# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_sun47
_database_code_depnum_ccdc_archive 'CCDC 1490872'
_audit_update_record             
;
2017-09-11 deposited with the CCDC.
2018-02-06 downloaded from the CCDC.
;
_audit_creation_date             2016-06-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C35 H38 Co I N P3'
_chemical_formula_sum            'C35 H38 Co I N P3'
_chemical_formula_weight         751.40
_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'
I I -0.4742 1.8119 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.8680(3)
_cell_length_b                   15.5580(5)
_cell_length_c                   23.3260(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.659(2)
_cell_angle_gamma                90
_cell_volume                     3162.72(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    50752
_cell_measurement_temperature    153.15
_cell_measurement_theta_max      33.37
_cell_measurement_theta_min      1.58
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.697
_exptl_absorpt_correction_T_max  0.8420
_exptl_absorpt_correction_T_min  0.6647
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 4 0.1162
0 -1 -4 0.1240
0 4 -2 0.0547
0 -4 2 0.0656
4 -1 0 0.0713
-4 -1 1 0.0726

_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_unetI/netI     0.0263
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24228
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.174
_diffrn_reflns_theta_min         1.582
_diffrn_ambient_temperature      153.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Mo GeniX 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Mo
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5893
_reflns_number_total             6901
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.910
_refine_diff_density_min         -0.458
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6901
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0228
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0325P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0530
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C14(H14), C15(H15),
 C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C25(H25),
  C26(H26), C27(H27), C28(H28), C29(H29)
2.b Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_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
I1 I 1.02175(2) 0.18210(2) 0.32164(2) 0.01898(4) Uani 1 1 d . . . . .
Co1 Co 0.84086(3) 0.27471(2) 0.38076(2) 0.01231(6) Uani 1 1 d . . . . .
P1 P 0.83000(5) 0.39070(3) 0.32144(2) 0.01405(9) Uani 1 1 d . . . . .
P2 P 1.05936(5) 0.30430(3) 0.44400(2) 0.01678(10) Uani 1 1 d . . . . .
P3 P 0.61062(5) 0.21697(3) 0.33884(2) 0.01589(10) Uani 1 1 d . . . . .
N1 N 0.68697(18) 0.30992(10) 0.47203(7) 0.0159(3) Uani 1 1 d . . . . .
C1 C 0.7219(2) 0.46557(12) 0.35809(8) 0.0149(3) Uani 1 1 d . . . . .
C2 C 0.6784(2) 0.43083(12) 0.40774(8) 0.0150(3) Uani 1 1 d . . . . .
C3 C 0.5926(2) 0.48082(13) 0.43980(9) 0.0211(4) Uani 1 1 d . . . . .
H3 H 0.5618 0.4574 0.4734 0.025 Uiso 1 1 calc R . . . .
C4 C 0.5523(2) 0.56416(13) 0.42284(9) 0.0225(4) Uani 1 1 d . . . . .
H4 H 0.4925 0.5973 0.4445 0.027 Uiso 1 1 calc R . . . .
C5 C 0.5987(2) 0.59944(13) 0.37447(9) 0.0197(4) Uani 1 1 d . . . . .
H5 H 0.5721 0.6570 0.3634 0.024 Uiso 1 1 calc R . . . .
C6 C 0.6836(2) 0.55111(12) 0.34225(8) 0.0181(4) Uani 1 1 d . . . . .
H6 H 0.7161 0.5757 0.3093 0.022 Uiso 1 1 calc R . . . .
C7 C 0.7248(2) 0.34177(12) 0.42538(8) 0.0143(3) Uani 1 1 d . . . . .
C8 C 0.7370(2) 0.22430(12) 0.48068(8) 0.0156(4) Uani 1 1 d . . . . .
C9 C 0.8170(2) 0.18987(12) 0.44023(8) 0.0157(3) Uani 1 1 d . . . . .
C10 C 0.8538(2) 0.10097(13) 0.44390(9) 0.0186(4) Uani 1 1 d . . . . .
H10 H 0.9130 0.0769 0.4179 0.022 Uiso 1 1 calc R . . . .
C11 C 0.8050(2) 0.04951(13) 0.48446(9) 0.0204(4) Uani 1 1 d . . . . .
H11 H 0.8274 -0.0102 0.4850 0.025 Uiso 1 1 calc R . . . .
C12 C 0.7217(2) 0.08359(13) 0.52569(8) 0.0181(4) Uani 1 1 d . . . . .
C13 C 0.6900(2) 0.17337(12) 0.52514(8) 0.0172(4) Uani 1 1 d . . . . .
C14 C 0.6073(3) 0.20690(14) 0.56651(10) 0.0256(4) Uani 1 1 d . . . . .
H14 H 0.5871 0.2668 0.5671 0.031 Uiso 1 1 calc R . . . .
C15 C 0.5560(3) 0.15356(16) 0.60580(10) 0.0324(5) Uani 1 1 d . . . . .
H15 H 0.5011 0.1770 0.6334 0.039 Uiso 1 1 calc R . . . .
C16 C 0.5841(3) 0.06479(15) 0.60548(10) 0.0297(5) Uani 1 1 d . . . . .
H16 H 0.5463 0.0284 0.6323 0.036 Uiso 1 1 calc R . . . .
C17 C 0.6657(2) 0.03063(14) 0.56670(9) 0.0242(4) Uani 1 1 d . . . . .
H17 H 0.6852 -0.0294 0.5672 0.029 Uiso 1 1 calc R . . . .
C18 C 0.9969(2) 0.45384(13) 0.31032(8) 0.0183(4) Uani 1 1 d . . . . .
C19 C 1.0830(2) 0.42521(15) 0.26957(9) 0.0240(4) Uani 1 1 d . . . . .
H19 H 1.0543 0.3740 0.2481 0.029 Uiso 1 1 calc R . . . .
C20 C 1.2105(2) 0.47157(17) 0.26041(10) 0.0307(5) Uani 1 1 d . . . . .
H20 H 1.2689 0.4518 0.2328 0.037 Uiso 1 1 calc R . . . .
C21 C 1.2524(2) 0.54584(18) 0.29110(11) 0.0344(6) Uani 1 1 d . . . . .
H21 H 1.3385 0.5777 0.2840 0.041 Uiso 1 1 calc R . . . .
C22 C 1.1703(3) 0.57436(16) 0.33212(11) 0.0327(5) Uani 1 1 d . . . . .
H22 H 1.2005 0.6254 0.3535 0.039 Uiso 1 1 calc R . . . .
C23 C 1.0428(2) 0.52820(14) 0.34223(9) 0.0244(4) Uani 1 1 d . . . . .
H23 H 0.9871 0.5475 0.3709 0.029 Uiso 1 1 calc R . . . .
C24 C 0.7264(2) 0.38242(13) 0.24538(8) 0.0176(4) Uani 1 1 d . . . . .
C25 C 0.7545(2) 0.31171(15) 0.21231(9) 0.0249(4) Uani 1 1 d . . . . .
H25 H 0.8309 0.2712 0.2283 0.030 Uiso 1 1 calc R . . . .
C26 C 0.6718(3) 0.29967(17) 0.15601(10) 0.0319(5) Uani 1 1 d . . . . .
H26 H 0.6919 0.2512 0.1338 0.038 Uiso 1 1 calc R . . . .
C27 C 0.5595(3) 0.35886(17) 0.13224(9) 0.0300(5) Uani 1 1 d . . . . .
H27 H 0.5016 0.3503 0.0941 0.036 Uiso 1 1 calc R . . . .
C28 C 0.5330(2) 0.42980(15) 0.16422(9) 0.0241(4) Uani 1 1 d . . . . .
H28 H 0.4581 0.4708 0.1477 0.029 Uiso 1 1 calc R . . . .
C29 C 0.6147(2) 0.44193(13) 0.22049(9) 0.0205(4) Uani 1 1 d . . . . .
H29 H 0.5948 0.4909 0.2422 0.025 Uiso 1 1 calc R . . . .
C30 C 1.1649(2) 0.21287(15) 0.48048(10) 0.0256(4) Uani 1 1 d . . . . .
H30A H 1.1020 0.1838 0.5050 0.038 Uiso 1 1 calc GR . . . .
H30B H 1.2603 0.2331 0.5049 0.038 Uiso 1 1 calc GR . . . .
H30C H 1.1892 0.1726 0.4512 0.038 Uiso 1 1 calc GR . . . .
C31 C 1.2167(2) 0.36000(15) 0.41913(10) 0.0267(5) Uani 1 1 d . . . . .
H31A H 1.2339 0.3342 0.3826 0.040 Uiso 1 1 calc GR . . . .
H31B H 1.3102 0.3549 0.4488 0.040 Uiso 1 1 calc GR . . . .
H31C H 1.1904 0.4209 0.4127 0.040 Uiso 1 1 calc GR . . . .
C32 C 1.0348(3) 0.37012(17) 0.50627(11) 0.0333(5) Uani 1 1 d . . . . .
H32A H 0.9890 0.4254 0.4924 0.050 Uiso 1 1 calc GR . . . .
H32B H 1.1349 0.3800 0.5313 0.050 Uiso 1 1 calc GR . . . .
H32C H 0.9673 0.3404 0.5286 0.050 Uiso 1 1 calc GR . . . .
C33 C 0.4889(2) 0.17190(14) 0.38650(9) 0.0225(4) Uani 1 1 d . . . . .
H33A H 0.5428 0.1244 0.4092 0.034 Uiso 1 1 calc GR . . . .
H33B H 0.3934 0.1505 0.3628 0.034 Uiso 1 1 calc GR . . . .
H33C H 0.4652 0.2166 0.4131 0.034 Uiso 1 1 calc GR . . . .
C34 C 0.6254(3) 0.12482(16) 0.29298(11) 0.0310(5) Uani 1 1 d . . . . .
H34A H 0.6701 0.1426 0.2594 0.047 Uiso 1 1 calc GR . . . .
H34B H 0.5231 0.1007 0.2792 0.047 Uiso 1 1 calc GR . . . .
H34C H 0.6912 0.0813 0.3154 0.047 Uiso 1 1 calc GR . . . .
C35 C 0.4648(2) 0.28332(15) 0.29338(10) 0.0269(5) Uani 1 1 d . . . . .
H35A H 0.4584 0.3392 0.3122 0.040 Uiso 1 1 calc GR . . . .
H35B H 0.3651 0.2544 0.2885 0.040 Uiso 1 1 calc GR . . . .
H35C H 0.4930 0.2919 0.2551 0.040 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
I1 Co1 2.7147(3) . ?
Co1 P1 2.2653(5) . ?
Co1 P2 2.2550(5) . ?
Co1 P3 2.2789(5) . ?
Co1 C7 1.9047(19) . ?
Co1 C9 1.9543(19) . ?
P1 C1 1.8192(19) . ?
P1 C18 1.834(2) . ?
P1 C24 1.8453(19) . ?
P2 C30 1.825(2) . ?
P2 C31 1.826(2) . ?
P2 C32 1.823(2) . ?
P3 C33 1.827(2) . ?
P3 C34 1.808(2) . ?
P3 C35 1.832(2) . ?
N1 C7 1.295(3) . ?
N1 C8 1.407(2) . ?
C1 C2 1.396(3) . ?
C1 C6 1.406(3) . ?
C2 C3 1.398(3) . ?
C2 C7 1.482(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.380(3) . ?
C6 H6 0.9500 . ?
C8 C9 1.389(3) . ?
C8 C13 1.427(3) . ?
C9 C10 1.420(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.369(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.420(3) . ?
C12 C13 1.424(3) . ?
C12 C17 1.420(3) . ?
C13 C14 1.415(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.375(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.404(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.366(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(3) . ?
C18 C23 1.395(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.391(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.374(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.379(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(3) . ?
C24 C29 1.400(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.394(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.394(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.376(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.390(3) . ?
C29 H29 0.9500 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Co1 I1 94.289(15) . . ?
P1 Co1 P3 96.802(19) . . ?
P2 Co1 I1 85.625(15) . . ?
P2 Co1 P1 99.86(2) . . ?
P2 Co1 P3 162.63(2) . . ?
P3 Co1 I1 98.022(15) . . ?
C7 Co1 I1 176.57(5) . . ?
C7 Co1 P1 86.06(6) . . ?
C7 Co1 P2 90.95(5) . . ?
C7 Co1 P3 85.32(5) . . ?
C7 Co1 C9 80.90(8) . . ?
C9 Co1 I1 98.85(6) . . ?
C9 Co1 P1 166.82(6) . . ?
C9 Co1 P2 82.31(5) . . ?
C9 Co1 P3 80.35(5) . . ?
C1 P1 Co1 100.92(6) . . ?
C1 P1 C18 103.45(9) . . ?
C1 P1 C24 106.53(9) . . ?
C18 P1 Co1 124.66(6) . . ?
C18 P1 C24 99.95(9) . . ?
C24 P1 Co1 119.28(7) . . ?
C30 P2 Co1 116.78(7) . . ?
C30 P2 C31 99.31(10) . . ?
C31 P2 Co1 120.25(7) . . ?
C32 P2 Co1 114.91(8) . . ?
C32 P2 C30 101.12(11) . . ?
C32 P2 C31 101.39(12) . . ?
C33 P3 Co1 118.27(7) . . ?
C33 P3 C35 97.79(10) . . ?
C34 P3 Co1 114.14(7) . . ?
C34 P3 C33 99.88(11) . . ?
C34 P3 C35 103.00(12) . . ?
C35 P3 Co1 120.44(7) . . ?
C7 N1 C8 111.03(16) . . ?
C2 C1 P1 113.12(14) . . ?
C2 C1 C6 119.60(17) . . ?
C6 C1 P1 127.26(15) . . ?
C1 C2 C3 119.34(17) . . ?
C1 C2 C7 119.17(16) . . ?
C3 C2 C7 121.49(17) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.41(19) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.32(19) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.9 . . ?
C6 C5 C4 120.13(18) . . ?
C6 C5 H5 119.9 . . ?
C1 C6 H6 119.9 . . ?
C5 C6 C1 120.15(18) . . ?
C5 C6 H6 119.9 . . ?
N1 C7 Co1 119.98(14) . . ?
N1 C7 C2 119.30(17) . . ?
C2 C7 Co1 120.71(13) . . ?
N1 C8 C13 120.20(17) . . ?
C9 C8 N1 117.07(17) . . ?
C9 C8 C13 122.30(17) . . ?
C8 C9 Co1 110.96(14) . . ?
C8 C9 C10 118.36(17) . . ?
C10 C9 Co1 130.32(15) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.86(19) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.35(18) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C13 119.13(18) . . ?
C11 C12 C17 122.04(19) . . ?
C17 C12 C13 118.82(19) . . ?
C12 C13 C8 117.86(18) . . ?
C14 C13 C8 123.28(18) . . ?
C14 C13 C12 118.79(18) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.6(2) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(2) . . ?
C17 C16 H16 119.9 . . ?
C12 C17 H17 119.5 . . ?
C16 C17 C12 121.0(2) . . ?
C16 C17 H17 119.5 . . ?
C19 C18 P1 118.81(16) . . ?
C23 C18 P1 122.14(16) . . ?
C23 C18 C19 119.03(19) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.1(2) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.4(2) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.4(2) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(2) . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 120.1(2) . . ?
C18 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 P1 118.64(15) . . ?
C25 C24 C29 118.55(18) . . ?
C29 C24 P1 122.73(16) . . ?
C24 C25 H25 119.6 . . ?
C24 C25 C26 120.8(2) . . ?
C26 C25 H25 119.6 . . ?
C25 C26 H26 120.0 . . ?
C25 C26 C27 119.9(2) . . ?
C27 C26 H26 120.0 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.7(2) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.7 . . ?
C27 C28 C29 120.60(19) . . ?
C29 C28 H28 119.7 . . ?
C24 C29 H29 119.8 . . ?
C28 C29 C24 120.5(2) . . ?
C28 C29 H29 119.8 . . ?
P2 C30 H30A 109.5 . . ?
P2 C30 H30B 109.5 . . ?
P2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
P2 C31 H31A 109.5 . . ?
P2 C31 H31B 109.5 . . ?
P2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P2 C32 H32A 109.5 . . ?
P2 C32 H32B 109.5 . . ?
P2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
P3 C33 H33A 109.5 . . ?
P3 C33 H33B 109.5 . . ?
P3 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
P3 C34 H34A 109.5 . . ?
P3 C34 H34B 109.5 . . ?
P3 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
P3 C35 H35A 109.5 . . ?
P3 C35 H35B 109.5 . . ?
P3 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 P1 C1 C2 -1.14(14) . . . . ?
Co1 P1 C1 C6 177.46(15) . . . . ?
Co1 P1 C18 C19 83.68(16) . . . . ?
Co1 P1 C18 C23 -94.69(17) . . . . ?
Co1 P1 C24 C25 -47.51(18) . . . . ?
Co1 P1 C24 C29 129.06(15) . . . . ?
Co1 C9 C10 C11 -169.20(15) . . . . ?
P1 C1 C2 C3 -179.06(15) . . . . ?
P1 C1 C2 C7 1.1(2) . . . . ?
P1 C1 C6 C5 179.20(15) . . . . ?
P1 C18 C19 C20 -179.72(16) . . . . ?
P1 C18 C23 C22 -179.77(16) . . . . ?
P1 C24 C25 C26 175.74(18) . . . . ?
P1 C24 C29 C28 -175.86(16) . . . . ?
N1 C8 C9 Co1 0.9(2) . . . . ?
N1 C8 C9 C10 -172.95(16) . . . . ?
N1 C8 C13 C12 169.49(16) . . . . ?
N1 C8 C13 C14 -7.3(3) . . . . ?
C1 P1 C18 C19 -162.60(15) . . . . ?
C1 P1 C18 C23 19.03(18) . . . . ?
C1 P1 C24 C25 -160.65(16) . . . . ?
C1 P1 C24 C29 15.92(19) . . . . ?
C1 C2 C3 C4 -0.6(3) . . . . ?
C1 C2 C7 Co1 -0.5(2) . . . . ?
C1 C2 C7 N1 178.75(17) . . . . ?
C2 C1 C6 C5 -2.3(3) . . . . ?
C2 C3 C4 C5 -1.1(3) . . . . ?
C3 C2 C7 Co1 179.70(15) . . . . ?
C3 C2 C7 N1 -1.0(3) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
C4 C5 C6 C1 0.6(3) . . . . ?
C6 C1 C2 C3 2.2(3) . . . . ?
C6 C1 C2 C7 -177.58(16) . . . . ?
C7 N1 C8 C9 0.9(2) . . . . ?
C7 N1 C8 C13 -171.70(17) . . . . ?
C7 C2 C3 C4 179.23(18) . . . . ?
C8 N1 C7 Co1 -2.4(2) . . . . ?
C8 N1 C7 C2 178.31(15) . . . . ?
C8 C9 C10 C11 3.2(3) . . . . ?
C8 C13 C14 C15 175.5(2) . . . . ?
C9 C8 C13 C12 -2.7(3) . . . . ?
C9 C8 C13 C14 -179.48(19) . . . . ?
C9 C10 C11 C12 -2.6(3) . . . . ?
C10 C11 C12 C13 -0.7(3) . . . . ?
C10 C11 C12 C17 177.77(19) . . . . ?
C11 C12 C13 C8 3.3(3) . . . . ?
C11 C12 C13 C14 -179.77(18) . . . . ?
C11 C12 C17 C16 -179.2(2) . . . . ?
C12 C13 C14 C15 -1.2(3) . . . . ?
C13 C8 C9 Co1 173.30(14) . . . . ?
C13 C8 C9 C10 -0.5(3) . . . . ?
C13 C12 C17 C16 -0.7(3) . . . . ?
C13 C14 C15 C16 -0.2(4) . . . . ?
C14 C15 C16 C17 1.3(4) . . . . ?
C15 C16 C17 C12 -0.8(3) . . . . ?
C17 C12 C13 C8 -175.25(17) . . . . ?
C17 C12 C13 C14 1.7(3) . . . . ?
C18 P1 C1 C2 -131.06(14) . . . . ?
C18 P1 C1 C6 47.54(18) . . . . ?
C18 P1 C24 C25 91.99(18) . . . . ?
C18 P1 C24 C29 -91.44(17) . . . . ?
C18 C19 C20 C21 -0.3(3) . . . . ?
C19 C18 C23 C22 1.9(3) . . . . ?
C19 C20 C21 C22 1.3(3) . . . . ?
C20 C21 C22 C23 -0.7(3) . . . . ?
C21 C22 C23 C18 -0.9(3) . . . . ?
C23 C18 C19 C20 -1.3(3) . . . . ?
C24 P1 C1 C2 124.09(14) . . . . ?
C24 P1 C1 C6 -57.31(18) . . . . ?
C24 P1 C18 C19 -52.79(17) . . . . ?
C24 P1 C18 C23 128.84(17) . . . . ?
C24 C25 C26 C27 0.0(4) . . . . ?
C25 C24 C29 C28 0.7(3) . . . . ?
C25 C26 C27 C28 1.2(4) . . . . ?
C26 C27 C28 C29 -1.5(4) . . . . ?
C27 C28 C29 C24 0.5(3) . . . . ?
C29 C24 C25 C26 -1.0(3) . . . . ?

_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_sun08
_database_code_depnum_ccdc_archive 'CCDC 1547326'
_audit_update_record             
;
2017-05-02 deposited with the CCDC.
2018-02-06 downloaded from the CCDC.
;
_audit_creation_date             2017-05-02
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H37 Co N P3'
_chemical_formula_sum            'C31 H37 Co N P3'
_chemical_formula_weight         575.45
_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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   40.6142(16)
_cell_length_b                   9.1256(3)
_cell_length_c                   15.9365(6)
_cell_angle_alpha                90
_cell_angle_beta                 105.127(5)
_cell_angle_gamma                90
_cell_volume                     5701.9(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    52668
_cell_measurement_temperature    174.15
_cell_measurement_theta_max      34.74
_cell_measurement_theta_min      2.08
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.8988
_exptl_absorpt_correction_T_min  0.5848
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Stoe Xred'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'blackish red'
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2416
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 1 0 0.1662
4 -1 1 0.3119
4 -1 -2 0.4522
-4 -1 0 0.2141
-4 -1 -1 0.3249
-4 1 -1 0.4748
-4 1 0 0.1861
-4 1 2 0.6469
0 -1 0 0.1730

_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.273
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            44518
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.163
_diffrn_reflns_theta_min         2.078
_diffrn_ambient_temperature      174.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Mo GeniX 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Mo
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5661
_reflns_number_total             6894
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6894
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0603P)²+3.6612P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0997
_refine_special_details          ?
_atom_sites_solution_hydrogens   mixed
_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 0.85456(2) 0.58679(3) 0.10609(2) 0.01826(8) Uani 1 1 d . . . . .
P1 P 0.90414(2) 0.48931(5) 0.11928(3) 0.01866(11) Uani 1 1 d . . . . .
P2 P 0.82102(2) 0.40071(5) 0.04681(4) 0.02652(12) Uani 1 1 d . . . . .
P3 P 0.83845(2) 0.73397(5) -0.00483(3) 0.02140(11) Uani 1 1 d . . . . .
N1 N 0.86983(4) 0.84388(17) 0.20976(11) 0.0237(3) Uani 1 1 d . . . . .
C1 C 0.82390(5) 0.6674(2) 0.18663(13) 0.0245(4) Uani 1 1 d . . . . .
C2 C 0.83731(5) 0.8080(2) 0.21554(13) 0.0254(4) Uani 1 1 d . . . . .
C3 C 0.81747(6) 0.9101(2) 0.24621(15) 0.0329(5) Uani 1 1 d . . . . .
H3 H 0.8267 1.0035 0.2658 0.039 Uiso 1 1 calc R . . . .
C4 C 0.78449(6) 0.8752(3) 0.24805(17) 0.0401(6) Uani 1 1 d . . . . .
H4 H 0.7709 0.9460 0.2670 0.048 Uiso 1 1 calc R . . . .
C5 C 0.77123(6) 0.7369(3) 0.22220(17) 0.0411(6) Uani 1 1 d . . . . .
H5 H 0.7487 0.7132 0.2243 0.049 Uiso 1 1 calc R . . . .
C6 C 0.79079(5) 0.6340(3) 0.19340(15) 0.0337(5) Uani 1 1 d . . . . .
H6 H 0.7817 0.5388 0.1779 0.040 Uiso 1 1 calc R . . . .
C7 C 0.88200(5) 0.74752(19) 0.16504(12) 0.0206(4) Uani 1 1 d . . . . .
C8 C 0.91744(5) 0.7684(2) 0.15795(12) 0.0206(4) Uani 1 1 d . . . . .
C9 C 0.93217(5) 0.6477(2) 0.12850(13) 0.0219(4) Uani 1 1 d . . . . .
C10 C 0.96416(5) 0.6578(2) 0.11236(14) 0.0296(4) Uani 1 1 d . . . . .
H10 H 0.9738 0.5753 0.0913 0.036 Uiso 1 1 calc R . . . .
C11 C 0.98178(5) 0.7898(3) 0.12743(16) 0.0343(5) Uani 1 1 d . . . . .
H11 H 1.0035 0.7984 0.1160 0.041 Uiso 1 1 calc R . . . .
C12 C 0.96764(6) 0.9087(2) 0.15912(15) 0.0319(5) Uani 1 1 d . . . . .
H12 H 0.9800 0.9981 0.1700 0.038 Uiso 1 1 calc R . . . .
C13 C 0.93588(5) 0.8997(2) 0.17519(13) 0.0256(4) Uani 1 1 d . . . . .
H13 H 0.9266 0.9818 0.1977 0.031 Uiso 1 1 calc R . . . .
C14 C 0.92401(5) 0.3840(2) 0.21838(13) 0.0214(4) Uani 1 1 d . . . . .
C15 C 0.90485(6) 0.2830(3) 0.24955(15) 0.0355(5) Uani 1 1 d . . . . .
H15 H 0.8813 0.2725 0.2208 0.043 Uiso 1 1 calc R . . . .
C16 C 0.91873(6) 0.1965(3) 0.32130(16) 0.0385(5) Uani 1 1 d . . . . .
H16 H 0.9050 0.1262 0.3402 0.046 Uiso 1 1 calc R . . . .
C17 C 0.95235(7) 0.2122(3) 0.36509(16) 0.0411(6) Uani 1 1 d . . . . .
H17 H 0.9620 0.1542 0.4149 0.049 Uiso 1 1 calc R . . . .
C18 C 0.97175(8) 0.3127(4) 0.3360(2) 0.0706(11) Uani 1 1 d . . . . .
H18 H 0.9951 0.3246 0.3660 0.085 Uiso 1 1 calc R . . . .
C19 C 0.95780(7) 0.3974(3) 0.2633(2) 0.0547(8) Uani 1 1 d . . . . .
H19 H 0.9718 0.4661 0.2441 0.066 Uiso 1 1 calc R . . . .
C20 C 0.91575(5) 0.3776(2) 0.03615(13) 0.0211(4) Uani 1 1 d . . . . .
C21 C 0.91116(6) 0.4374(2) -0.04641(14) 0.0316(5) Uani 1 1 d . . . . .
H21 H 0.9045 0.5370 -0.0562 0.038 Uiso 1 1 calc R . . . .
C22 C 0.91626(7) 0.3536(3) -0.11469(15) 0.0369(5) Uani 1 1 d . . . . .
H22 H 0.9126 0.3952 -0.1710 0.044 Uiso 1 1 calc R . . . .
C23 C 0.92662(6) 0.2089(2) -0.10044(14) 0.0322(5) Uani 1 1 d . . . . .
H23 H 0.9299 0.1508 -0.1471 0.039 Uiso 1 1 calc R . . . .
C24 C 0.93220(6) 0.1500(2) -0.01855(14) 0.0303(4) Uani 1 1 d . . . . .
H24 H 0.9398 0.0516 -0.0084 0.036 Uiso 1 1 calc R . . . .
C25 C 0.92677(5) 0.2333(2) 0.04950(13) 0.0255(4) Uani 1 1 d . . . . .
H25 H 0.9306 0.1912 0.1057 0.031 Uiso 1 1 calc R . . . .
C26 C 0.81407(7) 0.2574(3) 0.12125(19) 0.0495(7) Uani 1 1 d . . . . .
H26A H 0.8351 0.2005 0.1424 0.074 Uiso 1 1 calc GR . . . .
H26B H 0.7957 0.1924 0.0905 0.074 Uiso 1 1 calc GR . . . .
H26C H 0.8078 0.3029 0.1706 0.074 Uiso 1 1 calc GR . . . .
C27 C 0.83220(6) 0.2861(3) -0.03590(18) 0.0433(6) Uani 1 1 d . . . . .
H27A H 0.8349 0.3479 -0.0839 0.065 Uiso 1 1 calc GR . . . .
H27B H 0.8140 0.2144 -0.0578 0.065 Uiso 1 1 calc GR . . . .
H27C H 0.8536 0.2347 -0.0102 0.065 Uiso 1 1 calc GR . . . .
C28 C 0.77651(5) 0.4426(3) -0.00885(17) 0.0373(5) Uani 1 1 d . . . . .
H28A H 0.7659 0.4957 0.0308 0.056 Uiso 1 1 calc GR . . . .
H28B H 0.7641 0.3511 -0.0271 0.056 Uiso 1 1 calc GR . . . .
H28C H 0.7758 0.5034 -0.0600 0.056 Uiso 1 1 calc GR . . . .
C29 C 0.86705(6) 0.8831(2) -0.01633(15) 0.0338(5) Uani 1 1 d . . . . .
H29A H 0.8707 0.9483 0.0341 0.051 Uiso 1 1 calc GR . . . .
H29B H 0.8568 0.9385 -0.0694 0.051 Uiso 1 1 calc GR . . . .
H29C H 0.8890 0.8423 -0.0198 0.051 Uiso 1 1 calc GR . . . .
C30 C 0.82832(6) 0.6662(3) -0.11746(14) 0.0340(5) Uani 1 1 d . . . . .
H30A H 0.8485 0.6187 -0.1281 0.051 Uiso 1 1 calc GR . . . .
H30B H 0.8214 0.7485 -0.1577 0.051 Uiso 1 1 calc GR . . . .
H30C H 0.8096 0.5952 -0.1265 0.051 Uiso 1 1 calc GR . . . .
C31 C 0.79995(5) 0.8410(2) -0.00787(16) 0.0339(5) Uani 1 1 d . . . . .
H31A H 0.7805 0.7747 -0.0146 0.051 Uiso 1 1 calc GR . . . .
H31B H 0.7956 0.9092 -0.0570 0.051 Uiso 1 1 calc GR . . . .
H31C H 0.8032 0.8963 0.0464 0.051 Uiso 1 1 calc GR . . . .
H1 H 0.8439(8) 0.578(3) 0.200(2) 0.064(9) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P1 2.1610(5) . ?
Co1 P2 2.2272(5) . ?
Co1 P3 2.1801(6) . ?
Co1 C1 2.1387(19) . ?
Co1 C7 1.9310(18) . ?
P1 C9 1.8218(19) . ?
P1 C14 1.845(2) . ?
P1 C20 1.8283(19) . ?
P2 C26 1.836(2) . ?
P2 C27 1.830(2) . ?
P2 C28 1.834(2) . ?
P3 C29 1.829(2) . ?
P3 C30 1.841(2) . ?
P3 C31 1.833(2) . ?
N1 C2 1.387(2) . ?
N1 C7 1.307(2) . ?
C1 C2 1.423(3) . ?
C1 C6 1.410(3) . ?
C2 C3 1.400(3) . ?
C3 C4 1.384(3) . ?
C4 C5 1.392(4) . ?
C5 C6 1.384(3) . ?
C7 C8 1.485(3) . ?
C8 C9 1.392(3) . ?
C8 C13 1.402(3) . ?
C9 C10 1.392(3) . ?
C10 C11 1.390(3) . ?
C11 C12 1.383(3) . ?
C12 C13 1.382(3) . ?
C14 C15 1.380(3) . ?
C14 C19 1.378(3) . ?
C15 C16 1.383(3) . ?
C16 C17 1.369(4) . ?
C17 C18 1.366(4) . ?
C18 C19 1.385(4) . ?
C20 C21 1.391(3) . ?
C20 C25 1.389(3) . ?
C21 C22 1.389(3) . ?
C22 C23 1.386(3) . ?
C23 C24 1.375(3) . ?
C24 C25 1.388(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Co1 P2 100.30(2) . . ?
P1 Co1 P3 114.04(2) . . ?
P3 Co1 P2 96.02(2) . . ?
C1 Co1 P1 139.20(6) . . ?
C1 Co1 P2 97.42(6) . . ?
C1 Co1 P3 100.15(6) . . ?
C7 Co1 P1 81.99(6) . . ?
C7 Co1 P2 175.47(6) . . ?
C7 Co1 P3 86.53(6) . . ?
C7 Co1 C1 78.42(8) . . ?
C9 P1 Co1 103.18(6) . . ?
C9 P1 C14 102.68(9) . . ?
C9 P1 C20 103.12(8) . . ?
C14 P1 Co1 119.08(6) . . ?
C20 P1 Co1 124.68(7) . . ?
C20 P1 C14 101.07(8) . . ?
C26 P2 Co1 116.69(9) . . ?
C27 P2 Co1 120.12(8) . . ?
C27 P2 C26 99.62(13) . . ?
C27 P2 C28 99.74(12) . . ?
C28 P2 Co1 117.57(8) . . ?
C28 P2 C26 99.37(12) . . ?
C29 P3 Co1 118.39(8) . . ?
C29 P3 C30 97.96(11) . . ?
C29 P3 C31 99.25(11) . . ?
C30 P3 Co1 121.80(8) . . ?
C31 P3 Co1 115.02(8) . . ?
C31 P3 C30 100.44(11) . . ?
C7 N1 C2 112.30(16) . . ?
C2 C1 Co1 105.71(13) . . ?
C6 C1 Co1 133.45(16) . . ?
C6 C1 C2 117.54(18) . . ?
N1 C2 C1 118.81(17) . . ?
N1 C2 C3 120.73(19) . . ?
C3 C2 C1 120.41(19) . . ?
C4 C3 C2 120.2(2) . . ?
C3 C4 C5 120.3(2) . . ?
C6 C5 C4 120.2(2) . . ?
C5 C6 C1 121.3(2) . . ?
N1 C7 Co1 121.60(14) . . ?
N1 C7 C8 117.83(17) . . ?
C8 C7 Co1 120.52(13) . . ?
C9 C8 C7 115.78(16) . . ?
C9 C8 C13 119.20(17) . . ?
C13 C8 C7 124.98(17) . . ?
C8 C9 P1 109.89(13) . . ?
C10 C9 P1 129.15(15) . . ?
C10 C9 C8 120.95(18) . . ?
C11 C10 C9 119.26(19) . . ?
C12 C11 C10 119.92(19) . . ?
C13 C12 C11 121.21(19) . . ?
C12 C13 C8 119.40(19) . . ?
C15 C14 P1 119.62(16) . . ?
C19 C14 P1 123.56(16) . . ?
C19 C14 C15 116.8(2) . . ?
C14 C15 C16 122.2(2) . . ?
C17 C16 C15 119.9(2) . . ?
C18 C17 C16 119.0(2) . . ?
C17 C18 C19 120.8(3) . . ?
C14 C19 C18 121.3(2) . . ?
C21 C20 P1 118.05(15) . . ?
C25 C20 P1 123.46(15) . . ?
C25 C20 C21 118.36(18) . . ?
C22 C21 C20 120.93(19) . . ?
C23 C22 C21 119.8(2) . . ?
C24 C23 C22 119.7(2) . . ?
C23 C24 C25 120.45(19) . . ?
C24 C25 C20 120.66(19) . . ?

_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25)
2.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_shelx_SHELXL_version_number     2014/7
_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.
;
####################################################################### 
# 
# 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_sun09
_database_code_depnum_ccdc_archive 'CCDC 1539739'
_audit_update_record             
;
2017-03-23 deposited with the CCDC.
2018-02-06 downloaded from the CCDC.
;
_audit_creation_date             2017-03-15
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.01.04 svn.r3372 for OlexSys, GUI svn.r5292)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H40 Co N P3'
_chemical_formula_sum            'C35 H40 Co N P3'
_chemical_formula_weight         626.52
_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.7562(3)
_cell_length_b                   16.0052(4)
_cell_length_c                   23.0007(9)
_cell_angle_alpha                90
_cell_angle_beta                 99.977(3)
_cell_angle_gamma                90
_cell_volume                     3174.68(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    81474
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      35.00
_cell_measurement_theta_min      1.56
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.717
_exptl_absorpt_correction_T_max  0.9373
_exptl_absorpt_correction_T_min  0.5736
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Stoe XRed'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             1316
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 0 -2 0.1894
2 3 4 0.1526
2 -4 -1 0.0653
-2 -3 -4 0.1425
-2 0 -4 0.1918
-2 4 1 0.0560
-1 2 4 0.3150
0 -1 0 0.1635

_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            26537
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.207
_diffrn_reflns_theta_min         1.558
_diffrn_ambient_temperature      173.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Mo GeniX 3D HF'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Mo
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6844
_reflns_number_total             7685
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.045
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         7685
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0265
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²+1.0412P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0684
_refine_ls_wR_factor_ref         0.0717
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C11(H11), C14(H14),
 C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
  C25(H25), C26(H26), C27(H27), C28(H28), C29(H29)
2.b Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.62739(2) 0.77677(2) 0.12796(2) 0.02061(5) Uani 1 1 d . . . . .
P1 P 0.70490(3) 0.89614(2) 0.17149(2) 0.02134(7) Uani 1 1 d . . . . .
P2 P 0.53470(4) 0.80795(2) 0.03458(2) 0.02465(7) Uani 1 1 d . . . . .
P3 P 0.41478(4) 0.74696(2) 0.16344(2) 0.02598(8) Uani 1 1 d . . . . .
N1 N 0.82989(12) 0.71675(7) 0.13441(5) 0.0250(2) Uani 1 1 d . . . . .
C1 C 0.85551(14) 0.86069(9) 0.23131(5) 0.0261(3) Uani 1 1 d . . . . .
C2 C 0.94941(16) 0.91245(10) 0.27140(6) 0.0352(3) Uani 1 1 d . . . . .
H2 H 0.9402 0.9714 0.2677 0.042 Uiso 1 1 calc R . . . .
C3 C 1.05593(18) 0.87787(12) 0.31652(7) 0.0437(4) Uani 1 1 d . . . . .
H3 H 1.1196 0.9130 0.3440 0.052 Uiso 1 1 calc R . . . .
C4 C 1.06905(18) 0.79178(12) 0.32141(7) 0.0443(4) Uani 1 1 d . . . . .
H4 H 1.1403 0.7679 0.3529 0.053 Uiso 1 1 calc R . . . .
C5 C 0.97909(17) 0.74033(11) 0.28082(6) 0.0369(3) Uani 1 1 d . . . . .
H5 H 0.9900 0.6814 0.2844 0.044 Uiso 1 1 calc R . . . .
C6 C 0.87211(15) 0.77421(9) 0.23449(6) 0.0266(3) Uani 1 1 d . . . . .
C7 C 0.78030(15) 0.71914(8) 0.18878(6) 0.0261(3) Uani 1 1 d . . . . .
C8 C 0.79228(14) 0.64540(8) 0.09912(6) 0.0266(3) Uani 1 1 d . . . . .
C9 C 0.70479(17) 0.57776(9) 0.11207(7) 0.0360(3) Uani 1 1 d . . . . .
H9 H 0.6674 0.5769 0.1485 0.043 Uiso 1 1 calc R . . . .
C10 C 0.67013(19) 0.51055(10) 0.07274(8) 0.0437(4) Uani 1 1 d . . . . .
H10 H 0.6093 0.4656 0.0830 0.052 Uiso 1 1 calc R . . . .
C11 C 0.72172(19) 0.50837(10) 0.02019(8) 0.0427(4) Uani 1 1 d . . . . .
H11 H 0.6943 0.4631 -0.0063 0.051 Uiso 1 1 calc R . . . .
C12 C 0.81608(16) 0.57364(9) 0.00537(7) 0.0329(3) Uani 1 1 d . . . . .
C13 C 0.85387(14) 0.64193(8) 0.04490(6) 0.0269(3) Uani 1 1 d . . . . .
C14 C 0.95397(16) 0.70476(9) 0.02998(6) 0.0306(3) Uani 1 1 d . . . . .
H14 H 0.9817 0.7503 0.0562 0.037 Uiso 1 1 calc R . . . .
C15 C 1.01163(18) 0.70106(10) -0.02170(7) 0.0378(3) Uani 1 1 d . . . . .
H15 H 1.0794 0.7436 -0.0308 0.045 Uiso 1 1 calc R . . . .
C16 C 0.9710(2) 0.63469(11) -0.06134(7) 0.0431(4) Uani 1 1 d . . . . .
H16 H 1.0093 0.6331 -0.0975 0.052 Uiso 1 1 calc R . . . .
C17 C 0.87684(19) 0.57274(11) -0.04789(7) 0.0411(3) Uani 1 1 d . . . . .
H17 H 0.8512 0.5278 -0.0748 0.049 Uiso 1 1 calc R . . . .
C18 C 0.57222(14) 0.95733(8) 0.20745(6) 0.0248(2) Uani 1 1 d . . . . .
C19 C 0.45530(16) 1.00211(9) 0.17149(7) 0.0329(3) Uani 1 1 d . . . . .
H19 H 0.4569 1.0069 0.1304 0.039 Uiso 1 1 calc R . . . .
C20 C 0.33690(17) 1.03960(10) 0.19504(8) 0.0421(4) Uani 1 1 d . . . . .
H20 H 0.2579 1.0699 0.1702 0.051 Uiso 1 1 calc R . . . .
C21 C 0.33398(19) 1.03286(11) 0.25475(9) 0.0468(4) Uani 1 1 d . . . . .
H21 H 0.2509 1.0567 0.2707 0.056 Uiso 1 1 calc R . . . .
C22 C 0.4509(2) 0.99177(12) 0.29095(8) 0.0486(4) Uani 1 1 d . . . . .
H22 H 0.4508 0.9894 0.3322 0.058 Uiso 1 1 calc R . . . .
C23 C 0.56975(18) 0.95347(10) 0.26769(7) 0.0354(3) Uani 1 1 d . . . . .
H23 H 0.6496 0.9246 0.2931 0.042 Uiso 1 1 calc R . . . .
C24 C 0.81241(14) 0.97683(8) 0.13858(5) 0.0251(2) Uani 1 1 d . . . . .
C25 C 0.91594(15) 0.94771(10) 0.10339(6) 0.0322(3) Uani 1 1 d . . . . .
H25 H 0.9240 0.8894 0.0967 0.039 Uiso 1 1 calc R . . . .
C26 C 1.00719(17) 1.00316(11) 0.07813(7) 0.0388(3) Uani 1 1 d . . . . .
H26 H 1.0779 0.9827 0.0545 0.047 Uiso 1 1 calc R . . . .
C27 C 0.99533(17) 1.08808(11) 0.08728(7) 0.0402(4) Uani 1 1 d . . . . .
H27 H 1.0568 1.1261 0.0695 0.048 Uiso 1 1 calc R . . . .
C28 C 0.89404(18) 1.11758(10) 0.12227(7) 0.0375(3) Uani 1 1 d . . . . .
H28 H 0.8866 1.1759 0.1288 0.045 Uiso 1 1 calc R . . . .
C29 C 0.80274(17) 1.06239(9) 0.14807(6) 0.0312(3) Uani 1 1 d . . . . .
H29 H 0.7336 1.0832 0.1722 0.037 Uiso 1 1 calc R . . . .
C30 C 0.3691(2) 0.87859(13) 0.01980(7) 0.0521(5) Uani 1 1 d . . . . .
H30A H 0.2808 0.8537 0.0345 0.078 Uiso 1 1 calc GR . . . .
H30B H 0.3413 0.8880 -0.0228 0.078 Uiso 1 1 calc GR . . . .
H30C H 0.3961 0.9320 0.0398 0.078 Uiso 1 1 calc GR . . . .
C31 C 0.6593(2) 0.85663(12) -0.01158(7) 0.0474(4) Uani 1 1 d . . . . .
H31A H 0.6953 0.9109 0.0052 0.071 Uiso 1 1 calc GR . . . .
H31B H 0.6007 0.8647 -0.0515 0.071 Uiso 1 1 calc GR . . . .
H31C H 0.7488 0.8205 -0.0132 0.071 Uiso 1 1 calc GR . . . .
C32 C 0.4622(2) 0.72024(10) -0.01335(7) 0.0408(3) Uani 1 1 d . . . . .
H32A H 0.5467 0.6806 -0.0148 0.061 Uiso 1 1 calc GR . . . .
H32B H 0.4226 0.7410 -0.0532 0.061 Uiso 1 1 calc GR . . . .
H32C H 0.3785 0.6922 0.0023 0.061 Uiso 1 1 calc GR . . . .
C33 C 0.25158(18) 0.81866(11) 0.16183(9) 0.0473(4) Uani 1 1 d . . . . .
H33A H 0.2809 0.8635 0.1906 0.071 Uiso 1 1 calc GR . . . .
H33B H 0.1625 0.7881 0.1717 0.071 Uiso 1 1 calc GR . . . .
H33C H 0.2239 0.8428 0.1223 0.071 Uiso 1 1 calc GR . . . .
C34 C 0.31189(18) 0.65468(10) 0.12928(7) 0.0395(3) Uani 1 1 d . . . . .
H34A H 0.2812 0.6641 0.0868 0.059 Uiso 1 1 calc GR . . . .
H34B H 0.2192 0.6448 0.1469 0.059 Uiso 1 1 calc GR . . . .
H34C H 0.3802 0.6059 0.1360 0.059 Uiso 1 1 calc GR . . . .
C35 C 0.4432(2) 0.71840(12) 0.24157(7) 0.0444(4) Uani 1 1 d . . . . .
H35A H 0.5064 0.6676 0.2480 0.067 Uiso 1 1 calc GR . . . .
H35B H 0.3422 0.7082 0.2532 0.067 Uiso 1 1 calc GR . . . .
H35C H 0.4961 0.7640 0.2654 0.067 Uiso 1 1 calc GR . . . .
H7 H 0.7476(18) 0.6660(11) 0.2043(7) 0.032(4) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P1 2.2085(4) . ?
Co1 P2 2.2174(4) . ?
Co1 P3 2.2105(4) . ?
Co1 N1 1.9994(11) . ?
Co1 C7 1.9879(13) . ?
P1 C1 1.8236(13) . ?
P1 C18 1.8237(13) . ?
P1 C24 1.8369(13) . ?
P2 C30 1.8239(16) . ?
P2 C31 1.8237(16) . ?
P2 C32 1.8294(15) . ?
P3 C33 1.8281(16) . ?
P3 C34 1.8344(15) . ?
P3 C35 1.8289(16) . ?
N1 C7 1.3935(17) . ?
N1 C8 1.4066(17) . ?
C1 C2 1.3963(19) . ?
C1 C6 1.3924(19) . ?
C2 C3 1.385(2) . ?
C3 C4 1.386(3) . ?
C4 C5 1.384(2) . ?
C5 C6 1.4005(18) . ?
C6 C7 1.4952(19) . ?
C8 C9 1.388(2) . ?
C8 C13 1.4430(18) . ?
C9 C10 1.404(2) . ?
C10 C11 1.362(2) . ?
C11 C12 1.410(2) . ?
C12 C13 1.4237(19) . ?
C12 C17 1.418(2) . ?
C13 C14 1.415(2) . ?
C14 C15 1.371(2) . ?
C15 C16 1.405(2) . ?
C16 C17 1.359(2) . ?
C18 C19 1.3972(18) . ?
C18 C23 1.3909(19) . ?
C19 C20 1.387(2) . ?
C20 C21 1.382(3) . ?
C21 C22 1.370(3) . ?
C22 C23 1.392(2) . ?
C24 C25 1.3959(19) . ?
C24 C29 1.3917(19) . ?
C25 C26 1.387(2) . ?
C26 C27 1.382(2) . ?
C27 C28 1.380(2) . ?
C28 C29 1.3914(19) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Co1 P2 106.061(14) . . ?
P1 Co1 P3 103.391(14) . . ?
P3 Co1 P2 102.468(14) . . ?
N1 Co1 P1 100.55(3) . . ?
N1 Co1 P2 110.56(3) . . ?
N1 Co1 P3 131.43(3) . . ?
C7 Co1 P1 88.04(4) . . ?
C7 Co1 P2 151.04(4) . . ?
C7 Co1 P3 98.49(4) . . ?
C7 Co1 N1 40.91(5) . . ?
C1 P1 Co1 101.44(5) . . ?
C1 P1 C18 105.02(6) . . ?
C1 P1 C24 100.04(6) . . ?
C18 P1 Co1 120.02(4) . . ?
C18 P1 C24 102.80(6) . . ?
C24 P1 Co1 124.09(4) . . ?
C30 P2 Co1 117.76(6) . . ?
C30 P2 C32 100.47(8) . . ?
C31 P2 Co1 120.30(5) . . ?
C31 P2 C30 99.40(9) . . ?
C31 P2 C32 99.04(9) . . ?
C32 P2 Co1 116.20(6) . . ?
C33 P3 Co1 124.22(5) . . ?
C33 P3 C34 99.93(8) . . ?
C33 P3 C35 98.60(9) . . ?
C34 P3 Co1 113.47(5) . . ?
C35 P3 Co1 115.91(6) . . ?
C35 P3 C34 101.11(8) . . ?
C7 N1 Co1 69.10(7) . . ?
C7 N1 C8 117.51(11) . . ?
C8 N1 Co1 103.37(8) . . ?
C2 C1 P1 125.44(11) . . ?
C6 C1 P1 113.83(10) . . ?
C6 C1 C2 120.73(12) . . ?
C3 C2 C1 120.06(15) . . ?
C2 C3 C4 119.59(15) . . ?
C5 C4 C3 120.50(14) . . ?
C4 C5 C6 120.69(15) . . ?
C1 C6 C5 118.34(13) . . ?
C1 C6 C7 120.71(11) . . ?
C5 C6 C7 120.94(13) . . ?
N1 C7 Co1 69.99(7) . . ?
N1 C7 C6 115.72(11) . . ?
C6 C7 Co1 115.84(9) . . ?
N1 C8 C13 116.41(12) . . ?
C9 C8 N1 126.31(13) . . ?
C9 C8 C13 117.27(13) . . ?
C8 C9 C10 121.66(15) . . ?
C11 C10 C9 121.56(15) . . ?
C10 C11 C12 119.59(14) . . ?
C11 C12 C13 119.71(14) . . ?
C11 C12 C17 121.65(14) . . ?
C17 C12 C13 118.63(14) . . ?
C12 C13 C8 120.08(13) . . ?
C14 C13 C8 121.49(12) . . ?
C14 C13 C12 118.42(13) . . ?
C15 C14 C13 121.10(14) . . ?
C14 C15 C16 120.36(15) . . ?
C17 C16 C15 119.95(15) . . ?
C16 C17 C12 121.51(15) . . ?
C19 C18 P1 117.78(10) . . ?
C23 C18 P1 123.29(10) . . ?
C23 C18 C19 118.44(12) . . ?
C20 C19 C18 120.76(14) . . ?
C21 C20 C19 119.87(15) . . ?
C22 C21 C20 120.05(14) . . ?
C21 C22 C23 120.48(16) . . ?
C18 C23 C22 120.32(15) . . ?
C25 C24 P1 115.78(10) . . ?
C29 C24 P1 125.30(10) . . ?
C29 C24 C25 118.86(12) . . ?
C26 C25 C24 120.55(14) . . ?
C27 C26 C25 120.09(15) . . ?
C28 C27 C26 119.88(14) . . ?
C27 C28 C29 120.42(15) . . ?
C28 C29 C24 120.18(14) . . ?

_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_170213f_0m
_database_code_depnum_ccdc_archive 'CCDC 1534556'
_audit_update_record             
;
2017-02-24 deposited with the CCDC.
2018-02-06 downloaded from the CCDC.
;
_audit_creation_date             2017-02-24
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_systematic        2017Li01
_chemical_formula_moiety         '4(C34 H30 Co N O2 P2)'
_chemical_formula_sum            'C136 H120 Co4 N4 O8 P8'
_chemical_formula_weight         2422.01
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00346 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Co 0.35647 0.96397 12.28410 7.34090 4.00340 2.34880 4.27910 0.27840 13.53590
71.16920 1.01180005074
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01155 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00652 0.00322 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10417 0.09652 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_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_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   10.289(2)
_cell_length_b                   15.896(3)
_cell_length_c                   18.982(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.414(2)
_cell_angle_gamma                90
_cell_volume                     3006.6(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2349
_cell_measurement_temperature    297
_cell_measurement_theta_max      23.066
_cell_measurement_theta_min      2.216
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  0.9113
_exptl_absorpt_correction_T_min  .7329
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.3376
_exptl_crystal_description       block
_exptl_crystal_F_000             1258.6669
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.09
_diffrn_reflns_av_R_equivalents  0.0699
_diffrn_reflns_av_unetI/netI     0.0913
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21174
_diffrn_reflns_theta_full        27.5042
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.9938
_diffrn_measured_fraction_theta_max 0.9938
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -13
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              24
_reflns_limit_l_min              0
_reflns_number_gt                4257
_reflns_number_total             6896
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.8024
_refine_diff_density_min         -0.6804
_refine_diff_density_rms         0.1729
_refine_ls_d_res_high            0.7687
_refine_ls_d_res_low             12.0242
_refine_ls_goodness_of_fit_ref   1.0430
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    54
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6896
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1045
_refine_ls_R_factor_gt           0.0483
_refine_ls_restrained_S_all      1.0430
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0304P)²+0.9919P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0835
_refine_ls_wR_factor_ref         0.1048
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H5(0) H5(0)
3.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C25(H25), C24(H24), C23(H23), C22(H22),
 C21(H21), C31(H31), C30(H30), C29(H29), C28(H28), C27(H27), C13(H13), C12(H12),
  C11(H11), C18(H18), C15(H15), C16(H16), C17(H17)
3.b Idealised Me refined as rotating group:
 C32(H32a,H32b,H32c), C33(H33a,H33b,H33c), C34(H34a,H34b,H34c)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
_atom_site_disorder_group
Co1 Co 0.26821(4) 0.20074(3) 0.443389(19) 0.02210(12) Uani 1.000000 . .
P1 P 0.27041(9) 0.12638(5) 0.54182(4) 0.0300(2) Uani 1.000000 . .
P2 P 0.20083(8) 0.32025(5) 0.48039(4) 0.02299(19) Uani 1.000000 . .
O1 O 0.5551(2) 0.17048(15) 0.46828(12) 0.0434(6) Uani 1.000000 . .
O2 O 0.0600(2) 0.09165(16) 0.36144(13) 0.0490(7) Uani 1.000000 . .
N1 N 0.3121(2) 0.24698(15) 0.29839(12) 0.0251(6) Uani 1.000000 . .
C1 C 0.4421(4) 0.18391(19) 0.45683(15) 0.0284(8) Uani 1.000000 . .
C2 C 0.1412(3) 0.1369(2) 0.39396(16) 0.0285(8) Uani 1.000000 . .
C3 C 0.2561(3) 0.26199(18) 0.34993(14) 0.0210(7) Uani 1.000000 . .
C4 C 0.1618(3) 0.33526(18) 0.33586(15) 0.0216(7) Uani 1.000000 . .
C5 C 0.1227(3) 0.37108(18) 0.39438(15) 0.0222(7) Uani 1.000000 . .
C6 C 0.0320(3) 0.43737(19) 0.38285(17) 0.0315(8) Uani 1.000000 . 1
C7 C -0.0209(3) 0.4670(2) 0.31319(18) 0.0374(9) Uani 1.000000 . .
C8 C 0.0178(3) 0.4317(2) 0.25537(17) 0.0363(9) Uani 1.000000 . .
C9 C 0.1090(3) 0.36654(19) 0.26620(16) 0.0296(8) Uani 1.000000 . .
C10 C 0.3973(3) 0.17951(19) 0.29413(14) 0.0246(7) Uani 1.000000 . .
C11 C 0.3529(3) 0.0978(2) 0.28595(15) 0.0303(8) Uani 1.000000 . .
C12 C 0.4370(4) 0.0326(2) 0.27487(16) 0.0348(9) Uani 1.000000 . .
C13 C 0.5652(4) 0.0485(2) 0.27276(16) 0.0366(9) Uani 1.000000 . .
C14 C 0.6168(4) 0.1311(2) 0.28095(15) 0.0299(8) Uani 1.000000 . .
C15 C 0.7503(4) 0.1500(3) 0.27950(16) 0.0393(9) Uani 1.000000 . .
C16 C 0.7971(4) 0.2303(3) 0.28765(18) 0.0438(10) Uani 1.000000 . .
C17 C 0.7125(4) 0.2961(2) 0.29664(17) 0.0391(9) Uani 1.000000 . .
C18 C 0.5832(3) 0.2803(2) 0.29861(16) 0.0325(8) Uani 1.000000 . .
C19 C 0.5316(3) 0.1978(2) 0.29125(14) 0.0253(7) Uani 1.000000 . .
C20 C 0.3197(3) 0.39792(19) 0.53033(14) 0.0234(7) Uani 1.000000 . .
C21 C 0.2797(3) 0.4795(2) 0.54076(16) 0.0296(8) Uani 1.000000 . .
C22 C 0.3727(4) 0.5392(2) 0.57432(17) 0.0363(9) Uani 1.000000 . .
C23 C 0.5064(4) 0.5178(2) 0.59841(16) 0.0349(9) Uani 1.000000 . .
C24 C 0.5469(3) 0.4373(2) 0.58945(16) 0.0360(9) Uani 1.000000 . .
C25 C 0.4544(3) 0.3773(2) 0.55536(15) 0.0295(8) Uani 1.000000 . .
C26 C 0.0701(3) 0.31913(18) 0.52996(15) 0.0247(7) Uani 1.000000 . .
C27 C 0.0984(3) 0.33150(19) 0.60458(16) 0.0287(8) Uani 1.000000 . .
C28 C 0.0010(4) 0.3176(2) 0.64229(18) 0.0366(9) Uani 1.000000 . .
C29 C -0.1251(4) 0.2929(2) 0.6059(2) 0.0455(10) Uani 1.000000 . .
C30 C -0.1561(4) 0.2815(2) 0.5314(2) 0.0450(10) Uani 1.000000 . .
C31 C -0.0588(3) 0.2941(2) 0.49373(17) 0.0335(8) Uani 1.000000 . .
C32 C 0.3725(4) 0.1659(2) 0.62743(16) 0.0417(10) Uani 1.000000 . .
C33 C 0.1109(4) 0.1037(2) 0.56199(18) 0.0412(9) Uani 1.000000 . .
C34 C 0.3363(4) 0.0217(2) 0.53673(17) 0.0455(10) Uani 1.000000 . .
H6 H 0.0069(3) 0.46182(19) 0.42199(17) 0.0378(9) Uiso 1.000000 R 1
H7 H -0.0827(3) 0.5108(2) 0.30534(18) 0.0449(10) Uiso 1.000000 R .
H8 H -0.0179(3) 0.4519(2) 0.20859(17) 0.0436(10) Uiso 1.000000 R .
H9 H 0.1352(3) 0.34347(19) 0.22687(16) 0.0355(9) Uiso 1.000000 R .
H25 H 0.4828(3) 0.3229(2) 0.54924(15) 0.0354(9) Uiso 1.000000 R .
H24 H 0.6369(3) 0.4227(2) 0.60630(16) 0.0432(10) Uiso 1.000000 R .
H23 H 0.5689(4) 0.5580(2) 0.62066(16) 0.0419(10) Uiso 1.000000 R .
H22 H 0.3450(4) 0.5938(2) 0.58063(17) 0.0436(10) Uiso 1.000000 R .
H21 H 0.1896(3) 0.4942(2) 0.52504(16) 0.0355(9) Uiso 1.000000 R .
H31 H -0.0796(3) 0.2857(2) 0.44368(17) 0.0402(10) Uiso 1.000000 R .
H30 H -0.2423(4) 0.2653(2) 0.5066(2) 0.0540(12) Uiso 1.000000 R .
H29 H -0.1902(4) 0.2838(2) 0.6314(2) 0.0546(12) Uiso 1.000000 R .
H28 H 0.0215(4) 0.3250(2) 0.69245(18) 0.0439(10) Uiso 1.000000 R .
H27 H 0.1835(3) 0.34930(19) 0.62955(16) 0.0344(9) Uiso 1.000000 R .
H13 H 0.6201(4) 0.0044(2) 0.26581(16) 0.0439(11) Uiso 1.000000 R .
H12 H 0.4044(4) -0.0222(2) 0.26890(16) 0.0417(10) Uiso 1.000000 R .
H11 H 0.2654(3) 0.0856(2) 0.28781(15) 0.0364(9) Uiso 1.000000 R .
H18 H 0.5282(3) 0.3247(2) 0.30490(16) 0.0390(10) Uiso 1.000000 R .
H15 H 0.8070(4) 0.1068(3) 0.27285(16) 0.0471(11) Uiso 1.000000 R .
H16 H 0.8857(4) 0.2415(3) 0.28725(18) 0.0526(12) Uiso 1.000000 R .
H17 H 0.7446(4) 0.3511(2) 0.30130(17) 0.0469(10) Uiso 1.000000 R .
H32a H 0.4645(5) 0.1690(13) 0.6251(4) 0.0626(14) Uiso 1.000000 GR .
H32b H 0.3419(14) 0.2210(6) 0.6364(6) 0.0626(14) Uiso 1.000000 GR .
H32c H 0.3651(17) 0.1288(7) 0.6661(2) 0.0626(14) Uiso 1.000000 GR .
H33a H 0.0718(10) 0.1551(3) 0.5736(11) 0.0619(14) Uiso 1.000000 GR .
H33b H 0.0517(8) 0.0781(12) 0.5204(4) 0.0619(14) Uiso 1.000000 GR .
H33c H 0.1248(4) 0.0660(10) 0.6027(7) 0.0619(14) Uiso 1.000000 GR .
H34a H 0.2863(14) -0.0056(5) 0.4933(6) 0.0682(15) Uiso 1.000000 GR .
H34b H 0.4290(7) 0.0253(2) 0.5357(12) 0.0682(15) Uiso 1.000000 GR .
H34c H 0.329(2) -0.0102(5) 0.5785(6) 0.0682(15) Uiso 1.000000 GR .


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 2.2063(9) . ?
Co1 P2 2.1966(9) . ?
Co1 C1 1.763(4) . ?
Co1 C2 1.735(3) . ?
Co1 C3 2.000(3) . ?
P1 C32 1.814(3) . ?
P1 C33 1.811(3) . ?
P1 C34 1.808(3) . ?
P2 C5 1.820(3) . ?
P2 C20 1.828(3) . ?
P2 C26 1.824(3) . ?
O1 C1 1.148(4) . ?
O2 C2 1.157(4) . ?
N1 C3 1.275(3) . ?
N1 C10 1.400(4) . ?
C3 C4 1.497(4) . ?
C4 C5 1.394(4) . ?
C4 C9 1.390(4) . ?
C5 C6 1.388(4) . ?
C6 C7 1.381(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.377(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.377(4) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.373(4) . ?
C10 C19 1.426(4) . ?
C11 C12 1.399(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.354(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.409(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.413(4) . ?
C14 C19 1.420(4) . ?
C15 C16 1.359(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.399(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.363(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.409(4) . ?
C18 H18 0.9300 . ?
C20 C21 1.390(4) . ?
C20 C25 1.388(4) . ?
C21 C22 1.385(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.371(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.388(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.387(4) . ?
C26 C31 1.391(4) . ?
C27 C28 1.387(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.366(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.383(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.382(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 H32a 0.9600 . ?
C32 H32b 0.9600 . ?
C32 H32c 0.9600 . ?
C33 H33a 0.9600 . ?
C33 H33b 0.9600 . ?
C33 H33c 0.9600 . ?
C34 H34a 0.9600 . ?
C34 H34b 0.9600 . ?
C34 H34c 0.9600 . ?

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
P2 Co1 P1 97.47(3) . . ?
C1 Co1 P1 90.00(10) . . ?
C1 Co1 P2 118.33(10) . . ?
C2 Co1 P1 89.54(10) . . ?
C2 Co1 P2 115.07(11) . . ?
C2 Co1 C1 126.17(14) . . ?
C3 Co1 P1 175.69(9) . . ?
C3 Co1 P2 84.71(8) . . ?
C3 Co1 C1 92.23(13) . . ?
C3 Co1 C2 86.16(12) . . ?
C32 P1 Co1 117.04(12) . . ?
C33 P1 Co1 117.82(11) . . ?
C33 P1 C32 103.45(16) . . ?
C34 P1 Co1 111.87(11) . . ?
C34 P1 C32 103.04(16) . . ?
C34 P1 C33 101.53(17) . . ?
C5 P2 Co1 101.61(10) . . ?
C20 P2 Co1 121.76(11) . . ?
C20 P2 C5 104.75(13) . . ?
C26 P2 Co1 119.25(10) . . ?
C26 P2 C5 104.42(14) . . ?
C26 P2 C20 102.89(13) . . ?
C10 N1 C3 126.6(2) . . ?
O1 C1 Co1 176.8(3) . . ?
O2 C2 Co1 177.3(3) . . ?
N1 C3 Co1 130.5(2) . . ?
C4 C3 Co1 115.55(19) . . ?
C4 C3 N1 113.9(2) . . ?
C5 C4 C3 118.6(2) . . ?
C9 C4 C3 122.0(3) . . ?
C9 C4 C5 119.3(3) . . ?
C4 C5 P2 112.5(2) . . ?
C7 C6 C5 119.9(3) . . ?
H7 C7 C8 119.97(19) . . ?
C9 C8 C7 120.6(3) . . ?
H8 C8 C7 119.71(19) . . ?
H8 C8 C9 119.71(18) . . ?
C8 C9 C4 120.1(3) . . ?
H9 C9 C4 119.96(18) . . ?
H9 C9 C8 119.96(18) . . ?
C11 C10 N1 122.4(3) . . ?
C19 C10 N1 118.2(3) . . ?
C19 C10 C11 119.1(3) . . ?
C12 C11 C10 121.2(3) . . ?
H11 C11 C10 119.42(19) . . ?
H11 C11 C12 119.4(2) . . ?
C13 C12 C11 120.6(3) . . ?
H12 C12 C11 119.7(2) . . ?
H12 C12 C13 119.7(2) . . ?
C14 C13 C12 120.9(3) . . ?
H13 C13 C12 119.5(2) . . ?
H13 C13 C14 119.5(2) . . ?
C15 C14 C13 122.5(3) . . ?
C19 C14 C13 118.8(3) . . ?
C19 C14 C15 118.6(3) . . ?
C16 C15 C14 121.1(3) . . ?
H15 C15 C14 119.4(2) . . ?
H15 C15 C16 119.4(2) . . ?
C17 C16 C15 120.1(3) . . ?
H16 C16 C15 119.9(2) . . ?
H16 C16 C17 119.9(2) . . ?
C18 C17 C16 120.5(3) . . ?
H17 C17 C16 119.8(2) . . ?
H17 C17 C18 119.8(2) . . ?
C19 C18 C17 121.0(3) . . ?
H18 C18 C17 119.5(2) . . ?
H18 C18 C19 119.51(19) . . ?
C14 C19 C10 119.3(3) . . ?
C18 C19 C10 122.0(3) . . ?
C18 C19 C14 118.6(3) . . ?
C21 C20 P2 121.4(2) . . ?
C25 C20 P2 120.0(2) . . ?
C25 C20 C21 118.5(3) . . ?
C22 C21 C20 120.7(3) . . ?
H21 C21 C20 119.67(19) . . ?
H21 C21 C22 119.7(2) . . ?
C23 C22 C21 120.1(3) . . ?
H22 C22 C21 119.9(2) . . ?
H22 C22 C23 119.9(2) . . ?
C24 C23 C22 119.8(3) . . ?
H23 C23 C22 120.1(2) . . ?
H23 C23 C24 120.1(2) . . ?
C25 C24 C23 120.3(3) . . ?
H24 C24 C23 119.8(2) . . ?
H24 C24 C25 119.8(2) . . ?
C24 C25 C20 120.5(3) . . ?
H25 C25 C20 119.73(18) . . ?
H25 C25 C24 119.7(2) . . ?
C27 C26 P2 122.1(2) . . ?
C31 C26 P2 118.8(2) . . ?
C31 C26 C27 118.5(3) . . ?
C28 C27 C26 120.6(3) . . ?
H27 C27 C26 119.69(19) . . ?
H27 C27 C28 119.7(2) . . ?
C29 C28 C27 120.1(3) . . ?
H28 C28 C27 119.9(2) . . ?
H28 C28 C29 119.9(2) . . ?
C30 C29 C28 120.2(3) . . ?
H29 C29 C28 119.9(2) . . ?
H29 C29 C30 119.9(2) . . ?
C31 C30 C29 119.8(3) . . ?
H30 C30 C29 120.1(2) . . ?
H30 C30 C31 120.1(2) . . ?
C30 C31 C26 120.7(3) . . ?
H31 C31 C26 119.66(17) . . ?
H31 C31 C30 119.7(2) . . ?
H32a C32 P1 109.5 . . ?
H32b C32 P1 109.5 . . ?
H32b C32 H32a 109.5 . . ?
H32c C32 P1 109.5 . . ?
H32c C32 H32a 109.5 . . ?
H32c C32 H32b 109.5 . . ?
H33a C33 P1 109.5 . . ?
H33b C33 P1 109.5 . . ?
H33b C33 H33a 109.5 . . ?
H33c C33 P1 109.5 . . ?
H33c C33 H33a 109.5 . . ?
H33c C33 H33b 109.5 . . ?
H34a C34 P1 109.5 . . ?
H34b C34 P1 109.5 . . ?
H34b C34 H34a 109.5 . . ?
H34c C34 P1 109.5 . . ?
H34c C34 H34a 109.5 . . ?
H34c C34 H34b 109.5 . . ?

_olex2_submission_original_sample_id 2017Li01
_olex2_submission_special_instructions 'No special instructions were received'
