.5913 1.0134 0.031 Uiso 1 1 calc R . . . .
H25B H 0.3361 0.4720 1.0325 0.031 Uiso 1 1 calc R . . . .
C26 C 0.3021(3) 1.0268(4) 0.89855(19) 0.0430(8) Uani 1 1 d . . . . .
H26A H 0.2120 1.0649 0.8827 0.065 Uiso 1 1 calc GR . . . .
H26B H 0.3085 1.0747 0.9345 0.065 Uiso 1 1 calc GR . . . .
H26C H 0.3319 0.9330 0.9271 0.065 Uiso 1 1 calc GR . . . .
C27 C 0.3454(3) 1.2242(3) 0.7605(2) 0.0368(7) Uani 1 1 d . . . . .
H27A H 0.4003 1.2389 0.7138 0.055 Uiso 1 1 calc GR . . . .
H27B H 0.3486 1.2659 0.8013 0.055 Uiso 1 1 calc GR . . . .
H27C H 0.2562 1.2632 0.7426 0.055 Uiso 1 1 calc GR . . . .
C28 C 0.5710(3) 0.9700(3) 0.84723(17) 0.0292(6) Uani 1 1 d . . . . .
H28A H 0.6007 0.8754 0.8735 0.044 Uiso 1 1 calc GR . . . .
H28B H 0.5682 1.0164 0.8871 0.044 Uiso 1 1 calc GR . . . .
H28C H 0.6307 0.9810 0.8028 0.044 Uiso 1 1 calc GR . . . .
C29 C 0.0993(2) 1.0527(2) 0.67086(14) 0.0195(5) Uani 1 1 d . . . . .
C30 C 0.0365(2) 1.1426(2) 0.59962(15) 0.0239(5) Uani 1 1 d . . . . .
H30 H 0.0536 1.1146 0.5508 0.029 Uiso 1 1 calc R . . . .
C31 C -0.0508(3) 1.2727(3) 0.59986(17) 0.0289(6) Uani 1 1 d . . . . .
H31 H -0.0937 1.3328 0.5513 0.035 Uiso 1 1 calc R . . . .
C32 C -0.0755(3) 1.3152(3) 0.66973(17) 0.0304(6) Uani 1 1 d . . . . .
H32 H -0.1352 1.4043 0.6694 0.037 Uiso 1 1 calc R . . . .
C33 C -0.0133(3) 1.2279(3) 0.74030(18) 0.0332(6) Uani 1 1 d . . . . .
H33 H -0.0293 1.2571 0.7886 0.040 Uiso 1 1 calc R . . . .
C34 C 0.0730(3) 1.0972(3) 0.74066(16) 0.0286(6) Uani 1 1 d . . . . .
H34 H 0.1146 1.0374 0.7897 0.034 Uiso 1 1 calc R . . . .
C35 C 0.2706(2) 0.8852(2) 0.57033(14) 0.0192(5) Uani 1 1 d . . . . .
C36 C 0.2001(3) 0.8801(3) 0.51368(15) 0.0272(5) Uani 1 1 d . . . . .
H36 H 0.1241 0.8693 0.5303 0.033 Uiso 1 1 calc R . . . .
C37 C 0.2408(3) 0.8908(3) 0.43337(16) 0.0327(6) Uani 1 1 d . . . . .
H37 H 0.1923 0.8873 0.3951 0.039 Uiso 1 1 calc R . . . .
C38 C 0.3506(3) 0.9063(3) 0.40850(16) 0.0296(6) Uani 1 1 d . . . . .
H38 H 0.3772 0.9147 0.3531 0.035 Uiso 1 1 calc R . . . .
C39 C 0.4224(3) 0.9098(3) 0.46400(16) 0.0275(5) Uani 1 1 d . . . . .
H39 H 0.4985 0.9203 0.4469 0.033 Uiso 1 1 calc R . . . .
C40 C 0.3827(2) 0.8978(2) 0.54491(15) 0.0234(5) Uani 1 1 d . . . . .
H40 H 0.4332 0.8983 0.5832 0.028 Uiso 1 1 calc R . . . .
C41 C 0.1183(2) 0.7951(2) 0.69079(14) 0.0205(5) Uani 1 1 d . . . . .
C42 C 0.1774(3) 0.6653(3) 0.68069(17) 0.0273(5) Uani 1 1 d . . . . .
H42 H 0.2660 0.6264 0.6653 0.033 Uiso 1 1 calc R . . . .
C43 C 0.1082(3) 0.5936(3) 0.6928(2) 0.0355(7) Uani 1 1 d . . . . .
H43 H 0.1489 0.5069 0.6842 0.043 Uiso 1 1 calc R . . . .
C44 C -0.0200(3) 0.6472(3) 0.7174(2) 0.0399(7) Uani 1 1 d . . . . .
H44 H -0.0669 0.5970 0.7263 0.048 Uiso 1 1 calc R . . . .
C45 C -0.0791(3) 0.7730(3) 0.7289(2) 0.0375(7) Uani 1 1 d . . . . .
H45 H -0.1670 0.8097 0.7461 0.045 Uiso 1 1 calc R . . . .
C46 C -0.0107(3) 0.8472(3) 0.71546(17) 0.0277(5) Uani 1 1 d . . . . .
H46 H -0.0527 0.9344 0.7232 0.033 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P1 2.2129(7) . ?
Co1 C1 1.939(2) . ?
Co1 C2 2.032(2) . ?
Co1 C3 2.025(2) . ?
P1 C29 1.835(2) . ?
P1 C35 1.832(2) . ?
P1 C41 1.829(3) . ?
Si1 C3 1.855(2) . ?
Si1 C26 1.873(3) . ?
Si1 C27 1.875(3) . ?
Si1 C28 1.880(3) . ?
N1 C1 1.368(3) . ?
N1 C4 1.391(3) . ?
N1 C8 1.426(3) . ?
N2 C1 1.369(3) . ?
N2 C5 1.419(3) . ?
N2 C16 1.484(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C9 1.470(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.352(3) . ?
C4 C6 1.489(3) . ?
C5 C7 1.493(3) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.416(3) . ?
C8 C13 1.388(3) . ?
C9 C10 1.402(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.385(4) . ?
C11 C12 1.383(4) . ?
C11 C15 1.503(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.397(4) . ?
C13 C14 1.505(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.536(4) . ?
C16 C21 1.525(3) . ?
C16 C25 1.535(3) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.537(4) . ?
C18 H18 1.0000 . ?
C18 C19 1.518(4) . ?
C18 C24 1.531(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.523(5) . ?
C20 H20 1.0000 . ?
C20 C21 1.533(3) . ?
C20 C22 1.521(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.523(4) . ?
C23 H23 1.0000 . ?
C23 C24 1.527(4) . ?
C23 C25 1.540(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.397(3) . ?
C29 C34 1.383(3) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.373(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.390(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.396(3) . ?
C35 C40 1.384(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.383(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.373(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.381(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.406(3) . ?
C41 C46 1.391(3) . ?
C42 H42 0.9500 . ?
C42 C43 1.379(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(4) . ?
C44 H44 0.9500 . ?
C44 C45 1.372(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.395(4) . ?
C46 H46 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
C1 Co1 P1 99.32(7) . . ?
C1 Co1 C2 81.94(10) . . ?
C1 Co1 C3 168.61(9) . . ?
C2 Co1 P1 156.60(7) . . ?
C3 Co1 P1 91.96(7) . . ?
C3 Co1 C2 88.34(10) . . ?
C29 P1 Co1 118.06(8) . . ?
C35 P1 Co1 111.31(8) . . ?
C35 P1 C29 102.25(10) . . ?
C41 P1 Co1 118.88(8) . . ?
C41 P1 C29 102.46(11) . . ?
C41 P1 C35 101.41(11) . . ?
C3 Si1 C26 117.31(13) . . ?
C3 Si1 C27 108.09(12) . . ?
C3 Si1 C28 112.84(11) . . ?
C26 Si1 C27 105.36(15) . . ?
C26 Si1 C28 103.67(14) . . ?
C27 Si1 C28 109.13(14) . . ?
C1 N1 C4 112.10(19) . . ?
C1 N1 C8 117.51(19) . . ?
C4 N1 C8 128.87(18) . . ?
C1 N2 C5 110.54(19) . . ?
C1 N2 C16 122.92(19) . . ?
C5 N2 C16 126.54(19) . . ?
N1 C1 Co1 114.72(16) . . ?
N1 C1 N2 103.98(19) . . ?
N2 C1 Co1 139.19(16) . . ?
Co1 C2 H2A 113.5 . . ?
Co1 C2 H2B 113.5 . . ?
H2A C2 H2B 110.8 . . ?
C9 C2 Co1 90.83(14) . . ?
C9 C2 H2A 113.5 . . ?
C9 C2 H2B 113.5 . . ?
Co1 C3 H3A 107.3 . . ?
Co1 C3 H3B 107.3 . . ?
Si1 C3 Co1 120.16(12) . . ?
Si1 C3 H3A 107.3 . . ?
Si1 C3 H3B 107.3 . . ?
H3A C3 H3B 106.9 . . ?
N1 C4 C6 122.7(2) . . ?
C5 C4 N1 106.50(19) . . ?
C5 C4 C6 130.8(2) . . ?
N2 C5 C7 127.5(2) . . ?
C4 C5 N2 106.7(2) . . ?
C4 C5 C7 125.8(2) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 N1 115.22(19) . . ?
C13 C8 N1 121.8(2) . . ?
C13 C8 C9 122.7(2) . . ?
C8 C9 C2 120.1(2) . . ?
C10 C9 C2 123.2(2) . . ?
C10 C9 C8 116.4(2) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 C9 122.4(2) . . ?
C11 C10 H10 118.8 . . ?
C10 C11 C15 120.7(3) . . ?
C12 C11 C10 118.8(2) . . ?
C12 C11 C15 120.5(3) . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C13 122.0(2) . . ?
C13 C12 H12 119.0 . . ?
C8 C13 C12 117.6(2) . . ?
C8 C13 C14 122.5(2) . . ?
C12 C13 C14 119.8(2) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 110.09(19) . . ?
N2 C16 C21 109.58(19) . . ?
N2 C16 C25 110.7(2) . . ?
C21 C16 C17 107.8(2) . . ?
C21 C16 C25 108.2(2) . . ?
C25 C16 C17 110.4(2) . . ?
C16 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
C16 C17 C18 109.4(2) . . ?
H17A C17 H17B 108.2 . . ?
C18 C17 H17A 109.8 . . ?
C18 C17 H17B 109.8 . . ?
C17 C18 H18 109.2 . . ?
C19 C18 C17 110.0(2) . . ?
C19 C18 H18 109.2 . . ?
C19 C18 C24 109.8(2) . . ?
C24 C18 C17 109.4(3) . . ?
C24 C18 H18 109.2 . . ?
C18 C19 H19A 109.9 . . ?
C18 C19 H19B 109.9 . . ?
C18 C19 C20 108.9(2) . . ?
H19A C19 H19B 108.3 . . ?
C20 C19 H19A 109.9 . . ?
C20 C19 H19B 109.9 . . ?
C19 C20 H20 109.3 . . ?
C19 C20 C21 109.1(2) . . ?
C21 C20 H20 109.3 . . ?
C22 C20 C19 110.0(2) . . ?
C22 C20 H20 109.3 . . ?
C22 C20 C21 109.7(2) . . ?
C16 C21 C20 110.7(2) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C20 C22 H22A 109.9 . . ?
C20 C22 H22B 109.9 . . ?
C20 C22 C23 109.1(2) . . ?
H22A C22 H22B 108.3 . . ?
C23 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
C22 C23 H23 109.4 . . ?
C22 C23 C24 110.1(3) . . ?
C22 C23 C25 109.2(2) . . ?
C24 C23 H23 109.4 . . ?
C24 C23 C25 109.2(2) . . ?
C25 C23 H23 109.4 . . ?
C18 C24 H24A 109.8 . . ?
C18 C24 H24B 109.8 . . ?
C23 C24 C18 109.4(2) . . ?
C23 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C16 C25 C23 109.8(2) . . ?
C16 C25 H25A 109.7 . . ?
C16 C25 H25B 109.7 . . ?
C23 C25 H25A 109.7 . . ?
C23 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P1 123.87(18) . . ?
C34 C29 P1 117.85(18) . . ?
C34 C29 C30 118.2(2) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.3(2) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 119.7 . . ?
C32 C31 C30 120.6(2) . . ?
C32 C31 H31 119.7 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C33 119.7(2) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C29 C34 C33 121.2(2) . . ?
C29 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C36 C35 P1 122.9(2) . . ?
C40 C35 P1 118.28(18) . . ?
C40 C35 C36 118.8(2) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.2(3) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.5(2) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.0(2) . . ?
C39 C38 H38 120.0 . . ?
C38 C39 H39 120.1 . . ?
C38 C39 C40 119.7(3) . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 120.8(2) . . ?
C35 C40 H40 119.6 . . ?
C39 C40 H40 119.6 . . ?
C42 C41 P1 117.62(19) . . ?
C46 C41 P1 124.41(19) . . ?
C46 C41 C42 117.9(2) . . ?
C41 C42 H42 119.6 . . ?
C43 C42 C41 120.8(3) . . ?
C43 C42 H42 119.6 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.4(3) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 120.1 . . ?
C45 C44 C43 119.8(3) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 119.9 . . ?
C44 C45 C46 120.2(3) . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 120.8(3) . . ?
C41 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 P1 C29 C30 142.5(2) . . . . ?
Co1 P1 C29 C34 -35.2(2) . . . . ?
Co1 P1 C35 C36 152.08(19) . . . . ?
Co1 P1 C35 C40 -29.5(2) . . . . ?
Co1 P1 C41 C42 -60.9(2) . . . . ?
Co1 P1 C41 C46 115.2(2) . . . . ?
Co1 C2 C9 C8 -63.8(2) . . . . ?
Co1 C2 C9 C10 109.2(2) . . . . ?
P1 C29 C30 C31 -178.3(2) . . . . ?
P1 C29 C34 C33 177.6(2) . . . . ?
P1 C35 C36 C37 176.9(2) . . . . ?
P1 C35 C40 C39 -176.29(19) . . . . ?
P1 C41 C42 C43 178.1(2) . . . . ?
P1 C41 C46 C45 -176.6(2) . . . . ?
N1 C4 C5 N2 -2.1(3) . . . . ?
N1 C4 C5 C7 178.8(2) . . . . ?
N1 C8 C9 C2 -3.9(3) . . . . ?
N1 C8 C9 C10 -177.29(19) . . . . ?
N1 C8 C13 C12 177.8(2) . . . . ?
N1 C8 C13 C14 1.5(3) . . . . ?
N2 C16 C17 C18 -179.2(2) . . . . ?
N2 C16 C21 C20 -179.8(2) . . . . ?
N2 C16 C25 C23 179.7(2) . . . . ?
C1 N1 C4 C5 3.9(3) . . . . ?
C1 N1 C4 C6 -174.7(2) . . . . ?
C1 N1 C8 C9 47.6(3) . . . . ?
C1 N1 C8 C13 -126.5(2) . . . . ?
C1 N2 C5 C4 -0.2(3) . . . . ?
C1 N2 C5 C7 178.8(2) . . . . ?
C1 N2 C16 C17 114.0(2) . . . . ?
C1 N2 C16 C21 -4.4(3) . . . . ?
C1 N2 C16 C25 -123.7(2) . . . . ?
C2 C9 C10 C11 -173.5(2) . . . . ?
C4 N1 C1 Co1 162.79(15) . . . . ?
C4 N1 C1 N2 -3.9(3) . . . . ?
C4 N1 C8 C9 -117.1(2) . . . . ?
C4 N1 C8 C13 68.8(3) . . . . ?
C5 N2 C1 Co1 -158.9(2) . . . . ?
C5 N2 C1 N1 2.5(2) . . . . ?
C5 N2 C16 C17 -66.5(3) . . . . ?
C5 N2 C16 C21 175.0(2) . . . . ?
C5 N2 C16 C25 55.8(3) . . . . ?
C6 C4 C5 N2 176.4(2) . . . . ?
C6 C4 C5 C7 -2.7(4) . . . . ?
C8 N1 C1 Co1 -4.4(3) . . . . ?
C8 N1 C1 N2 -171.10(19) . . . . ?
C8 N1 C4 C5 169.3(2) . . . . ?
C8 N1 C4 C6 -9.4(4) . . . . ?
C8 C9 C10 C11 -0.3(3) . . . . ?
C9 C8 C13 C12 4.1(3) . . . . ?
C9 C8 C13 C14 -172.2(2) . . . . ?
C9 C10 C11 C12 2.6(4) . . . . ?
C9 C10 C11 C15 -177.0(2) . . . . ?
C10 C11 C12 C13 -1.7(4) . . . . ?
C11 C12 C13 C8 -1.6(4) . . . . ?
C11 C12 C13 C14 174.8(2) . . . . ?
C13 C8 C9 C2 170.2(2) . . . . ?
C13 C8 C9 C10 -3.2(3) . . . . ?
C15 C11 C12 C13 177.9(2) . . . . ?
C16 N2 C1 Co1 20.7(4) . . . . ?
C16 N2 C1 N1 -178.00(19) . . . . ?
C16 N2 C5 C4 -179.7(2) . . . . ?
C16 N2 C5 C7 -0.7(4) . . . . ?
C16 C17 C18 C19 61.0(3) . . . . ?
C16 C17 C18 C24 -59.7(3) . . . . ?
C17 C16 C21 C20 60.4(3) . . . . ?
C17 C16 C25 C23 -58.1(3) . . . . ?
C17 C18 C19 C20 -60.4(3) . . . . ?
C17 C18 C24 C23 61.6(3) . . . . ?
C18 C19 C20 C21 59.7(3) . . . . ?
C18 C19 C20 C22 -60.8(3) . . . . ?
C19 C18 C24 C23 -59.3(3) . . . . ?
C19 C20 C21 C16 -60.8(3) . . . . ?
C19 C20 C22 C23 60.3(3) . . . . ?
C20 C22 C23 C24 -59.3(3) . . . . ?
C20 C22 C23 C25 60.6(3) . . . . ?
C21 C16 C17 C18 -59.7(3) . . . . ?
C21 C16 C25 C23 59.6(3) . . . . ?
C21 C20 C22 C23 -59.8(3) . . . . ?
C22 C20 C21 C16 59.8(3) . . . . ?
C22 C23 C24 C18 58.9(3) . . . . ?
C22 C23 C25 C16 -61.2(3) . . . . ?
C24 C18 C19 C20 60.0(3) . . . . ?
C24 C23 C25 C16 59.2(3) . . . . ?
C25 C16 C17 C18 58.3(3) . . . . ?
C25 C16 C21 C20 -59.0(3) . . . . ?
C25 C23 C24 C18 -61.0(3) . . . . ?
C26 Si1 C3 Co1 -36.3(2) . . . . ?
C27 Si1 C3 Co1 -155.08(15) . . . . ?
C28 Si1 C3 Co1 84.15(17) . . . . ?
C29 P1 C35 C36 -80.9(2) . . . . ?
C29 P1 C35 C40 97.5(2) . . . . ?
C29 P1 C41 C42 166.92(19) . . . . ?
C29 P1 C41 C46 -17.0(2) . . . . ?
C29 C30 C31 C32 0.8(4) . . . . ?
C30 C29 C34 C33 -0.1(4) . . . . ?
C30 C31 C32 C33 -0.1(5) . . . . ?
C31 C32 C33 C34 -0.7(5) . . . . ?
C32 C33 C34 C29 0.8(5) . . . . ?
C34 C29 C30 C31 -0.6(4) . . . . ?
C35 P1 C29 C30 20.0(2) . . . . ?
C35 P1 C29 C34 -157.7(2) . . . . ?
C35 P1 C41 C42 61.5(2) . . . . ?
C35 P1 C41 C46 -122.5(2) . . . . ?
C35 C36 C37 C38 0.1(4) . . . . ?
C36 C35 C40 C39 2.2(4) . . . . ?
C36 C37 C38 C39 0.8(4) . . . . ?
C37 C38 C39 C40 -0.2(4) . . . . ?
C38 C39 C40 C35 -1.4(4) . . . . ?
C40 C35 C36 C37 -1.6(4) . . . . ?
C41 P1 C29 C30 -84.8(2) . . . . ?
C41 P1 C29 C34 97.5(2) . . . . ?
C41 P1 C35 C36 24.7(2) . . . . ?
C41 P1 C35 C40 -156.91(19) . . . . ?
C41 C42 C43 C44 -1.8(4) . . . . ?
C42 C41 C46 C45 -0.6(4) . . . . ?
C42 C43 C44 C45 0.8(5) . . . . ?
C43 C44 C45 C46 0.4(5) . . . . ?
C44 C45 C46 C41 -0.4(5) . . . . ?
C46 C41 C42 C43 1.7(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
