# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

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

data_complex6
_database_code_depnum_ccdc_archive 'CCDC 1028669'
_audit_update_record             
;
2014-10-11 deposited with the CCDC.
2015-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H51 Co N2 P4'
_chemical_formula_weight         766.66

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   12.548(12)
_cell_length_b                   10.357(11)
_cell_length_c                   32.36(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.749(19)
_cell_angle_gamma                90.00
_cell_volume                     4167(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    1469
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      19.06

_exptl_crystal_description       rod
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.222
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    0.596
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24400
_diffrn_reflns_av_R_equivalents  0.1261
_diffrn_reflns_av_unetI/netI     0.1933
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         1.83
_diffrn_reflns_theta_max         27.82
_reflns_number_total             9602
_reflns_number_gt                4084
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9602
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2022
_refine_ls_R_factor_gt           0.1003
_refine_ls_wR_factor_ref         0.3505
_refine_ls_wR_factor_gt          0.2801
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_restrained_S_all      0.955
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.45088(8) 0.05461(10) 0.17363(3) 0.0317(3) Uani 1 1 d . . .
N1 N 0.4224(5) 0.1644(6) 0.0751(2) 0.0371(16) Uani 1 1 d . . .
C1 C 0.7012(7) 0.0113(10) 0.2251(3) 0.058(3) Uani 1 1 d . . .
H1A H 0.7565 -0.0498 0.2349 0.086 Uiso 1 1 calc R . .
H1B H 0.6801 0.0573 0.2485 0.086 Uiso 1 1 calc R . .
H1C H 0.7281 0.0713 0.2064 0.086 Uiso 1 1 calc R . .
C2 C 0.6589(8) -0.1893(10) 0.1675(3) 0.064(3) Uani 1 1 d . . .
H2A H 0.7141 -0.2322 0.1859 0.097 Uiso 1 1 calc R . .
H2B H 0.6909 -0.1428 0.1466 0.097 Uiso 1 1 calc R . .
H2C H 0.6093 -0.2520 0.1542 0.097 Uiso 1 1 calc R . .
C3 C 0.5604(9) -0.1907(10) 0.2383(3) 0.065(3) Uani 1 1 d . . .
H3A H 0.6242 -0.2407 0.2465 0.097 Uiso 1 1 calc R . .
H3B H 0.5026 -0.2470 0.2274 0.097 Uiso 1 1 calc R . .
H3C H 0.5412 -0.1454 0.2621 0.097 Uiso 1 1 calc R . .
C4 C 0.1974(7) -0.0930(8) 0.1422(3) 0.043(2) Uani 1 1 d . . .
H4A H 0.1335 -0.1190 0.1533 0.064 Uiso 1 1 calc R . .
H4B H 0.2300 -0.1671 0.1312 0.064 Uiso 1 1 calc R . .
H4C H 0.1791 -0.0309 0.1204 0.064 Uiso 1 1 calc R . .
C5 C 0.2880(7) -0.1426(9) 0.2235(3) 0.052(2) Uani 1 1 d . . .
H5A H 0.2147 -0.1671 0.2248 0.078 Uiso 1 1 calc R . .
H5B H 0.3190 -0.1086 0.2501 0.078 Uiso 1 1 calc R . .
H5C H 0.3282 -0.2169 0.2169 0.078 Uiso 1 1 calc R . .
C6 C 0.2058(7) 0.0976(8) 0.2038(3) 0.047(2) Uani 1 1 d . . .
H6A H 0.1384 0.0581 0.2073 0.071 Uiso 1 1 calc R . .
H6B H 0.1933 0.1680 0.1844 0.071 Uiso 1 1 calc R . .
H6C H 0.2399 0.1293 0.2302 0.071 Uiso 1 1 calc R . .
C7 C 0.3878(6) -0.0964(7) 0.0764(2) 0.0319(17) Uani 1 1 d . . .
C8 C 0.3887(7) -0.2177(8) 0.0931(3) 0.046(2) Uani 1 1 d . . .
H8A H 0.4197 -0.2306 0.1206 0.055 Uiso 1 1 calc R . .
C9 C 0.3442(7) -0.3217(8) 0.0700(3) 0.050(2) Uani 1 1 d . . .
H9A H 0.3456 -0.4041 0.0815 0.060 Uiso 1 1 calc R . .
C10 C 0.2987(8) -0.3003(9) 0.0300(3) 0.054(2) Uani 1 1 d . . .
H10A H 0.2676 -0.3690 0.0143 0.064 Uiso 1 1 calc R . .
C11 C 0.2975(7) -0.1809(10) 0.0126(3) 0.055(2) Uani 1 1 d . . .
H11A H 0.2669 -0.1684 -0.0149 0.066 Uiso 1 1 calc R . .
C12 C 0.3412(7) -0.0800(8) 0.0357(3) 0.043(2) Uani 1 1 d . . .
H12A H 0.3397 0.0018 0.0238 0.052 Uiso 1 1 calc R . .
C13 C 0.5933(6) 0.0070(8) 0.0944(2) 0.0360(18) Uani 1 1 d . . .
C14 C 0.6203(7) -0.0893(8) 0.0678(3) 0.042(2) Uani 1 1 d . . .
H14A H 0.5673 -0.1420 0.0538 0.051 Uiso 1 1 calc R . .
C15 C 0.7276(8) -0.1061(9) 0.0624(3) 0.052(2) Uani 1 1 d . . .
H15A H 0.7462 -0.1705 0.0447 0.062 Uiso 1 1 calc R . .
C16 C 0.8043(7) -0.0311(10) 0.0824(3) 0.054(2) Uani 1 1 d . . .
H16A H 0.8759 -0.0463 0.0794 0.065 Uiso 1 1 calc R . .
C17 C 0.7792(7) 0.0667(10) 0.1069(3) 0.057(3) Uani 1 1 d . . .
H17A H 0.8330 0.1211 0.1195 0.068 Uiso 1 1 calc R . .
C18 C 0.6761(7) 0.0858(8) 0.1132(3) 0.044(2) Uani 1 1 d . . .
H18A H 0.6600 0.1530 0.1304 0.053 Uiso 1 1 calc R . .
C19 C 0.4793(7) 0.2024(8) 0.0429(2) 0.040(2) Uani 1 1 d . . .
H19A H 0.5430 0.1658 0.0368 0.048 Uiso 1 1 calc R . .
C20 C 0.4270(7) 0.3001(8) 0.0225(3) 0.043(2) Uani 1 1 d . . .
H20A H 0.4480 0.3435 -0.0002 0.052 Uiso 1 1 calc R . .
C21 C 0.3353(7) 0.3261(8) 0.0411(3) 0.042(2) Uani 1 1 d . . .
H21A H 0.2847 0.3900 0.0329 0.050 Uiso 1 1 calc R . .
C22 C 0.3326(6) 0.2422(7) 0.0731(2) 0.0355(18) Uani 1 1 d . . .
C23 C 0.2495(6) 0.2355(7) 0.1023(2) 0.0354(18) Uani 1 1 d . . .
H23A H 0.2612 0.1562 0.1188 0.042 Uiso 1 1 calc R . .
C24 C 0.1344(6) 0.2311(8) 0.0777(3) 0.043(2) Uani 1 1 d . . .
H24A H 0.1219 0.3156 0.0643 0.051 Uiso 1 1 calc R . .
C25 C 0.1209(7) 0.1307(9) 0.0427(3) 0.056(3) Uani 1 1 d . . .
H25A H 0.0485 0.1336 0.0287 0.085 Uiso 1 1 calc R . .
H25B H 0.1356 0.0463 0.0543 0.085 Uiso 1 1 calc R . .
H25C H 0.1701 0.1493 0.0232 0.085 Uiso 1 1 calc R . .
C26 C 0.0473(7) 0.2137(10) 0.1056(3) 0.066(3) Uani 1 1 d . . .
H26A H -0.0219 0.2130 0.0889 0.099 Uiso 1 1 calc R . .
H26B H 0.0506 0.2837 0.1252 0.099 Uiso 1 1 calc R . .
H26C H 0.0583 0.1334 0.1204 0.099 Uiso 1 1 calc R . .
C27 C 0.2640(6) 0.3476(7) 0.1313(3) 0.0385(19) Uani 1 1 d . . .
C28 C 0.2002(7) 0.4511(8) 0.1346(3) 0.047(2) Uani 1 1 d . . .
H28A H 0.1323 0.4640 0.1197 0.056 Uiso 1 1 calc R . .
C29 C 0.2525(7) 0.5344(8) 0.1638(3) 0.050(2) Uani 1 1 d . . .
H29A H 0.2274 0.6143 0.1714 0.060 Uiso 1 1 calc R . .
C30 C 0.3471(8) 0.4786(8) 0.1795(3) 0.049(2) Uani 1 1 d . . .
H30A H 0.3975 0.5135 0.2002 0.059 Uiso 1 1 calc R . .
C31 C 0.4891(6) 0.2566(8) 0.2265(2) 0.0369(19) Uani 1 1 d . . .
C32 C 0.5239(6) 0.3401(9) 0.2577(3) 0.047(2) Uani 1 1 d . . .
H32A H 0.5426 0.4246 0.2521 0.056 Uiso 1 1 calc R . .
C33 C 0.5308(7) 0.2946(10) 0.2992(3) 0.054(2) Uani 1 1 d . . .
H33A H 0.5542 0.3485 0.3216 0.064 Uiso 1 1 calc R . .
C34 C 0.5024(7) 0.1705(10) 0.3056(3) 0.053(2) Uani 1 1 d . . .
H34A H 0.5051 0.1409 0.3329 0.064 Uiso 1 1 calc R . .
C35 C 0.4692(7) 0.0850(9) 0.2727(3) 0.047(2) Uani 1 1 d . . .
H35A H 0.4487 0.0012 0.2783 0.056 Uiso 1 1 calc R . .
C36 C 0.4670(6) 0.1256(8) 0.2319(2) 0.0377(19) Uani 1 1 d . . .
C37 C 0.5667(6) 0.3648(7) 0.1533(3) 0.0381(19) Uani 1 1 d . . .
C38 C 0.6704(7) 0.3642(9) 0.1759(3) 0.050(2) Uani 1 1 d . . .
H38A H 0.6847 0.3176 0.2005 0.060 Uiso 1 1 calc R . .
C39 C 0.7529(8) 0.4358(11) 0.1605(3) 0.065(3) Uani 1 1 d . . .
H39A H 0.8221 0.4358 0.1751 0.078 Uiso 1 1 calc R . .
C40 C 0.7311(9) 0.5048(10) 0.1243(3) 0.064(3) Uani 1 1 d . . .
H40A H 0.7846 0.5538 0.1146 0.077 Uiso 1 1 calc R . .
C41 C 0.6311(8) 0.5013(10) 0.1029(3) 0.062(3) Uani 1 1 d . . .
H41A H 0.6170 0.5460 0.0778 0.075 Uiso 1 1 calc R . .
C42 C 0.5490(7) 0.4322(8) 0.1175(3) 0.048(2) Uani 1 1 d . . .
H42A H 0.4807 0.4326 0.1023 0.058 Uiso 1 1 calc R . .
P1 P 0.58560(18) -0.0738(2) 0.19796(7) 0.0441(6) Uani 1 1 d . . .
P2 P 0.29204(17) -0.0206(2) 0.18371(7) 0.0355(5) Uani 1 1 d . . .
P3 P 0.45800(16) 0.03135(19) 0.10773(6) 0.0307(5) Uani 1 1 d . . .
P4 P 0.46626(16) 0.26072(19) 0.17115(6) 0.0330(5) Uani 1 1 d . . .
N2 N 0.3568(5) 0.3623(6) 0.1599(2) 0.0389(16) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C36 2.009(8) . ?
Co1 P4 2.146(3) . ?
Co1 P3 2.160(3) . ?
Co1 P2 2.205(3) . ?
Co1 P1 2.211(3) . ?
N1 C22 1.380(10) . ?
N1 C19 1.396(9) . ?
N1 P3 1.758(7) . ?
C1 P1 1.819(9) . ?
C2 P1 1.870(9) . ?
C3 P1 1.839(9) . ?
C4 P2 1.829(9) . ?
C5 P2 1.811(8) . ?
C6 P2 1.811(8) . ?
C7 C8 1.367(11) . ?
C7 C12 1.378(11) . ?
C7 P3 1.821(8) . ?
C8 C9 1.386(12) . ?
C9 C10 1.359(13) . ?
C10 C11 1.358(13) . ?
C11 C12 1.355(12) . ?
C13 C14 1.388(11) . ?
C13 C18 1.395(11) . ?
C13 P3 1.825(8) . ?
C14 C15 1.392(12) . ?
C15 C16 1.334(13) . ?
C16 C17 1.349(13) . ?
C17 C18 1.351(12) . ?
C19 C20 1.331(12) . ?
C20 C21 1.395(11) . ?
C21 C22 1.355(11) . ?
C22 C23 1.502(10) . ?
C23 C27 1.487(11) . ?
C23 C24 1.553(11) . ?
C24 C26 1.520(12) . ?
C24 C25 1.529(12) . ?
C27 C28 1.351(11) . ?
C27 N2 1.394(10) . ?
C28 C29 1.379(12) . ?
C29 C30 1.356(13) . ?
C30 N2 1.374(10) . ?
C31 C32 1.357(11) . ?
C31 C36 1.401(11) . ?
C31 P4 1.776(8) . ?
C32 C33 1.415(13) . ?
C33 C34 1.356(13) . ?
C34 C35 1.405(12) . ?
C35 C36 1.381(11) . ?
C37 C42 1.346(12) . ?
C37 C38 1.404(12) . ?
C37 P4 1.810(8) . ?
C38 C39 1.417(12) . ?
C39 C40 1.367(14) . ?
C40 C41 1.350(14) . ?
C41 C42 1.389(12) . ?
P4 N2 1.730(7) . ?

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
C36 Co1 P4 70.9(3) . . ?
C36 Co1 P3 162.8(2) . . ?
P4 Co1 P3 93.33(8) . . ?
C36 Co1 P2 88.2(2) . . ?
P4 Co1 P2 116.41(9) . . ?
P3 Co1 P2 105.38(9) . . ?
C36 Co1 P1 84.9(2) . . ?
P4 Co1 P1 122.91(11) . . ?
P3 Co1 P1 98.81(9) . . ?
P2 Co1 P1 113.45(11) . . ?
C22 N1 C19 107.3(7) . . ?
C22 N1 P3 128.7(5) . . ?
C19 N1 P3 123.8(6) . . ?
C8 C7 C12 118.2(8) . . ?
C8 C7 P3 118.0(6) . . ?
C12 C7 P3 123.6(6) . . ?
C7 C8 C9 121.2(9) . . ?
C10 C9 C8 118.3(9) . . ?
C11 C10 C9 121.5(9) . . ?
C12 C11 C10 119.5(10) . . ?
C11 C12 C7 121.2(9) . . ?
C14 C13 C18 117.4(7) . . ?
C14 C13 P3 123.9(6) . . ?
C18 C13 P3 118.6(6) . . ?
C13 C14 C15 119.3(8) . . ?
C16 C15 C14 120.8(9) . . ?
C15 C16 C17 120.8(8) . . ?
C16 C17 C18 120.2(9) . . ?
C17 C18 C13 121.4(8) . . ?
C20 C19 N1 108.4(7) . . ?
C19 C20 C21 108.3(8) . . ?
C22 C21 C20 108.2(8) . . ?
C21 C22 N1 107.8(7) . . ?
C21 C22 C23 127.0(8) . . ?
N1 C22 C23 125.2(7) . . ?
C27 C23 C22 108.9(6) . . ?
C27 C23 C24 111.9(6) . . ?
C22 C23 C24 110.8(7) . . ?
C26 C24 C25 110.0(8) . . ?
C26 C24 C23 113.1(8) . . ?
C25 C24 C23 113.7(7) . . ?
C28 C27 N2 108.1(7) . . ?
C28 C27 C23 130.2(8) . . ?
N2 C27 C23 121.6(7) . . ?
C27 C28 C29 108.6(8) . . ?
C30 C29 C28 107.6(8) . . ?
C29 C30 N2 109.1(8) . . ?
C32 C31 C36 125.0(8) . . ?
C32 C31 P4 136.7(7) . . ?
C36 C31 P4 98.1(5) . . ?
C31 C32 C33 117.8(8) . . ?
C34 C33 C32 118.5(8) . . ?
C33 C34 C35 122.6(9) . . ?
C36 C35 C34 119.9(9) . . ?
C35 C36 C31 115.8(8) . . ?
C35 C36 Co1 140.5(7) . . ?
C31 C36 Co1 103.5(5) . . ?
C42 C37 C38 118.9(8) . . ?
C42 C37 P4 122.9(6) . . ?
C38 C37 P4 117.9(7) . . ?
C37 C38 C39 119.1(9) . . ?
C40 C39 C38 120.1(9) . . ?
C41 C40 C39 119.4(9) . . ?
C40 C41 C42 121.3(10) . . ?
C37 C42 C41 121.2(9) . . ?
C1 P1 C3 100.3(5) . . ?
C1 P1 C2 98.5(5) . . ?
C3 P1 C2 95.6(5) . . ?
C1 P1 Co1 113.7(4) . . ?
C3 P1 Co1 116.9(4) . . ?
C2 P1 Co1 127.1(3) . . ?
C5 P2 C6 98.1(4) . . ?
C5 P2 C4 99.1(4) . . ?
C6 P2 C4 100.4(4) . . ?
C5 P2 Co1 117.7(3) . . ?
C6 P2 Co1 114.2(3) . . ?
C4 P2 Co1 123.1(3) . . ?
N1 P3 C7 99.8(3) . . ?
N1 P3 C13 97.8(3) . . ?
C7 P3 C13 99.4(4) . . ?
N1 P3 Co1 117.7(2) . . ?
C7 P3 Co1 123.3(3) . . ?
C13 P3 Co1 114.4(3) . . ?
N2 P4 C31 104.1(3) . . ?
N2 P4 C37 97.9(4) . . ?
C31 P4 C37 108.1(4) . . ?
N2 P4 Co1 122.7(2) . . ?
C31 P4 Co1 86.7(3) . . ?
C37 P4 Co1 132.4(3) . . ?
C30 N2 C27 106.5(7) . . ?
C30 N2 P4 123.5(6) . . ?
C27 N2 P4 129.9(5) . . ?

_diffrn_measured_fraction_theta_max 0.969
_diffrn_reflns_theta_full        27.82
_diffrn_measured_fraction_theta_full 0.969
_refine_diff_density_max         3.492
_refine_diff_density_min         -0.623
_refine_diff_density_rms         0.182
####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 1028670'
_audit_update_record             
;
2014-10-11 deposited with the CCDC.
2015-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H47 Co N2 P4'
_chemical_formula_weight         738.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   20.3187(13)
_cell_length_b                   10.3342(6)
_cell_length_c                   18.2160(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.9230(10)
_cell_angle_gamma                90.00
_cell_volume                     3755.7(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    2967
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      22.19

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1552
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8688
_exptl_absorpt_correction_T_max  0.8852
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21389
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.02
_diffrn_reflns_theta_max         27.44
_reflns_number_total             8336
_reflns_number_gt                5318
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1214P)²+2.0479P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8336
_refine_ls_number_parameters     431
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0465
_refine_ls_wR_factor_ref         0.1630
_refine_ls_wR_factor_gt          0.1258
_refine_ls_goodness_of_fit_ref   0.767
_refine_ls_restrained_S_all      0.767
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.21648(2) 0.48390(4) 0.25286(2) 0.02940(14) Uani 1 1 d . . .
P4 P 0.32010(4) 0.51663(8) 0.30129(5) 0.0318(2) Uani 1 1 d . . .
P3 P 0.19140(4) 0.29427(8) 0.20706(4) 0.0317(2) Uani 1 1 d . . .
P1 P 0.22126(5) 0.58757(9) 0.14673(5) 0.0406(2) Uani 1 1 d . . .
P2 P 0.12817(5) 0.59610(9) 0.27597(5) 0.0436(2) Uani 1 1 d . . .
N2 N 0.34273(13) 0.3829(2) 0.35756(14) 0.0348(6) Uani 1 1 d . . .
C7 C 0.25681(15) 0.1834(3) 0.18734(17) 0.0337(7) Uani 1 1 d . . .
C23 C 0.22180(16) 0.3791(3) 0.35952(16) 0.0325(7) Uani 1 1 d . . .
C13 C 0.12198(16) 0.2546(3) 0.12926(17) 0.0367(7) Uani 1 1 d . . .
C35 C 0.39039(16) 0.5154(3) 0.25056(19) 0.0385(8) Uani 1 1 d . . .
N1 N 0.16191(13) 0.2121(2) 0.27697(15) 0.0353(6) Uani 1 1 d . . .
C25 C 0.29066(16) 0.3222(3) 0.38103(17) 0.0335(7) Uani 1 1 d . . .
C8 C 0.27895(17) 0.1891(4) 0.11969(19) 0.0440(8) Uani 1 1 d . . .
H8 H 0.2567 0.2418 0.0816 0.053 Uiso 1 1 calc R . .
C14 C 0.11963(18) 0.1440(4) 0.08510(19) 0.0456(8) Uani 1 1 d . . .
H14 H 0.1549 0.0853 0.0937 0.055 Uiso 1 1 calc R . .
C24 C 0.21106(18) 0.4591(3) 0.42767(18) 0.0405(8) Uani 1 1 d . . .
H24A H 0.1670 0.4963 0.4178 0.061 Uiso 1 1 calc R . .
H24B H 0.2439 0.5269 0.4369 0.061 Uiso 1 1 calc R . .
H24C H 0.2156 0.4039 0.4707 0.061 Uiso 1 1 calc R . .
C12 C 0.29137(17) 0.1028(3) 0.24274(19) 0.0420(8) Uani 1 1 d . . .
H12 H 0.2775 0.0965 0.2884 0.050 Uiso 1 1 calc R . .
C29 C 0.34817(17) 0.6493(3) 0.36843(19) 0.0405(8) Uani 1 1 d . . .
C11 C 0.3460(2) 0.0319(4) 0.2308(2) 0.0531(10) Uani 1 1 d . . .
H11 H 0.3685 -0.0216 0.2685 0.064 Uiso 1 1 calc R . .
C22 C 0.17405(16) 0.2678(3) 0.34682(17) 0.0350(7) Uani 1 1 d . . .
C21 C 0.14294(19) 0.1928(3) 0.3923(2) 0.0482(9) Uani 1 1 d . . .
H21 H 0.1422 0.2081 0.4424 0.058 Uiso 1 1 calc R . .
C40 C 0.40513(18) 0.4007(4) 0.2172(2) 0.0474(9) Uani 1 1 d . . .
H40 H 0.3829 0.3249 0.2253 0.057 Uiso 1 1 calc R . .
C26 C 0.31736(18) 0.2234(3) 0.42778(19) 0.0424(8) Uani 1 1 d . . .
H26 H 0.2935 0.1654 0.4516 0.051 Uiso 1 1 calc R . .
C9 C 0.33344(19) 0.1176(4) 0.1083(2) 0.0533(10) Uani 1 1 d . . .
H9 H 0.3472 0.1222 0.0625 0.064 Uiso 1 1 calc R . .
C19 C 0.12440(18) 0.1012(3) 0.2788(2) 0.0479(9) Uani 1 1 d . . .
H19 H 0.1100 0.0454 0.2390 0.057 Uiso 1 1 calc R . .
C6 C 0.1414(2) 0.7276(4) 0.3464(3) 0.0736(13) Uani 1 1 d . . .
H6A H 0.0996 0.7477 0.3612 0.110 Uiso 1 1 calc R . .
H6B H 0.1579 0.8031 0.3252 0.110 Uiso 1 1 calc R . .
H6C H 0.1734 0.7001 0.3893 0.110 Uiso 1 1 calc R . .
C30 C 0.3149(2) 0.7647(4) 0.3591(2) 0.0561(10) Uani 1 1 d . . .
H30 H 0.2787 0.7749 0.3198 0.067 Uiso 1 1 calc R . .
C39 C 0.4527(2) 0.3986(4) 0.1719(2) 0.0580(11) Uani 1 1 d . . .
H39 H 0.4618 0.3216 0.1493 0.070 Uiso 1 1 calc R . .
C28 C 0.40250(18) 0.3246(4) 0.3897(2) 0.0470(9) Uani 1 1 d . . .
H28 H 0.4451 0.3485 0.3829 0.056 Uiso 1 1 calc R . .
C18 C 0.06779(18) 0.3375(4) 0.1156(2) 0.0497(9) Uani 1 1 d . . .
H18 H 0.0680 0.4109 0.1451 0.060 Uiso 1 1 calc R . .
C5 C 0.0613(2) 0.5024(4) 0.3070(3) 0.0590(11) Uani 1 1 d . . .
H5A H 0.0321 0.5602 0.3269 0.088 Uiso 1 1 calc R . .
H5B H 0.0809 0.4420 0.3449 0.088 Uiso 1 1 calc R . .
H5C H 0.0360 0.4562 0.2652 0.088 Uiso 1 1 calc R . .
C15 C 0.0650(2) 0.1209(4) 0.0283(2) 0.0551(10) Uani 1 1 d . . .
H15 H 0.0641 0.0471 -0.0011 0.066 Uiso 1 1 calc R . .
C27 C 0.38745(19) 0.2259(4) 0.4331(2) 0.0493(9) Uani 1 1 d . . .
H27 H 0.4180 0.1699 0.4614 0.059 Uiso 1 1 calc R . .
C2 C 0.2845(2) 0.5422(5) 0.0924(2) 0.0711(13) Uani 1 1 d . . .
H2A H 0.2747 0.5836 0.0444 0.107 Uiso 1 1 calc R . .
H2B H 0.2841 0.4500 0.0858 0.107 Uiso 1 1 calc R . .
H2C H 0.3279 0.5691 0.1184 0.107 Uiso 1 1 calc R . .
C37 C 0.4728(2) 0.6224(5) 0.1930(3) 0.0694(13) Uani 1 1 d . . .
H37 H 0.4953 0.6976 0.1845 0.083 Uiso 1 1 calc R . .
C36 C 0.42538(19) 0.6256(4) 0.2391(2) 0.0539(10) Uani 1 1 d . . .
H36 H 0.4173 0.7025 0.2623 0.065 Uiso 1 1 calc R . .
C4 C 0.0723(2) 0.6930(4) 0.2048(3) 0.0723(13) Uani 1 1 d . . .
H4A H 0.0524 0.6380 0.1641 0.109 Uiso 1 1 calc R . .
H4B H 0.0978 0.7598 0.1865 0.109 Uiso 1 1 calc R . .
H4C H 0.0377 0.7315 0.2268 0.109 Uiso 1 1 calc R . .
C32 C 0.3865(3) 0.8543(5) 0.4656(2) 0.0693(13) Uani 1 1 d . . .
H32 H 0.3996 0.9233 0.4979 0.083 Uiso 1 1 calc R . .
C17 C 0.01303(19) 0.3142(4) 0.0591(2) 0.0613(11) Uani 1 1 d . . .
H17 H -0.0229 0.3715 0.0509 0.074 Uiso 1 1 calc R . .
C1 C 0.1511(2) 0.5855(5) 0.0676(2) 0.0690(13) Uani 1 1 d . . .
H1A H 0.1613 0.6394 0.0284 0.103 Uiso 1 1 calc R . .
H1B H 0.1116 0.6175 0.0833 0.103 Uiso 1 1 calc R . .
H1C H 0.1434 0.4984 0.0496 0.103 Uiso 1 1 calc R . .
C38 C 0.4863(2) 0.5087(5) 0.1603(3) 0.0691(13) Uani 1 1 d . . .
H38 H 0.5184 0.5066 0.1301 0.083 Uiso 1 1 calc R . .
C10 C 0.3676(2) 0.0397(4) 0.1639(2) 0.0546(10) Uani 1 1 d . . .
H10 H 0.4048 -0.0071 0.1563 0.066 Uiso 1 1 calc R . .
C20 C 0.1123(2) 0.0881(4) 0.3490(2) 0.0541(10) Uani 1 1 d . . .
H20 H 0.0881 0.0217 0.3658 0.065 Uiso 1 1 calc R . .
C31 C 0.3348(3) 0.8677(4) 0.4081(2) 0.0733(14) Uani 1 1 d . . .
H31 H 0.3120 0.9461 0.4008 0.088 Uiso 1 1 calc R . .
C3 C 0.2391(3) 0.7612(4) 0.1545(2) 0.0744(14) Uani 1 1 d . . .
H3A H 0.2831 0.7745 0.1837 0.112 Uiso 1 1 calc R . .
H3B H 0.2066 0.8030 0.1785 0.112 Uiso 1 1 calc R . .
H3C H 0.2368 0.7972 0.1055 0.112 Uiso 1 1 calc R . .
C16 C 0.0122(2) 0.2061(5) 0.0153(2) 0.0616(12) Uani 1 1 d . . .
H16 H -0.0240 0.1906 -0.0232 0.074 Uiso 1 1 calc R . .
C34 C 0.4013(2) 0.6372(5) 0.4276(3) 0.0896(18) Uani 1 1 d . . .
H34 H 0.4251 0.5598 0.4349 0.108 Uiso 1 1 calc R . .
C33 C 0.4196(3) 0.7402(6) 0.4764(3) 0.0983(19) Uani 1 1 d . . .
H33 H 0.4548 0.7306 0.5168 0.118 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 P4 2.1497(9) . ?
Co1 P3 2.1528(9) . ?
Co1 C23 2.209(3) . ?
Co1 P1 2.2284(9) . ?
Co1 P2 2.2423(10) . ?
P4 N2 1.730(3) . ?
P4 C35 1.842(3) . ?
P4 C29 1.854(3) . ?
P3 N1 1.729(3) . ?
P3 C7 1.841(3) . ?
P3 C13 1.846(3) . ?
P1 C2 1.826(4) . ?
P1 C3 1.831(4) . ?
P1 C1 1.826(4) . ?
P2 C5 1.842(4) . ?
P2 C4 1.847(4) . ?
P2 C6 1.853(4) . ?
N2 C25 1.366(4) . ?
N2 C28 1.382(4) . ?
C7 C8 1.391(5) . ?
C7 C12 1.392(4) . ?
C23 C22 1.494(4) . ?
C23 C25 1.500(4) . ?
C23 C24 1.541(4) . ?
C13 C18 1.380(5) . ?
C13 C14 1.393(5) . ?
C35 C36 1.379(5) . ?
C35 C40 1.391(5) . ?
N1 C22 1.376(4) . ?
N1 C19 1.380(4) . ?
C25 C26 1.373(4) . ?
C8 C9 1.379(5) . ?
C8 H8 0.9300 . ?
C14 C15 1.387(5) . ?
C14 H14 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C12 C11 1.381(5) . ?
C12 H12 0.9300 . ?
C29 C30 1.365(5) . ?
C29 C34 1.380(5) . ?
C11 C10 1.373(6) . ?
C11 H11 0.9300 . ?
C22 C21 1.373(5) . ?
C21 C20 1.411(5) . ?
C21 H21 0.9300 . ?
C40 C39 1.384(5) . ?
C40 H40 0.9300 . ?
C26 C27 1.409(5) . ?
C26 H26 0.9300 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C19 C20 1.354(5) . ?
C19 H19 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C30 C31 1.399(5) . ?
C30 H30 0.9300 . ?
C39 C38 1.364(6) . ?
C39 H39 0.9300 . ?
C28 C27 1.361(5) . ?
C28 H28 0.9300 . ?
C18 C17 1.386(5) . ?
C18 H18 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C15 C16 1.373(6) . ?
C15 H15 0.9300 . ?
C27 H27 0.9300 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C37 C38 1.369(6) . ?
C37 C36 1.393(6) . ?
C37 H37 0.9300 . ?
C36 H36 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C32 C31 1.344(6) . ?
C32 C33 1.353(7) . ?
C32 H32 0.9300 . ?
C17 C16 1.371(6) . ?
C17 H17 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C38 H38 0.9300 . ?
C10 H10 0.9300 . ?
C20 H20 0.9300 . ?
C31 H31 0.9300 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C16 H16 0.9300 . ?
C34 C33 1.392(6) . ?
C34 H34 0.9300 . ?
C33 H33 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P4 Co1 P3 116.35(4) . . ?
P4 Co1 C23 80.52(9) . . ?
P3 Co1 C23 82.13(8) . . ?
P4 Co1 P1 94.60(4) . . ?
P3 Co1 P1 98.48(4) . . ?
C23 Co1 P1 174.76(9) . . ?
P4 Co1 P2 126.72(4) . . ?
P3 Co1 P2 113.85(4) . . ?
C23 Co1 P2 89.76(8) . . ?
P1 Co1 P2 94.72(4) . . ?
N2 P4 C35 98.46(14) . . ?
N2 P4 C29 100.73(15) . . ?
C35 P4 C29 99.52(15) . . ?
N2 P4 Co1 104.31(9) . . ?
C35 P4 Co1 125.80(11) . . ?
C29 P4 Co1 122.82(11) . . ?
N1 P3 C7 101.63(14) . . ?
N1 P3 C13 97.76(14) . . ?
C7 P3 C13 100.75(15) . . ?
N1 P3 Co1 104.56(9) . . ?
C7 P3 Co1 121.04(10) . . ?
C13 P3 Co1 126.17(11) . . ?
C2 P1 C3 98.3(2) . . ?
C2 P1 C1 95.4(2) . . ?
C3 P1 C1 100.7(2) . . ?
C2 P1 Co1 119.85(15) . . ?
C3 P1 Co1 116.38(15) . . ?
C1 P1 Co1 121.55(15) . . ?
C5 P2 C4 96.3(2) . . ?
C5 P2 C6 101.0(2) . . ?
C4 P2 C6 94.4(2) . . ?
C5 P2 Co1 116.66(13) . . ?
C4 P2 Co1 123.75(16) . . ?
C6 P2 Co1 119.56(15) . . ?
C25 N2 C28 109.7(3) . . ?
C25 N2 P4 114.7(2) . . ?
C28 N2 P4 135.4(2) . . ?
C8 C7 C12 117.7(3) . . ?
C8 C7 P3 120.9(3) . . ?
C12 C7 P3 121.0(2) . . ?
C22 C23 C25 106.5(3) . . ?
C22 C23 C24 110.5(3) . . ?
C25 C23 C24 105.5(3) . . ?
C22 C23 Co1 108.6(2) . . ?
C25 C23 Co1 108.0(2) . . ?
C24 C23 Co1 117.1(2) . . ?
C18 C13 C14 117.8(3) . . ?
C18 C13 P3 117.9(3) . . ?
C14 C13 P3 124.3(3) . . ?
C36 C35 C40 118.5(3) . . ?
C36 C35 P4 122.7(3) . . ?
C40 C35 P4 118.5(3) . . ?
C22 N1 C19 109.1(3) . . ?
C22 N1 P3 116.7(2) . . ?
C19 N1 P3 134.1(2) . . ?
N2 C25 C26 107.3(3) . . ?
N2 C25 C23 118.5(3) . . ?
C26 C25 C23 133.9(3) . . ?
C9 C8 C7 121.0(3) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C15 C14 C13 120.5(4) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C11 C12 C7 120.9(3) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C30 C29 C34 118.2(3) . . ?
C30 C29 P4 118.7(3) . . ?
C34 C29 P4 123.1(3) . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
N1 C22 C21 107.4(3) . . ?
N1 C22 C23 117.6(3) . . ?
C21 C22 C23 134.5(3) . . ?
C22 C21 C20 107.5(3) . . ?
C22 C21 H21 126.3 . . ?
C20 C21 H21 126.3 . . ?
C35 C40 C39 120.4(4) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C25 C26 C27 107.8(3) . . ?
C25 C26 H26 126.1 . . ?
C27 C26 H26 126.1 . . ?
C10 C9 C8 120.6(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C20 C19 N1 107.8(3) . . ?
C20 C19 H19 126.1 . . ?
N1 C19 H19 126.1 . . ?
P2 C6 H6A 109.5 . . ?
P2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
P2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C29 C30 C31 120.6(4) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C38 C39 C40 120.4(4) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C27 C28 N2 107.3(3) . . ?
C27 C28 H28 126.4 . . ?
N2 C28 H28 126.4 . . ?
C17 C18 C13 121.8(4) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
P2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C28 C27 C26 108.0(3) . . ?
C28 C27 H27 126.0 . . ?
C26 C27 H27 126.0 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C38 C37 C36 120.1(4) . . ?
C38 C37 H37 119.9 . . ?
C36 C37 H37 119.9 . . ?
C35 C36 C37 120.4(4) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
P2 C4 H4A 109.5 . . ?
P2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
P2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C31 C32 C33 119.8(4) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C16 C17 C18 119.5(4) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C37 C38 C39 120.0(4) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C9 C10 C11 119.2(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C19 C20 C21 108.2(3) . . ?
C19 C20 H20 125.9 . . ?
C21 C20 H20 125.9 . . ?
C32 C31 C30 120.5(4) . . ?
C32 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C17 C16 C15 119.9(4) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C29 C34 C33 120.3(4) . . ?
C29 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C32 C33 C34 120.6(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.066
####################################################################### 
# 
# 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_complex3
_database_code_depnum_ccdc_archive 'CCDC 1028671'
_audit_update_record             
;
2014-10-11 deposited with the CCDC.
2015-02-09 downloaded from the CCDC.
;
_audit_creation_date             2014-03-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.02.28 svn.r2899 for OlexSys, GUI svn.r4781)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C38 H40 Co N2 P3'
_chemical_formula_sum            'C38 H40 Co N2 P3'
_chemical_formula_weight         676.56
_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                   10.890(7)
_cell_length_b                   16.894(12)
_cell_length_c                   18.714(14)
_cell_angle_alpha                90
_cell_angle_beta                 101.593(14)
_cell_angle_gamma                90
_cell_volume                     3373(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    603
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2030
_diffrn_reflns_av_unetI/netI     0.2727
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15711
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.639
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2085
_reflns_number_total             5783
_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        'SAINT v7.23A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.585
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5783
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.2233
_refine_ls_R_factor_gt           0.0765
_refine_ls_restrained_S_all      0.905
_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)+(0.0567P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1314
_refine_ls_wR_factor_ref         0.1855
_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
 C22A-C21
 1.55 with sigma of 0.01
 C21-C22
 1.55 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C22A \\sim C22: within 1.7A with sigma of 0.002 and sigma for terminal atoms of
0.08
4. Others
 Fixed Sof: H21A(0.5) H21B(0.5) C22(0.7) H22A(0.7) H22B(0.7) H22C(0.7)
 C22A(0.3) H22D(0.3) H22E(0.3) H22F(0.3)
5.a Riding coordinates:
 C21(H21A,H21B), C22(H22A,H22B,H22C), C22A(H22D,H22E,H22F)
5.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B)
5.c Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
5.d Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C24(H24), C25(H25), C26(H26), C27(H27),
  C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C36(H36),
 C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.76491(9) 0.23582(6) 0.21167(6) 0.0429(4) Uani 1 1 d . . . . .
C1 C 0.7158(8) 0.4180(5) 0.2743(6) 0.097(4) Uani 1 1 d . . . . .
H1A H 0.6854 0.4317 0.2241 0.145 Uiso 1 1 calc R . . . .
H1B H 0.7551 0.4633 0.3003 0.145 Uiso 1 1 calc R . . . .
H1C H 0.6470 0.4011 0.2956 0.145 Uiso 1 1 calc R . . . .
C2 C 0.8712(10) 0.3236(6) 0.3784(5) 0.104(4) Uani 1 1 d . . . . .
H2A H 0.9323 0.2820 0.3888 0.157 Uiso 1 1 calc R . . . .
H2B H 0.7980 0.3092 0.3967 0.157 Uiso 1 1 calc R . . . .
H2C H 0.9060 0.3716 0.4015 0.157 Uiso 1 1 calc R . . . .
C3 C 0.9612(8) 0.3967(5) 0.2646(6) 0.105(4) Uani 1 1 d . . . . .
H3A H 1.0319 0.3624 0.2655 0.158 Uiso 1 1 calc R . . . .
H3B H 0.9819 0.4359 0.3022 0.158 Uiso 1 1 calc R . . . .
H3C H 0.9400 0.4223 0.2179 0.158 Uiso 1 1 calc R . . . .
C4 C 0.5337(7) 0.2483(4) 0.3174(5) 0.050(2) Uani 1 1 d . . . . .
C5 C 0.4382(8) 0.2879(5) 0.2724(5) 0.060(3) Uani 1 1 d . . . . .
H5 H 0.4256 0.2814 0.2221 0.072 Uiso 1 1 calc R . . . .
C6 C 0.3592(9) 0.3383(5) 0.3029(7) 0.069(3) Uani 1 1 d . . . . .
H6 H 0.2931 0.3644 0.2729 0.083 Uiso 1 1 calc R . . . .
C7 C 0.3795(10) 0.3482(6) 0.3745(7) 0.078(3) Uani 1 1 d . . . . .
H7 H 0.3274 0.3819 0.3941 0.094 Uiso 1 1 calc R . . . .
C8 C 0.4754(11) 0.3102(6) 0.4204(6) 0.080(3) Uani 1 1 d . . . . .
H8 H 0.4891 0.3185 0.4705 0.096 Uiso 1 1 calc R . . . .
C9 C 0.5518(8) 0.2589(5) 0.3908(6) 0.061(3) Uani 1 1 d . . . . .
H9 H 0.6158 0.2316 0.4214 0.073 Uiso 1 1 calc R . . . .
C10 C 0.6960(8) 0.1172(5) 0.3456(4) 0.045(2) Uani 1 1 d . . . . .
C11 C 0.6200(8) 0.0692(5) 0.3767(5) 0.058(3) Uani 1 1 d . . . . .
H11 H 0.5335 0.0743 0.3628 0.070 Uiso 1 1 calc R . . . .
C12 C 0.6696(11) 0.0133(6) 0.4284(5) 0.074(3) Uani 1 1 d . . . . .
H12 H 0.6161 -0.0170 0.4502 0.088 Uiso 1 1 calc R . . . .
C13 C 0.7944(12) 0.0019(6) 0.4476(6) 0.077(3) Uani 1 1 d . . . . .
H13 H 0.8273 -0.0371 0.4811 0.093 Uiso 1 1 calc R . . . .
C14 C 0.8717(10) 0.0492(7) 0.4166(6) 0.090(4) Uani 1 1 d . . . . .
H14 H 0.9582 0.0430 0.4298 0.108 Uiso 1 1 calc R . . . .
C15 C 0.8225(8) 0.1056(5) 0.3662(5) 0.065(3) Uani 1 1 d . . . . .
H15 H 0.8765 0.1367 0.3455 0.079 Uiso 1 1 calc R . . . .
C16 C 0.4208(7) 0.0978(5) 0.2125(5) 0.051(2) Uani 1 1 d . . . . .
H16 H 0.3807 0.0955 0.2519 0.062 Uiso 1 1 calc R . . . .
C17 C 0.3803(8) 0.0646(5) 0.1469(6) 0.060(3) Uani 1 1 d . . . . .
H17 H 0.3071 0.0353 0.1328 0.072 Uiso 1 1 calc R . . . .
C18 C 0.4684(8) 0.0819(5) 0.1029(5) 0.065(3) Uani 1 1 d . . . . .
H18A H 0.5030 0.0333 0.0876 0.077 Uiso 1 1 calc R . . . .
H18B H 0.4286 0.1109 0.0598 0.077 Uiso 1 1 calc R . . . .
C19 C 0.5622(7) 0.1269(5) 0.1444(5) 0.049(2) Uani 1 1 d . . . . .
C20 C 0.6761(7) 0.1671(5) 0.1317(4) 0.041(2) Uani 1 1 d . . . . .
C21 C 0.6538(8) 0.2505(5) 0.1010(5) 0.065(3) Uani 1 1 d D . . . .
H21A H 0.7108 0.2592 0.0688 0.078 Uiso 0.5 1 d R . P . .
H21B H 0.5704 0.2683 0.1019 0.078 Uiso 0.5 1 d R . P . .
C22 C 0.6817(12) 0.2620(7) 0.0248(6) 0.079(4) Uani 0.7 1 d D . P . .
H22A H 0.6051 0.2668 -0.0108 0.118 Uiso 0.7 1 d R . P . .
H22B H 0.7309 0.3091 0.0243 0.118 Uiso 0.7 1 d R . P . .
H22C H 0.7281 0.2171 0.0133 0.118 Uiso 0.7 1 d R . P . .
C22A C 0.5305(17) 0.2894(15) 0.0656(17) 0.082(11) Uani 0.3 1 d D . P . .
H22D H 0.5157 0.2834 0.0136 0.123 Uiso 0.3 1 d R . P . .
H22E H 0.4647 0.2637 0.0841 0.123 Uiso 0.3 1 d R . P . .
H22F H 0.5319 0.3447 0.0778 0.123 Uiso 0.3 1 d R . P . .
C23 C 0.7564(8) 0.1119(4) 0.0984(5) 0.044(2) Uani 1 1 d . . . . .
C24 C 0.7364(9) 0.0539(5) 0.0466(5) 0.065(3) Uani 1 1 d . . . . .
H24 H 0.6590 0.0370 0.0205 0.078 Uiso 1 1 calc R . . . .
C25 C 0.8538(9) 0.0245(5) 0.0402(5) 0.066(3) Uani 1 1 d . . . . .
H25 H 0.8682 -0.0151 0.0083 0.080 Uiso 1 1 calc R . . . .
C26 C 0.9414(9) 0.0628(5) 0.0874(5) 0.060(3) Uani 1 1 d . . . . .
H26 H 1.0273 0.0542 0.0945 0.072 Uiso 1 1 calc R . . . .
C27 C 1.0483(8) 0.0537(5) 0.2634(5) 0.062(3) Uani 1 1 d . . . . .
H27 H 0.9899 0.0233 0.2318 0.075 Uiso 1 1 calc R . . . .
C28 C 1.0476(7) 0.1358(5) 0.2552(4) 0.042(2) Uani 1 1 d . . . . .
C29 C 1.1353(8) 0.1778(5) 0.3055(5) 0.062(3) Uani 1 1 d . . . . .
H29 H 1.1365 0.2327 0.3026 0.075 Uiso 1 1 calc R . . . .
C30 C 1.2198(8) 0.1404(7) 0.3590(5) 0.066(3) Uani 1 1 d . . . . .
H30 H 1.2781 0.1701 0.3913 0.080 Uiso 1 1 calc R . . . .
C31 C 1.2187(10) 0.0600(7) 0.3651(6) 0.081(3) Uani 1 1 d . . . . .
H31 H 1.2756 0.0345 0.4015 0.097 Uiso 1 1 calc R . . . .
C32 C 1.1327(10) 0.0173(6) 0.3167(6) 0.076(3) Uani 1 1 d . . . . .
H32 H 1.1320 -0.0375 0.3203 0.092 Uiso 1 1 calc R . . . .
C33 C 1.0424(7) 0.2427(5) 0.1428(4) 0.045(2) Uani 1 1 d . . . . .
C34 C 1.0042(8) 0.3138(5) 0.1100(5) 0.063(3) Uani 1 1 d . . . . .
H34 H 0.9271 0.3348 0.1144 0.076 Uiso 1 1 calc R . . . .
C35 C 1.0786(9) 0.3546(5) 0.0705(6) 0.078(3) Uani 1 1 d . . . . .
H35 H 1.0508 0.4020 0.0476 0.094 Uiso 1 1 calc R . . . .
C36 C 1.1938(9) 0.3246(6) 0.0654(5) 0.066(3) Uani 1 1 d . . . . .
H36 H 1.2454 0.3527 0.0404 0.079 Uiso 1 1 calc R . . . .
C37 C 1.2325(8) 0.2534(6) 0.0971(5) 0.065(3) Uani 1 1 d . . . . .
H37 H 1.3095 0.2320 0.0931 0.078 Uiso 1 1 calc R . . . .
C38 C 1.1560(7) 0.2147(5) 0.1346(5) 0.057(3) Uani 1 1 d . . . . .
H38 H 1.1828 0.1663 0.1559 0.068 Uiso 1 1 calc R . . . .
P1 P 0.8285(2) 0.33877(12) 0.27995(14) 0.0527(7) Uani 1 1 d . . . . .
P2 P 0.64051(19) 0.18953(12) 0.27361(12) 0.0446(6) Uani 1 1 d . . . . .
P3 P 0.93331(19) 0.18933(12) 0.18906(13) 0.0450(6) Uani 1 1 d . . . . .
N1 N 0.5322(6) 0.1358(4) 0.2114(4) 0.0493(19) Uani 1 1 d . . . . .
N2 N 0.8831(6) 0.1171(4) 0.1237(4) 0.0511(19) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C20 1.985(7) . ?
Co1 C21 2.193(9) . ?
Co1 P1 2.187(3) . ?
Co1 P2 2.103(3) . ?
Co1 P3 2.114(3) . ?
C1 P1 1.804(8) . ?
C2 P1 1.825(10) . ?
C3 P1 1.816(8) . ?
C4 C5 1.373(10) . ?
C4 C9 1.360(11) . ?
C4 P2 1.842(8) . ?
C5 C6 1.410(11) . ?
C6 C7 1.324(13) . ?
C7 C8 1.372(12) . ?
C8 C9 1.392(12) . ?
C10 C11 1.369(10) . ?
C10 C15 1.368(10) . ?
C10 P2 1.829(8) . ?
C11 C12 1.381(11) . ?
C12 C13 1.348(11) . ?
C13 C14 1.372(12) . ?
C14 C15 1.371(11) . ?
C16 C17 1.342(11) . ?
C16 N1 1.376(9) . ?
C17 C18 1.415(11) . ?
C18 C19 1.380(10) . ?
C19 C20 1.475(10) . ?
C19 N1 1.365(10) . ?
C20 C21 1.523(10) . ?
C20 C23 1.496(10) . ?
C21 C22 1.530(9) . ?
C21 C22A 1.522(10) . ?
C22 C22A 2.00(3) . ?
C23 C24 1.364(10) . ?
C23 N2 1.368(8) . ?
C24 C25 1.400(10) . ?
C25 C26 1.330(10) . ?
C26 N2 1.371(9) . ?
C27 C28 1.395(10) . ?
C27 C32 1.360(11) . ?
C28 C29 1.392(10) . ?
C28 P3 1.810(8) . ?
C29 C30 1.370(11) . ?
C30 C31 1.364(11) . ?
C31 C32 1.369(12) . ?
C33 C34 1.375(10) . ?
C33 C38 1.362(9) . ?
C33 P3 1.840(8) . ?
C34 C35 1.386(11) . ?
C35 C36 1.374(11) . ?
C36 C37 1.371(10) . ?
C37 C38 1.360(11) . ?
P2 N1 1.738(6) . ?
P3 N2 1.736(7) . ?

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
C20 Co1 C21 42.4(3) . . ?
C20 Co1 P1 162.7(2) . . ?
C20 Co1 P2 85.9(2) . . ?
C20 Co1 P3 86.7(2) . . ?
P1 Co1 C21 120.8(2) . . ?
P2 Co1 C21 105.6(2) . . ?
P2 Co1 P1 97.87(10) . . ?
P2 Co1 P3 130.76(10) . . ?
P3 Co1 C21 100.9(2) . . ?
P3 Co1 P1 103.12(10) . . ?
C5 C4 P2 117.3(8) . . ?
C9 C4 C5 119.6(8) . . ?
C9 C4 P2 122.9(7) . . ?
C4 C5 C6 119.6(10) . . ?
C7 C6 C5 119.6(10) . . ?
C6 C7 C8 121.8(10) . . ?
C7 C8 C9 118.9(10) . . ?
C4 C9 C8 120.5(9) . . ?
C11 C10 P2 124.8(7) . . ?
C15 C10 C11 117.0(8) . . ?
C15 C10 P2 117.9(7) . . ?
C10 C11 C12 121.2(8) . . ?
C13 C12 C11 121.1(9) . . ?
C12 C13 C14 118.4(10) . . ?
C15 C14 C13 120.5(9) . . ?
C10 C15 C14 121.8(9) . . ?
C17 C16 N1 108.1(8) . . ?
C16 C17 C18 108.0(8) . . ?
C19 C18 C17 107.4(9) . . ?
C18 C19 C20 135.5(9) . . ?
N1 C19 C18 106.9(8) . . ?
N1 C19 C20 117.5(7) . . ?
C19 C20 Co1 116.4(6) . . ?
C19 C20 C21 114.2(6) . . ?
C19 C20 C23 111.2(7) . . ?
C21 C20 Co1 76.1(5) . . ?
C23 C20 Co1 116.2(5) . . ?
C23 C20 C21 118.8(7) . . ?
C20 C21 Co1 61.5(4) . . ?
C20 C21 C22 115.0(8) . . ?
C22 C21 Co1 136.1(8) . . ?
C22A C21 Co1 137.0(14) . . ?
C22A C21 C20 128.6(13) . . ?
C22A C21 C22 82.1(14) . . ?
C21 C22 C22A 48.8(8) . . ?
C21 C22A C22 49.1(8) . . ?
C24 C23 C20 136.0(8) . . ?
C24 C23 N2 107.3(7) . . ?
N2 C23 C20 116.7(7) . . ?
C23 C24 C25 107.3(8) . . ?
C26 C25 C24 108.4(8) . . ?
C25 C26 N2 108.3(8) . . ?
C32 C27 C28 121.2(9) . . ?
C27 C28 P3 124.0(7) . . ?
C29 C28 C27 116.4(8) . . ?
C29 C28 P3 119.4(7) . . ?
C30 C29 C28 121.9(9) . . ?
C31 C30 C29 120.3(10) . . ?
C30 C31 C32 119.0(10) . . ?
C27 C32 C31 121.3(9) . . ?
C34 C33 P3 118.2(6) . . ?
C38 C33 C34 117.0(8) . . ?
C38 C33 P3 124.7(7) . . ?
C33 C34 C35 121.1(8) . . ?
C36 C35 C34 119.7(9) . . ?
C37 C36 C35 119.9(9) . . ?
C38 C37 C36 118.6(9) . . ?
C37 C38 C33 123.7(9) . . ?
C1 P1 Co1 115.1(3) . . ?
C1 P1 C2 101.3(5) . . ?
C1 P1 C3 98.3(5) . . ?
C2 P1 Co1 117.7(3) . . ?
C3 P1 Co1 120.3(3) . . ?
C3 P1 C2 100.7(5) . . ?
C4 P2 Co1 125.4(3) . . ?
C10 P2 Co1 120.0(3) . . ?
C10 P2 C4 100.2(4) . . ?
N1 P2 Co1 104.5(3) . . ?
N1 P2 C4 100.1(4) . . ?
N1 P2 C10 103.0(3) . . ?
C28 P3 Co1 123.6(3) . . ?
C28 P3 C33 98.4(4) . . ?
C33 P3 Co1 125.5(3) . . ?
N2 P3 Co1 103.8(2) . . ?
N2 P3 C28 101.9(4) . . ?
N2 P3 C33 98.9(4) . . ?
C16 N1 P2 135.7(7) . . ?
C19 N1 C16 109.7(7) . . ?
C19 N1 P2 114.7(6) . . ?
C23 N2 C26 108.7(7) . . ?
C23 N2 P3 116.2(6) . . ?
C26 N2 P3 135.1(7) . . ?

_olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)'
####################################################################### 
# 
# 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_cmplex4
_database_code_depnum_ccdc_archive 'CCDC 1028672'
_audit_update_record             
;
2014-10-11 deposited with the CCDC.
2015-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H41 Co N2 P3'
_chemical_formula_weight         689.58

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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pcab

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

_cell_length_a                   16.666(2)
_cell_length_b                   19.745(3)
_cell_length_c                   21.037(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6922.4(15)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1864
_cell_measurement_theta_min      2.444
_cell_measurement_theta_max      20.098

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2896
_exptl_absorpt_coefficient_mu    0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8675
_exptl_absorpt_correction_T_max  0.8841
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71000
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32296
_diffrn_reflns_av_R_equivalents  0.1789
_diffrn_reflns_av_unetI/netI     0.1967
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6096
_reflns_number_gt                3100
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0304P)²+3.3807P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0031(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         6096
_refine_ls_number_parameters     407
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1589
_refine_ls_R_factor_gt           0.0778
_refine_ls_wR_factor_ref         0.2350
_refine_ls_wR_factor_gt          0.1813
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.55247(5) 0.72625(4) 0.38439(4) 0.0392(3) Uani 1 1 d . . .
C1 C 0.3611(5) 0.7810(4) 0.3680(5) 0.086(3) Uani 1 1 d . . .
H1A H 0.3136 0.7794 0.3422 0.129 Uiso 1 1 calc R . .
H1B H 0.3796 0.8269 0.3710 0.129 Uiso 1 1 calc R . .
H1C H 0.3491 0.7642 0.4098 0.129 Uiso 1 1 calc R . .
C2 C 0.3805(5) 0.6520(4) 0.3199(4) 0.085(3) Uani 1 1 d . . .
H2A H 0.3332 0.6626 0.2959 0.127 Uiso 1 1 calc R . .
H2B H 0.3652 0.6337 0.3605 0.127 Uiso 1 1 calc R . .
H2C H 0.4119 0.6192 0.2972 0.127 Uiso 1 1 calc R . .
C3 C 0.4415(5) 0.7583(5) 0.2502(4) 0.080(3) Uani 1 1 d . . .
H3A H 0.3883 0.7566 0.2327 0.120 Uiso 1 1 calc R . .
H3B H 0.4765 0.7300 0.2255 0.120 Uiso 1 1 calc R . .
H3C H 0.4608 0.8041 0.2492 0.120 Uiso 1 1 calc R . .
C4 C 0.6447(4) 0.6059(3) 0.2910(3) 0.0443(17) Uani 1 1 d . . .
C5 C 0.7269(4) 0.6040(3) 0.2850(4) 0.0537(19) Uani 1 1 d . . .
H5A H 0.7590 0.6094 0.3208 0.064 Uiso 1 1 calc R . .
C6 C 0.7618(5) 0.5944(4) 0.2270(4) 0.062(2) Uani 1 1 d . . .
H6A H 0.8175 0.5941 0.2240 0.075 Uiso 1 1 calc R . .
C7 C 0.7177(6) 0.5854(4) 0.1739(4) 0.068(2) Uani 1 1 d . . .
H7A H 0.7425 0.5790 0.1347 0.082 Uiso 1 1 calc R . .
C8 C 0.6345(6) 0.5859(4) 0.1786(4) 0.066(2) Uani 1 1 d . . .
H8A H 0.6029 0.5788 0.1428 0.079 Uiso 1 1 calc R . .
C9 C 0.5999(5) 0.5968(4) 0.2365(3) 0.055(2) Uani 1 1 d . . .
H9A H 0.5442 0.5982 0.2393 0.066 Uiso 1 1 calc R . .
C10 C 0.5344(4) 0.5495(3) 0.3793(3) 0.0462(18) Uani 1 1 d . . .
C11 C 0.5518(5) 0.4880(4) 0.3509(4) 0.065(2) Uani 1 1 d . . .
H11A H 0.5940 0.4846 0.3222 0.078 Uiso 1 1 calc R . .
C12 C 0.5052(6) 0.4301(4) 0.3657(4) 0.080(3) Uani 1 1 d . . .
H12A H 0.5175 0.3885 0.3475 0.096 Uiso 1 1 calc R . .
C13 C 0.4425(5) 0.4357(4) 0.4065(4) 0.070(2) Uani 1 1 d . . .
H13A H 0.4111 0.3979 0.4151 0.084 Uiso 1 1 calc R . .
C14 C 0.4250(5) 0.4951(5) 0.4347(4) 0.071(2) Uani 1 1 d . . .
H14A H 0.3822 0.4980 0.4629 0.085 Uiso 1 1 calc R . .
C15 C 0.4711(4) 0.5523(4) 0.4215(4) 0.062(2) Uani 1 1 d . . .
H15A H 0.4591 0.5931 0.4415 0.075 Uiso 1 1 calc R . .
C16 C 0.7173(4) 0.5598(4) 0.4370(3) 0.056(2) Uani 1 1 d . . .
H16A H 0.7186 0.5180 0.4166 0.067 Uiso 1 1 calc R . .
C17 C 0.7624(4) 0.5780(4) 0.4866(4) 0.056(2) Uani 1 1 d . . .
H17A H 0.8007 0.5512 0.5067 0.067 Uiso 1 1 calc R . .
C18 C 0.7417(4) 0.6453(4) 0.5032(3) 0.058(2) Uani 1 1 d . . .
H18A H 0.7641 0.6706 0.5360 0.070 Uiso 1 1 calc R . .
C19 C 0.6826(4) 0.6666(3) 0.4621(3) 0.0407(17) Uani 1 1 d . . .
C20 C 0.6324(3) 0.7281(3) 0.4546(3) 0.0362(15) Uani 1 1 d . . .
C21 C 0.5525(4) 0.7252(3) 0.4902(3) 0.0462(17) Uani 1 1 d . . .
H21A H 0.5428 0.6791 0.5058 0.055 Uiso 1 1 calc R . .
C22 C 0.5366(5) 0.7761(5) 0.5427(4) 0.080(3) Uani 1 1 d . . .
H22A H 0.5738 0.7681 0.5773 0.095 Uiso 1 1 calc R . .
H22B H 0.5462 0.8214 0.5266 0.095 Uiso 1 1 calc R . .
C23 C 0.4526(6) 0.7718(6) 0.5673(6) 0.122(4) Uani 1 1 d . . .
H23A H 0.4450 0.8051 0.6000 0.183 Uiso 1 1 calc R . .
H23B H 0.4434 0.7275 0.5846 0.183 Uiso 1 1 calc R . .
H23C H 0.4156 0.7800 0.5333 0.183 Uiso 1 1 calc R . .
C24 C 0.6797(4) 0.7923(4) 0.4612(3) 0.0455(18) Uani 1 1 d . . .
C25 C 0.7356(4) 0.8159(4) 0.5030(3) 0.059(2) Uani 1 1 d . . .
H25A H 0.7574 0.7922 0.5371 0.071 Uiso 1 1 calc R . .
C26 C 0.7544(5) 0.8829(4) 0.4850(4) 0.068(2) Uani 1 1 d . . .
H26A H 0.7918 0.9109 0.5047 0.081 Uiso 1 1 calc R . .
C27 C 0.7088(5) 0.8994(4) 0.4341(4) 0.059(2) Uani 1 1 d . . .
H27A H 0.7082 0.9410 0.4133 0.071 Uiso 1 1 calc R . .
C28 C 0.5323(4) 0.9008(4) 0.3618(4) 0.0501(19) Uani 1 1 d . . .
C29 C 0.5080(5) 0.9278(4) 0.4194(4) 0.073(2) Uani 1 1 d . . .
H29A H 0.5285 0.9100 0.4570 0.088 Uiso 1 1 calc R . .
C30 C 0.4541(6) 0.9806(5) 0.4220(5) 0.089(3) Uani 1 1 d . . .
H30A H 0.4391 0.9983 0.4612 0.107 Uiso 1 1 calc R . .
C31 C 0.4234(5) 1.0064(4) 0.3690(6) 0.086(3) Uani 1 1 d . . .
H31A H 0.3871 1.0420 0.3716 0.103 Uiso 1 1 calc R . .
C32 C 0.4444(5) 0.9813(4) 0.3107(5) 0.074(3) Uani 1 1 d . . .
H32A H 0.4221 0.9994 0.2740 0.089 Uiso 1 1 calc R . .
C33 C 0.4997(4) 0.9282(4) 0.3070(4) 0.059(2) Uani 1 1 d . . .
H33A H 0.5147 0.9112 0.2675 0.071 Uiso 1 1 calc R . .
C34 C 0.6525(4) 0.8378(3) 0.2865(3) 0.0435(17) Uani 1 1 d . . .
C35 C 0.6846(4) 0.9009(4) 0.2689(3) 0.0488(18) Uani 1 1 d . . .
H35A H 0.6758 0.9384 0.2947 0.059 Uiso 1 1 calc R . .
C36 C 0.7286(4) 0.9081(4) 0.2144(4) 0.060(2) Uani 1 1 d . . .
H36A H 0.7498 0.9502 0.2037 0.072 Uiso 1 1 calc R . .
C37 C 0.7416(5) 0.8532(4) 0.1755(3) 0.062(2) Uani 1 1 d . . .
H37A H 0.7715 0.8578 0.1384 0.075 Uiso 1 1 calc R . .
C38 C 0.7099(5) 0.7914(4) 0.1921(4) 0.064(2) Uani 1 1 d . . .
H38A H 0.7179 0.7544 0.1655 0.076 Uiso 1 1 calc R . .
C39 C 0.6671(4) 0.7835(4) 0.2466(3) 0.0517(18) Uani 1 1 d . . .
H39A H 0.6473 0.7410 0.2572 0.062 Uiso 1 1 calc R . .
P1 P 0.43936(11) 0.72836(10) 0.33172(10) 0.0514(5) Uani 1 1 d . . .
P2 P 0.59351(10) 0.62713(9) 0.36545(8) 0.0412(5) Uani 1 1 d . . .
P3 P 0.59496(11) 0.82343(9) 0.35953(8) 0.0438(5) Uani 1 1 d . . .
N1 N 0.6682(3) 0.6139(3) 0.4212(3) 0.0463(14) Uani 1 1 d . . .
N2 N 0.6633(3) 0.8436(3) 0.4185(3) 0.0500(15) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C20 1.989(6) . ?
Co1 P3 2.111(2) . ?
Co1 P2 2.111(2) . ?
Co1 P1 2.187(2) . ?
Co1 C21 2.226(6) . ?
C1 P1 1.834(8) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 P1 1.816(8) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 P1 1.815(8) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.376(9) . ?
C4 C9 1.380(9) . ?
C4 P2 1.832(7) . ?
C5 C6 1.365(9) . ?
C5 H5A 0.9300 . ?
C6 C7 1.350(11) . ?
C6 H6A 0.9300 . ?
C7 C8 1.390(11) . ?
C7 H7A 0.9300 . ?
C8 C9 1.365(10) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C11 1.384(9) . ?
C10 C15 1.380(9) . ?
C10 P2 1.845(7) . ?
C11 C12 1.416(10) . ?
C11 H11A 0.9300 . ?
C12 C13 1.356(11) . ?
C12 H12A 0.9300 . ?
C13 C14 1.346(11) . ?
C13 H13A 0.9300 . ?
C14 C15 1.395(10) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.336(10) . ?
C16 N1 1.385(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.416(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.378(9) . ?
C18 H18A 0.9300 . ?
C19 N1 1.371(8) . ?
C19 C20 1.482(9) . ?
C20 C24 1.500(9) . ?
C20 C21 1.529(8) . ?
C21 C22 1.516(10) . ?
C21 H21A 0.9800 . ?
C22 C23 1.496(12) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.363(9) . ?
C24 N2 1.381(8) . ?
C25 C26 1.412(10) . ?
C25 H25A 0.9300 . ?
C26 C27 1.353(10) . ?
C26 H26A 0.9300 . ?
C27 N2 1.376(8) . ?
C27 H27A 0.9300 . ?
C28 C33 1.384(9) . ?
C28 C29 1.386(10) . ?
C28 P3 1.851(7) . ?
C29 C30 1.376(11) . ?
C29 H29A 0.9300 . ?
C30 C31 1.328(13) . ?
C30 H30A 0.9300 . ?
C31 C32 1.368(12) . ?
C31 H31A 0.9300 . ?
C32 C33 1.398(10) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C39 1.383(9) . ?
C34 C35 1.406(9) . ?
C34 P3 1.833(7) . ?
C35 C36 1.368(9) . ?
C35 H35A 0.9300 . ?
C36 C37 1.375(10) . ?
C36 H36A 0.9300 . ?
C37 C38 1.374(10) . ?
C37 H37A 0.9300 . ?
C38 C39 1.360(10) . ?
C38 H38A 0.9300 . ?
C39 H39A 0.9300 . ?
P2 N1 1.731(6) . ?
P3 N2 1.732(6) . ?

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
C20 Co1 P3 86.72(18) . . ?
C20 Co1 P2 86.54(19) . . ?
P3 Co1 P2 133.40(8) . . ?
C20 Co1 P1 162.41(18) . . ?
P3 Co1 P1 98.41(8) . . ?
P2 Co1 P1 101.61(8) . . ?
C20 Co1 C21 42.1(2) . . ?
P3 Co1 C21 104.84(19) . . ?
P2 Co1 C21 100.36(18) . . ?
P1 Co1 C21 120.48(17) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 117.3(7) . . ?
C5 C4 P2 123.3(5) . . ?
C9 C4 P2 119.2(5) . . ?
C6 C5 C4 120.7(7) . . ?
C6 C5 H5A 119.6 . . ?
C4 C5 H5A 119.6 . . ?
C7 C6 C5 121.7(8) . . ?
C7 C6 H6A 119.1 . . ?
C5 C6 H6A 119.1 . . ?
C6 C7 C8 118.9(7) . . ?
C6 C7 H7A 120.5 . . ?
C8 C7 H7A 120.5 . . ?
C9 C8 C7 119.1(8) . . ?
C9 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
C8 C9 C4 122.3(7) . . ?
C8 C9 H9A 118.9 . . ?
C4 C9 H9A 118.9 . . ?
C11 C10 C15 118.3(7) . . ?
C11 C10 P2 123.4(6) . . ?
C15 C10 P2 118.4(6) . . ?
C10 C11 C12 119.9(8) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C13 C12 C11 119.7(8) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C14 C13 C12 121.1(8) . . ?
C14 C13 H13A 119.4 . . ?
C12 C13 H13A 119.4 . . ?
C13 C14 C15 119.9(8) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C10 C15 C14 121.1(8) . . ?
C10 C15 H15A 119.5 . . ?
C14 C15 H15A 119.5 . . ?
C17 C16 N1 108.2(7) . . ?
C17 C16 H16A 125.9 . . ?
N1 C16 H16A 125.9 . . ?
C16 C17 C18 107.9(7) . . ?
C16 C17 H17A 126.0 . . ?
C18 C17 H17A 126.0 . . ?
C19 C18 C17 107.8(7) . . ?
C19 C18 H18A 126.1 . . ?
C17 C18 H18A 126.1 . . ?
N1 C19 C18 106.6(6) . . ?
N1 C19 C20 117.2(6) . . ?
C18 C19 C20 136.1(7) . . ?
C19 C20 C24 112.7(5) . . ?
C19 C20 C21 114.1(5) . . ?
C24 C20 C21 116.3(5) . . ?
C19 C20 Co1 116.3(4) . . ?
C24 C20 Co1 115.9(4) . . ?
C21 C20 Co1 77.3(3) . . ?
C22 C21 C20 119.0(6) . . ?
C22 C21 Co1 136.2(6) . . ?
C20 C21 Co1 60.6(3) . . ?
C22 C21 H21A 110.0 . . ?
C20 C21 H21A 110.0 . . ?
Co1 C21 H21A 110.0 . . ?
C23 C22 C21 112.3(8) . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22B 109.1 . . ?
C21 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 N2 107.7(6) . . ?
C25 C24 C20 135.1(7) . . ?
N2 C24 C20 117.1(6) . . ?
C24 C25 C26 107.3(7) . . ?
C24 C25 H25A 126.3 . . ?
C26 C25 H25A 126.3 . . ?
C27 C26 C25 108.3(7) . . ?
C27 C26 H26A 125.9 . . ?
C25 C26 H26A 125.9 . . ?
C26 C27 N2 107.8(7) . . ?
C26 C27 H27A 126.1 . . ?
N2 C27 H27A 126.1 . . ?
C33 C28 C29 117.7(7) . . ?
C33 C28 P3 121.5(6) . . ?
C29 C28 P3 120.3(6) . . ?
C30 C29 C28 121.0(9) . . ?
C30 C29 H29A 119.5 . . ?
C28 C29 H29A 119.5 . . ?
C31 C30 C29 120.6(9) . . ?
C31 C30 H30A 119.7 . . ?
C29 C30 H30A 119.7 . . ?
C30 C31 C32 120.9(9) . . ?
C30 C31 H31A 119.5 . . ?
C32 C31 H31A 119.5 . . ?
C31 C32 C33 119.4(8) . . ?
C31 C32 H32A 120.3 . . ?
C33 C32 H32A 120.3 . . ?
C28 C33 C32 120.3(8) . . ?
C28 C33 H33A 119.9 . . ?
C32 C33 H33A 119.9 . . ?
C39 C34 C35 117.4(6) . . ?
C39 C34 P3 118.8(5) . . ?
C35 C34 P3 123.9(5) . . ?
C36 C35 C34 121.2(7) . . ?
C36 C35 H35A 119.4 . . ?
C34 C35 H35A 119.4 . . ?
C35 C36 C37 120.0(7) . . ?
C35 C36 H36A 120.0 . . ?
C37 C36 H36A 120.0 . . ?
C38 C37 C36 119.2(7) . . ?
C38 C37 H37A 120.4 . . ?
C36 C37 H37A 120.4 . . ?
C39 C38 C37 121.2(7) . . ?
C39 C38 H38A 119.4 . . ?
C37 C38 H38A 119.4 . . ?
C38 C39 C34 121.0(7) . . ?
C38 C39 H39A 119.5 . . ?
C34 C39 H39A 119.5 . . ?
C2 P1 C3 98.8(4) . . ?
C2 P1 C1 98.2(4) . . ?
C3 P1 C1 102.9(5) . . ?
C2 P1 Co1 121.3(3) . . ?
C3 P1 Co1 117.9(3) . . ?
C1 P1 Co1 114.4(3) . . ?
N1 P2 C4 102.1(3) . . ?
N1 P2 C10 98.7(3) . . ?
C4 P2 C10 101.1(3) . . ?
N1 P2 Co1 104.2(2) . . ?
C4 P2 Co1 121.6(2) . . ?
C10 P2 Co1 124.6(2) . . ?
N2 P3 C34 102.8(3) . . ?
N2 P3 C28 99.4(3) . . ?
C34 P3 C28 100.9(3) . . ?
N2 P3 Co1 104.6(2) . . ?
C34 P3 Co1 121.6(2) . . ?
C28 P3 Co1 123.7(2) . . ?
C19 N1 C16 109.4(6) . . ?
C19 N1 P2 115.8(5) . . ?
C16 N1 P2 134.7(5) . . ?
C27 N2 C24 108.9(6) . . ?
C27 N2 P3 135.8(5) . . ?
C24 N2 P3 115.3(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
C9 C4 C5 C6 0.8(10) . . . . ?
P2 C4 C5 C6 -173.6(5) . . . . ?
C4 C5 C6 C7 -1.0(11) . . . . ?
C5 C6 C7 C8 -0.1(12) . . . . ?
C6 C7 C8 C9 1.4(12) . . . . ?
C7 C8 C9 C4 -1.6(11) . . . . ?
C5 C4 C9 C8 0.5(10) . . . . ?
P2 C4 C9 C8 175.1(6) . . . . ?
C15 C10 C11 C12 -0.2(11) . . . . ?
P2 C10 C11 C12 177.8(6) . . . . ?
C10 C11 C12 C13 1.6(13) . . . . ?
C11 C12 C13 C14 -1.9(13) . . . . ?
C12 C13 C14 C15 0.7(13) . . . . ?
C11 C10 C15 C14 -0.9(11) . . . . ?
P2 C10 C15 C14 -179.0(6) . . . . ?
C13 C14 C15 C10 0.7(12) . . . . ?
N1 C16 C17 C18 0.2(8) . . . . ?
C16 C17 C18 C19 0.2(8) . . . . ?
C17 C18 C19 N1 -0.5(8) . . . . ?
C17 C18 C19 C20 176.4(7) . . . . ?
N1 C19 C20 C24 -138.6(6) . . . . ?
C18 C19 C20 C24 44.7(10) . . . . ?
N1 C19 C20 C21 85.8(7) . . . . ?
C18 C19 C20 C21 -90.9(9) . . . . ?
N1 C19 C20 Co1 -1.4(7) . . . . ?
C18 C19 C20 Co1 -178.1(7) . . . . ?
P3 Co1 C20 C19 -132.7(4) . . . . ?
P2 Co1 C20 C19 1.2(4) . . . . ?
P1 Co1 C20 C19 119.6(6) . . . . ?
C21 Co1 C20 C19 110.8(6) . . . . ?
P3 Co1 C20 C24 3.2(4) . . . . ?
P2 Co1 C20 C24 137.1(4) . . . . ?
P1 Co1 C20 C24 -104.5(7) . . . . ?
C21 Co1 C20 C24 -113.3(6) . . . . ?
P3 Co1 C20 C21 116.5(3) . . . . ?
P2 Co1 C20 C21 -109.6(3) . . . . ?
P1 Co1 C20 C21 8.8(8) . . . . ?
C19 C20 C21 C22 117.2(7) . . . . ?
C24 C20 C21 C22 -16.6(9) . . . . ?
Co1 C20 C21 C22 -129.4(7) . . . . ?
C19 C20 C21 Co1 -113.3(5) . . . . ?
C24 C20 C21 Co1 112.8(5) . . . . ?
C20 Co1 C21 C22 102.5(8) . . . . ?
P3 Co1 C21 C22 35.0(7) . . . . ?
P2 Co1 C21 C22 175.4(7) . . . . ?
P1 Co1 C21 C22 -74.4(7) . . . . ?
P3 Co1 C21 C20 -67.6(4) . . . . ?
P2 Co1 C21 C20 72.9(3) . . . . ?
P1 Co1 C21 C20 -176.9(3) . . . . ?
C20 C21 C22 C23 173.2(8) . . . . ?
Co1 C21 C22 C23 96.6(9) . . . . ?
C19 C20 C24 C25 -46.5(10) . . . . ?
C21 C20 C24 C25 88.0(10) . . . . ?
Co1 C20 C24 C25 176.1(7) . . . . ?
C19 C20 C24 N2 137.6(6) . . . . ?
C21 C20 C24 N2 -88.0(7) . . . . ?
Co1 C20 C24 N2 0.1(8) . . . . ?
N2 C24 C25 C26 -0.7(8) . . . . ?
C20 C24 C25 C26 -176.9(7) . . . . ?
C24 C25 C26 C27 1.5(9) . . . . ?
C25 C26 C27 N2 -1.7(9) . . . . ?
C33 C28 C29 C30 -0.7(12) . . . . ?
P3 C28 C29 C30 -172.5(7) . . . . ?
C28 C29 C30 C31 0.7(15) . . . . ?
C29 C30 C31 C32 0.0(15) . . . . ?
C30 C31 C32 C33 -0.7(14) . . . . ?
C29 C28 C33 C32 0.0(11) . . . . ?
P3 C28 C33 C32 171.8(6) . . . . ?
C31 C32 C33 C28 0.7(12) . . . . ?
C39 C34 C35 C36 -0.1(10) . . . . ?
P3 C34 C35 C36 178.5(5) . . . . ?
C34 C35 C36 C37 0.5(11) . . . . ?
C35 C36 C37 C38 0.0(12) . . . . ?
C36 C37 C38 C39 -1.0(12) . . . . ?
C37 C38 C39 C34 1.4(12) . . . . ?
C35 C34 C39 C38 -0.9(10) . . . . ?
P3 C34 C39 C38 -179.5(6) . . . . ?
C20 Co1 P1 C2 -86.3(7) . . . . ?
P3 Co1 P1 C2 167.7(4) . . . . ?
P2 Co1 P1 C2 30.0(4) . . . . ?
C21 Co1 P1 C2 -79.5(4) . . . . ?
C20 Co1 P1 C3 152.1(7) . . . . ?
P3 Co1 P1 C3 46.2(4) . . . . ?
P2 Co1 P1 C3 -91.5(4) . . . . ?
C21 Co1 P1 C3 159.0(4) . . . . ?
C20 Co1 P1 C1 31.0(8) . . . . ?
P3 Co1 P1 C1 -75.0(4) . . . . ?
P2 Co1 P1 C1 147.4(3) . . . . ?
C21 Co1 P1 C1 37.8(4) . . . . ?
C5 C4 P2 N1 -19.0(6) . . . . ?
C9 C4 P2 N1 166.7(5) . . . . ?
C5 C4 P2 C10 -120.6(6) . . . . ?
C9 C4 P2 C10 65.1(6) . . . . ?
C5 C4 P2 Co1 96.2(6) . . . . ?
C9 C4 P2 Co1 -78.1(6) . . . . ?
C11 C10 P2 N1 -84.9(7) . . . . ?
C15 C10 P2 N1 93.2(6) . . . . ?
C11 C10 P2 C4 19.4(7) . . . . ?
C15 C10 P2 C4 -162.6(6) . . . . ?
C11 C10 P2 Co1 161.1(5) . . . . ?
C15 C10 P2 Co1 -20.9(7) . . . . ?
C20 Co1 P2 N1 -0.7(3) . . . . ?
P3 Co1 P2 N1 81.5(2) . . . . ?
P1 Co1 P2 N1 -165.0(2) . . . . ?
C21 Co1 P2 N1 -40.6(3) . . . . ?
C20 Co1 P2 C4 -114.9(3) . . . . ?
P3 Co1 P2 C4 -32.7(3) . . . . ?
P1 Co1 P2 C4 80.8(3) . . . . ?
C21 Co1 P2 C4 -154.8(3) . . . . ?
C20 Co1 P2 C10 110.6(3) . . . . ?
P3 Co1 P2 C10 -167.2(3) . . . . ?
P1 Co1 P2 C10 -53.6(3) . . . . ?
C21 Co1 P2 C10 70.7(3) . . . . ?
C39 C34 P3 N2 117.3(6) . . . . ?
C35 C34 P3 N2 -61.3(6) . . . . ?
C39 C34 P3 C28 -140.4(6) . . . . ?
C35 C34 P3 C28 41.1(6) . . . . ?
C39 C34 P3 Co1 1.0(6) . . . . ?
C35 C34 P3 Co1 -177.6(5) . . . . ?
C33 C28 P3 N2 143.9(6) . . . . ?
C29 C28 P3 N2 -44.6(6) . . . . ?
C33 C28 P3 C34 38.8(6) . . . . ?
C29 C28 P3 C34 -149.6(6) . . . . ?
C33 C28 P3 Co1 -101.4(6) . . . . ?
C29 C28 P3 Co1 70.1(7) . . . . ?
C20 Co1 P3 N2 -4.8(3) . . . . ?
P2 Co1 P3 N2 -86.9(2) . . . . ?
P1 Co1 P3 N2 158.3(2) . . . . ?
C21 Co1 P3 N2 33.5(3) . . . . ?
C20 Co1 P3 C34 110.6(3) . . . . ?
P2 Co1 P3 C34 28.4(3) . . . . ?
P1 Co1 P3 C34 -86.4(3) . . . . ?
C21 Co1 P3 C34 148.9(3) . . . . ?
C20 Co1 P3 C28 -116.9(4) . . . . ?
P2 Co1 P3 C28 161.0(3) . . . . ?
P1 Co1 P3 C28 46.1(3) . . . . ?
C21 Co1 P3 C28 -78.6(4) . . . . ?
C18 C19 N1 C16 0.6(7) . . . . ?
C20 C19 N1 C16 -177.0(5) . . . . ?
C18 C19 N1 P2 178.3(4) . . . . ?
C20 C19 N1 P2 0.7(7) . . . . ?
C17 C16 N1 C19 -0.5(8) . . . . ?
C17 C16 N1 P2 -177.6(5) . . . . ?
C4 P2 N1 C19 127.6(5) . . . . ?
C10 P2 N1 C19 -128.9(5) . . . . ?
Co1 P2 N1 C19 0.2(5) . . . . ?
C4 P2 N1 C16 -55.4(7) . . . . ?
C10 P2 N1 C16 48.0(7) . . . . ?
Co1 P2 N1 C16 177.1(6) . . . . ?
C26 C27 N2 C24 1.3(9) . . . . ?
C26 C27 N2 P3 -177.2(6) . . . . ?
C25 C24 N2 C27 -0.4(8) . . . . ?
C20 C24 N2 C27 176.6(6) . . . . ?
C25 C24 N2 P3 178.5(5) . . . . ?
C20 C24 N2 P3 -4.6(8) . . . . ?
C34 P3 N2 C27 57.0(8) . . . . ?
C28 P3 N2 C27 -46.6(8) . . . . ?
Co1 P3 N2 C27 -175.2(7) . . . . ?
C34 P3 N2 C24 -121.5(5) . . . . ?
C28 P3 N2 C24 135.0(5) . . . . ?
Co1 P3 N2 C24 6.4(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.113
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex5
_database_code_depnum_ccdc_archive 'CCDC 1028673'
_audit_update_record             
;
2014-10-11 deposited with the CCDC.
2015-02-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H45 Co N2 P3'
_chemical_formula_weight         717.63

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   p_1_21/c_1

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

_cell_length_a                   10.526(3)
_cell_length_b                   19.385(5)
_cell_length_c                   21.235(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 119.716(10)
_cell_angle_gamma                90.00
_cell_volume                     3763.1(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4574
_cell_measurement_theta_min      2.10
_cell_measurement_theta_max      25.35

_exptl_crystal_description       block
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1508
_exptl_absorpt_coefficient_mu    0.614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8767
_exptl_absorpt_correction_T_max  0.8922
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18597
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0637
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6609
_reflns_number_gt                4646
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0626P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6609
_refine_ls_number_parameters     424
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.1192
_refine_ls_wR_factor_gt          0.1019
_refine_ls_goodness_of_fit_ref   0.967
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.65297(4) 0.71913(2) 0.879982(19) 0.03131(13) Uani 1 1 d . . .
C1 C 0.9148(5) 0.7695(2) 0.8418(2) 0.0781(13) Uani 1 1 d . . .
H1A H 1.0160 0.7653 0.8551 0.117 Uiso 1 1 calc R . .
H1B H 0.8931 0.8168 0.8459 0.117 Uiso 1 1 calc R . .
H1C H 0.8545 0.7543 0.7926 0.117 Uiso 1 1 calc R . .
C2 C 1.0222(4) 0.7448(2) 0.9920(2) 0.0653(11) Uani 1 1 d . . .
H2A H 1.1159 0.7412 0.9949 0.098 Uiso 1 1 calc R . .
H2B H 1.0209 0.7162 1.0286 0.098 Uiso 1 1 calc R . .
H2C H 1.0049 0.7919 0.9996 0.098 Uiso 1 1 calc R . .
C3 C 0.9606(4) 0.63556(19) 0.8959(2) 0.0677(11) Uani 1 1 d . . .
H3A H 1.0596 0.6438 0.9072 0.102 Uiso 1 1 calc R . .
H3B H 0.9055 0.6174 0.8476 0.102 Uiso 1 1 calc R . .
H3C H 0.9599 0.6029 0.9298 0.102 Uiso 1 1 calc R . .
C4 C 0.6798(3) 0.53772(16) 0.90139(16) 0.0412(8) Uani 1 1 d . . .
C5 C 0.6824(3) 0.52969(19) 0.83753(18) 0.0546(9) Uani 1 1 d . . .
H5A H 0.6666 0.5678 0.8079 0.066 Uiso 1 1 calc R . .
C6 C 0.7079(4) 0.4660(3) 0.8166(2) 0.0745(13) Uani 1 1 d . . .
H6A H 0.7088 0.4616 0.7732 0.089 Uiso 1 1 calc R . .
C7 C 0.7319(4) 0.4099(2) 0.8594(3) 0.0835(15) Uani 1 1 d . . .
H7A H 0.7512 0.3673 0.8458 0.100 Uiso 1 1 calc R . .
C8 C 0.7275(4) 0.4161(2) 0.9222(2) 0.0754(13) Uani 1 1 d . . .
H8A H 0.7408 0.3773 0.9506 0.090 Uiso 1 1 calc R . .
C9 C 0.7034(4) 0.47948(17) 0.94410(19) 0.0566(9) Uani 1 1 d . . .
H9A H 0.7028 0.4833 0.9876 0.068 Uiso 1 1 calc R . .
C10 C 0.6976(3) 0.61565(15) 1.01797(15) 0.0380(7) Uani 1 1 d . . .
C11 C 0.6081(4) 0.63214(17) 1.04644(17) 0.0498(8) Uani 1 1 d . . .
H11A H 0.5097 0.6420 1.0158 0.060 Uiso 1 1 calc R . .
C12 C 0.6665(5) 0.63384(19) 1.1211(2) 0.0633(10) Uani 1 1 d . . .
H12A H 0.6062 0.6447 1.1402 0.076 Uiso 1 1 calc R . .
C13 C 0.8111(5) 0.6198(2) 1.1672(2) 0.0655(11) Uani 1 1 d . . .
H13A H 0.8482 0.6212 1.2171 0.079 Uiso 1 1 calc R . .
C14 C 0.9011(4) 0.60362(19) 1.13998(18) 0.0610(10) Uani 1 1 d . . .
H14A H 0.9995 0.5942 1.1711 0.073 Uiso 1 1 calc R . .
C15 C 0.8444(4) 0.60149(17) 1.06589(16) 0.0483(8) Uani 1 1 d . . .
H15A H 0.9057 0.5903 1.0475 0.058 Uiso 1 1 calc R . .
C16 C 0.3581(3) 0.55892(16) 0.88298(17) 0.0445(8) Uani 1 1 d . . .
H16A H 0.3901 0.5171 0.9073 0.053 Uiso 1 1 calc R . .
C17 C 0.2171(4) 0.57885(17) 0.84148(19) 0.0527(9) Uani 1 1 d . . .
H17A H 0.1349 0.5533 0.8325 0.063 Uiso 1 1 calc R . .
C18 C 0.2171(3) 0.64503(17) 0.81443(18) 0.0514(9) Uani 1 1 d . . .
H18A H 0.1345 0.6710 0.7845 0.062 Uiso 1 1 calc R . .
C19 C 0.3582(3) 0.66482(15) 0.83923(15) 0.0358(7) Uani 1 1 d . . .
C20 C 0.4340(3) 0.72528(15) 0.82968(15) 0.0330(7) Uani 1 1 d . . .
C21 C 0.4645(3) 0.72196(16) 0.76688(15) 0.0410(7) Uani 1 1 d . . .
H21A H 0.4546 0.7674 0.7447 0.049 Uiso 1 1 calc R . .
C22 C 0.3872(4) 0.66644(19) 0.70984(16) 0.0575(10) Uani 1 1 d . . .
H22A H 0.4129 0.6216 0.7332 0.069 Uiso 1 1 calc R . .
H22B H 0.2824 0.6722 0.6887 0.069 Uiso 1 1 calc R . .
C23 C 0.4250(5) 0.6679(3) 0.6502(2) 0.0903(15) Uani 1 1 d . . .
H23A H 0.5290 0.6595 0.6710 0.108 Uiso 1 1 calc R . .
H23B H 0.4045 0.7136 0.6287 0.108 Uiso 1 1 calc R . .
C24 C 0.3412(7) 0.6149(3) 0.5910(3) 0.122(2) Uani 1 1 d . . .
H24A H 0.3741 0.5691 0.6106 0.147 Uiso 1 1 calc R . .
H24B H 0.2380 0.6182 0.5757 0.147 Uiso 1 1 calc R . .
C25 C 0.3599(7) 0.6241(4) 0.5284(3) 0.167(3) Uani 1 1 d . . .
H25A H 0.3048 0.5895 0.4928 0.250 Uiso 1 1 calc R . .
H25B H 0.4616 0.6197 0.5428 0.250 Uiso 1 1 calc R . .
H25C H 0.3256 0.6690 0.5080 0.250 Uiso 1 1 calc R . .
C26 C 0.3732(3) 0.79218(15) 0.83593(15) 0.0338(7) Uani 1 1 d . . .
C27 C 0.2355(3) 0.81897(17) 0.80877(17) 0.0451(8) Uani 1 1 d . . .
H27A H 0.1483 0.7956 0.7802 0.054 Uiso 1 1 calc R . .
C28 C 0.2490(3) 0.88817(17) 0.83164(17) 0.0472(8) Uani 1 1 d . . .
H28A H 0.1725 0.9185 0.8211 0.057 Uiso 1 1 calc R . .
C29 C 0.3944(3) 0.90258(17) 0.87203(17) 0.0452(8) Uani 1 1 d . . .
H29A H 0.4348 0.9447 0.8938 0.054 Uiso 1 1 calc R . .
C30 C 0.7259(3) 0.89317(15) 0.88583(16) 0.0390(7) Uani 1 1 d . . .
C31 C 0.6469(4) 0.91452(17) 0.81411(17) 0.0484(8) Uani 1 1 d . . .
H31A H 0.5548 0.8960 0.7838 0.058 Uiso 1 1 calc R . .
C32 C 0.7041(4) 0.96302(19) 0.78740(19) 0.0595(10) Uani 1 1 d . . .
H32A H 0.6495 0.9776 0.7395 0.071 Uiso 1 1 calc R . .
C33 C 0.8413(4) 0.98986(19) 0.8312(2) 0.0643(10) Uani 1 1 d . . .
H33A H 0.8794 1.0226 0.8130 0.077 Uiso 1 1 calc R . .
C34 C 0.9219(4) 0.96829(19) 0.9018(2) 0.0612(10) Uani 1 1 d . . .
H34A H 1.0156 0.9856 0.9311 0.073 Uiso 1 1 calc R . .
C35 C 0.8647(3) 0.92134(17) 0.92923(17) 0.0474(8) Uani 1 1 d . . .
H35A H 0.9193 0.9080 0.9775 0.057 Uiso 1 1 calc R . .
C36 C 0.7249(3) 0.84596(15) 1.01074(15) 0.0355(7) Uani 1 1 d . . .
C37 C 0.7243(3) 0.91286(17) 1.03271(17) 0.0479(8) Uani 1 1 d . . .
H37A H 0.6890 0.9480 0.9983 0.057 Uiso 1 1 calc R . .
C38 C 0.7744(4) 0.9287(2) 1.10409(19) 0.0595(10) Uani 1 1 d . . .
H38A H 0.7728 0.9742 1.1178 0.071 Uiso 1 1 calc R . .
C39 C 0.8269(4) 0.8775(2) 1.15514(19) 0.0686(11) Uani 1 1 d . . .
H39A H 0.8604 0.8879 1.2036 0.082 Uiso 1 1 calc R . .
C40 C 0.8299(5) 0.8113(2) 1.13476(18) 0.0717(12) Uani 1 1 d . . .
H40A H 0.8663 0.7766 1.1695 0.086 Uiso 1 1 calc R . .
C41 C 0.7792(4) 0.79514(17) 1.06264(17) 0.0518(9) Uani 1 1 d . . .
H41A H 0.7819 0.7497 1.0493 0.062 Uiso 1 1 calc R . .
P1 P 0.87858(9) 0.71629(5) 0.90196(5) 0.0450(2) Uani 1 1 d . . .
P2 P 0.63307(8) 0.62332(4) 0.92116(4) 0.0338(2) Uani 1 1 d . . .
P3 P 0.65531(8) 0.82132(4) 0.91577(4) 0.03321(19) Uani 1 1 d . . .
N1 N 0.4458(2) 0.61138(12) 0.88275(12) 0.0353(6) Uani 1 1 d . . .
N2 N 0.4713(2) 0.84399(12) 0.87500(12) 0.0372(6) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C20 2.007(3) . ?
Co1 P2 2.1070(10) . ?
Co1 P3 2.1177(10) . ?
Co1 P1 2.1821(11) . ?
Co1 C21 2.232(3) . ?
C1 P1 1.823(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 P1 1.839(3) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 P1 1.822(3) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.378(4) . ?
C4 C9 1.391(4) . ?
C4 P2 1.838(3) . ?
C5 C6 1.383(5) . ?
C5 H5A 0.9300 . ?
C6 C7 1.359(6) . ?
C6 H6A 0.9300 . ?
C7 C8 1.362(6) . ?
C7 H7A 0.9300 . ?
C8 C9 1.381(5) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C11 1.386(4) . ?
C10 C15 1.393(4) . ?
C10 P2 1.824(3) . ?
C11 C12 1.389(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.368(5) . ?
C12 H12A 0.9300 . ?
C13 C14 1.370(5) . ?
C13 H13A 0.9300 . ?
C14 C15 1.379(4) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.354(4) . ?
C16 N1 1.375(4) . ?
C16 H16A 0.9300 . ?
C17 C18 1.406(4) . ?
C17 H17A 0.9300 . ?
C18 C19 1.362(4) . ?
C18 H18A 0.9300 . ?
C19 N1 1.390(3) . ?
C19 C20 1.487(4) . ?
C20 C26 1.481(4) . ?
C20 C21 1.520(4) . ?
C21 C22 1.520(4) . ?
C21 H21A 0.9800 . ?
C22 C23 1.503(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.522(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.447(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.368(4) . ?
C26 N2 1.383(4) . ?
C27 C28 1.410(4) . ?
C27 H27A 0.9300 . ?
C28 C29 1.362(4) . ?
C28 H28A 0.9300 . ?
C29 N2 1.378(4) . ?
C29 H29A 0.9300 . ?
C30 C31 1.388(4) . ?
C30 C35 1.395(4) . ?
C30 P3 1.834(3) . ?
C31 C32 1.381(5) . ?
C31 H31A 0.9300 . ?
C32 C33 1.375(5) . ?
C32 H32A 0.9300 . ?
C33 C34 1.371(5) . ?
C33 H33A 0.9300 . ?
C34 C35 1.370(4) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
C36 C41 1.374(4) . ?
C36 C37 1.379(4) . ?
C36 P3 1.835(3) . ?
C37 C38 1.370(4) . ?
C37 H37A 0.9300 . ?
C38 C39 1.368(5) . ?
C38 H38A 0.9300 . ?
C39 C40 1.360(5) . ?
C39 H39A 0.9300 . ?
C40 C41 1.385(4) . ?
C40 H40A 0.9300 . ?
C41 H41A 0.9300 . ?
P2 N1 1.735(2) . ?
P3 N2 1.741(2) . ?

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
C20 Co1 P2 87.08(9) . . ?
C20 Co1 P3 86.64(8) . . ?
P2 Co1 P3 131.42(4) . . ?
C20 Co1 P1 163.02(8) . . ?
P2 Co1 P1 102.16(4) . . ?
P3 Co1 P1 97.41(3) . . ?
C20 Co1 C21 41.61(11) . . ?
P2 Co1 C21 104.48(9) . . ?
P3 Co1 C21 102.07(9) . . ?
P1 Co1 C21 121.54(8) . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 H2A 109.5 . . ?
P1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
P1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
P1 C3 H3A 109.5 . . ?
P1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
P1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C4 C9 117.8(3) . . ?
C5 C4 P2 117.7(3) . . ?
C9 C4 P2 124.4(3) . . ?
C4 C5 C6 121.2(4) . . ?
C4 C5 H5A 119.4 . . ?
C6 C5 H5A 119.4 . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6A 120.0 . . ?
C5 C6 H6A 120.0 . . ?
C8 C7 C6 119.9(4) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C9 120.6(4) . . ?
C7 C8 H8A 119.7 . . ?
C9 C8 H8A 119.7 . . ?
C8 C9 C4 120.4(4) . . ?
C8 C9 H9A 119.8 . . ?
C4 C9 H9A 119.8 . . ?
C11 C10 C15 118.3(3) . . ?
C11 C10 P2 121.3(2) . . ?
C15 C10 P2 119.9(2) . . ?
C10 C11 C12 119.5(3) . . ?
C10 C11 H11A 120.3 . . ?
C12 C11 H11A 120.3 . . ?
C13 C12 C11 121.2(4) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
C13 C14 C15 119.4(4) . . ?
C13 C14 H14A 120.3 . . ?
C15 C14 H14A 120.3 . . ?
C14 C15 C10 121.6(3) . . ?
C14 C15 H15A 119.2 . . ?
C10 C15 H15A 119.2 . . ?
C17 C16 N1 107.9(3) . . ?
C17 C16 H16A 126.0 . . ?
N1 C16 H16A 126.0 . . ?
C16 C17 C18 107.7(3) . . ?
C16 C17 H17A 126.2 . . ?
C18 C17 H17A 126.2 . . ?
C19 C18 C17 108.7(3) . . ?
C19 C18 H18A 125.7 . . ?
C17 C18 H18A 125.7 . . ?
C18 C19 N1 106.5(3) . . ?
C18 C19 C20 136.5(3) . . ?
N1 C19 C20 117.0(2) . . ?
C26 C20 C19 113.2(2) . . ?
C26 C20 C21 113.9(2) . . ?
C19 C20 C21 116.6(2) . . ?
C26 C20 Co1 115.96(19) . . ?
C19 C20 Co1 115.64(19) . . ?
C21 C20 Co1 77.16(17) . . ?
C20 C21 C22 117.8(3) . . ?
C20 C21 Co1 61.24(15) . . ?
C22 C21 Co1 132.8(2) . . ?
C20 C21 H21A 111.5 . . ?
C22 C21 H21A 111.5 . . ?
Co1 C21 H21A 111.5 . . ?
C23 C22 C21 113.4(3) . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C22 C23 C24 113.4(4) . . ?
C22 C23 H23A 108.9 . . ?
C24 C23 H23A 108.9 . . ?
C22 C23 H23B 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C25 C24 C23 113.0(5) . . ?
C25 C24 H24A 109.0 . . ?
C23 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C23 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 N2 107.3(3) . . ?
C27 C26 C20 135.1(3) . . ?
N2 C26 C20 117.5(2) . . ?
C26 C27 C28 108.1(3) . . ?
C26 C27 H27A 125.9 . . ?
C28 C27 H27A 125.9 . . ?
C29 C28 C27 107.6(3) . . ?
C29 C28 H28A 126.2 . . ?
C27 C28 H28A 126.2 . . ?
C28 C29 N2 108.1(3) . . ?
C28 C29 H29A 125.9 . . ?
N2 C29 H29A 125.9 . . ?
C31 C30 C35 118.0(3) . . ?
C31 C30 P3 118.8(2) . . ?
C35 C30 P3 122.7(2) . . ?
C32 C31 C30 120.5(3) . . ?
C32 C31 H31A 119.7 . . ?
C30 C31 H31A 119.7 . . ?
C33 C32 C31 120.4(3) . . ?
C33 C32 H32A 119.8 . . ?
C31 C32 H32A 119.8 . . ?
C34 C33 C32 119.8(3) . . ?
C34 C33 H33A 120.1 . . ?
C32 C33 H33A 120.1 . . ?
C33 C34 C35 120.2(3) . . ?
C33 C34 H34A 119.9 . . ?
C35 C34 H34A 119.9 . . ?
C34 C35 C30 121.0(3) . . ?
C34 C35 H35A 119.5 . . ?
C30 C35 H35A 119.5 . . ?
C41 C36 C37 118.2(3) . . ?
C41 C36 P3 118.4(2) . . ?
C37 C36 P3 123.4(2) . . ?
C38 C37 C36 121.4(3) . . ?
C38 C37 H37A 119.3 . . ?
C36 C37 H37A 119.3 . . ?
C37 C38 C39 119.7(3) . . ?
C37 C38 H38A 120.1 . . ?
C39 C38 H38A 120.1 . . ?
C40 C39 C38 119.8(3) . . ?
C40 C39 H39A 120.1 . . ?
C38 C39 H39A 120.1 . . ?
C39 C40 C41 120.6(3) . . ?
C39 C40 H40A 119.7 . . ?
C41 C40 H40A 119.7 . . ?
C36 C41 C40 120.2(3) . . ?
C36 C41 H41A 119.9 . . ?
C40 C41 H41A 119.9 . . ?
C1 P1 C3 99.51(19) . . ?
C1 P1 C2 102.1(2) . . ?
C3 P1 C2 99.04(17) . . ?
C1 P1 Co1 114.81(14) . . ?
C3 P1 Co1 120.65(12) . . ?
C2 P1 Co1 117.49(13) . . ?
N1 P2 C10 102.75(13) . . ?
N1 P2 C4 98.21(12) . . ?
C10 P2 C4 101.05(14) . . ?
N1 P2 Co1 104.24(8) . . ?
C10 P2 Co1 118.79(10) . . ?
C4 P2 Co1 127.45(11) . . ?
N2 P3 C30 100.26(13) . . ?
N2 P3 C36 102.74(12) . . ?
C30 P3 C36 100.00(13) . . ?
N2 P3 Co1 104.21(9) . . ?
C30 P3 Co1 121.37(10) . . ?
C36 P3 Co1 124.41(10) . . ?
C16 N1 C19 109.2(2) . . ?
C16 N1 P2 134.8(2) . . ?
C19 N1 P2 115.95(19) . . ?
C29 N2 C26 108.9(2) . . ?
C29 N2 P3 135.6(2) . . ?
C26 N2 P3 115.5(2) . . ?

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
C9 C4 C5 C6 -0.2(5) . . . . ?
P2 C4 C5 C6 -176.1(3) . . . . ?
C4 C5 C6 C7 -0.3(6) . . . . ?
C5 C6 C7 C8 1.4(6) . . . . ?
C6 C7 C8 C9 -2.0(6) . . . . ?
C7 C8 C9 C4 1.5(6) . . . . ?
C5 C4 C9 C8 -0.3(5) . . . . ?
P2 C4 C9 C8 175.2(3) . . . . ?
C15 C10 C11 C12 -0.2(5) . . . . ?
P2 C10 C11 C12 -172.1(2) . . . . ?
C10 C11 C12 C13 0.3(5) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C12 C13 C14 C15 -0.2(6) . . . . ?
C13 C14 C15 C10 0.2(5) . . . . ?
C11 C10 C15 C14 0.0(5) . . . . ?
P2 C10 C15 C14 172.0(3) . . . . ?
N1 C16 C17 C18 0.4(4) . . . . ?
C16 C17 C18 C19 0.4(4) . . . . ?
C17 C18 C19 N1 -1.0(4) . . . . ?
C17 C18 C19 C20 177.3(3) . . . . ?
C18 C19 C20 C26 45.9(5) . . . . ?
N1 C19 C20 C26 -135.9(3) . . . . ?
C18 C19 C20 C21 -89.0(4) . . . . ?
N1 C19 C20 C21 89.3(3) . . . . ?
C18 C19 C20 Co1 -176.9(3) . . . . ?
N1 C19 C20 Co1 1.3(3) . . . . ?
P2 Co1 C20 C26 133.7(2) . . . . ?
P3 Co1 C20 C26 1.9(2) . . . . ?
P1 Co1 C20 C26 -102.6(3) . . . . ?
C21 Co1 C20 C26 -110.5(3) . . . . ?
P2 Co1 C20 C19 -2.22(19) . . . . ?
P3 Co1 C20 C19 -134.0(2) . . . . ?
P1 Co1 C20 C19 121.5(3) . . . . ?
C21 Co1 C20 C19 113.5(3) . . . . ?
P2 Co1 C20 C21 -115.76(16) . . . . ?
P3 Co1 C20 C21 112.44(16) . . . . ?
P1 Co1 C20 C21 8.0(4) . . . . ?
C26 C20 C21 C22 -121.1(3) . . . . ?
C19 C20 C21 C22 13.4(4) . . . . ?
Co1 C20 C21 C22 125.9(3) . . . . ?
C26 C20 C21 Co1 113.0(2) . . . . ?
C19 C20 C21 Co1 -112.5(2) . . . . ?
P2 Co1 C21 C20 68.28(16) . . . . ?
P3 Co1 C21 C20 -70.66(16) . . . . ?
P1 Co1 C21 C20 -177.28(13) . . . . ?
C20 Co1 C21 C22 -102.5(3) . . . . ?
P2 Co1 C21 C22 -34.3(3) . . . . ?
P3 Co1 C21 C22 -173.2(3) . . . . ?
P1 Co1 C21 C22 80.2(3) . . . . ?
C20 C21 C22 C23 179.9(3) . . . . ?
Co1 C21 C22 C23 -104.8(4) . . . . ?
C21 C22 C23 C24 -176.8(4) . . . . ?
C22 C23 C24 C25 170.5(5) . . . . ?
C19 C20 C26 C27 -46.2(5) . . . . ?
C21 C20 C26 C27 90.0(4) . . . . ?
Co1 C20 C26 C27 176.8(3) . . . . ?
C19 C20 C26 N2 137.4(3) . . . . ?
C21 C20 C26 N2 -86.5(3) . . . . ?
Co1 C20 C26 N2 0.4(3) . . . . ?
N2 C26 C27 C28 -0.2(3) . . . . ?
C20 C26 C27 C28 -176.9(3) . . . . ?
C26 C27 C28 C29 0.3(4) . . . . ?
C27 C28 C29 N2 -0.3(4) . . . . ?
C35 C30 C31 C32 -1.0(5) . . . . ?
P3 C30 C31 C32 -172.7(3) . . . . ?
C30 C31 C32 C33 1.2(5) . . . . ?
C31 C32 C33 C34 0.1(6) . . . . ?
C32 C33 C34 C35 -1.6(6) . . . . ?
C33 C34 C35 C30 1.8(6) . . . . ?
C31 C30 C35 C34 -0.5(5) . . . . ?
P3 C30 C35 C34 170.9(3) . . . . ?
C41 C36 C37 C38 -0.8(5) . . . . ?
P3 C36 C37 C38 178.5(3) . . . . ?
C36 C37 C38 C39 0.2(5) . . . . ?
C37 C38 C39 C40 0.5(6) . . . . ?
C38 C39 C40 C41 -0.5(6) . . . . ?
C37 C36 C41 C40 0.8(5) . . . . ?
P3 C36 C41 C40 -178.6(3) . . . . ?
C39 C40 C41 C36 -0.1(6) . . . . ?
C20 Co1 P1 C1 32.4(3) . . . . ?
P2 Co1 P1 C1 154.25(16) . . . . ?
P3 Co1 P1 C1 -70.48(17) . . . . ?
C21 Co1 P1 C1 38.62(19) . . . . ?
C20 Co1 P1 C3 -86.6(3) . . . . ?
P2 Co1 P1 C3 35.20(16) . . . . ?
P3 Co1 P1 C3 170.47(15) . . . . ?
C21 Co1 P1 C3 -80.42(18) . . . . ?
C20 Co1 P1 C2 152.4(3) . . . . ?
P2 Co1 P1 C2 -85.75(15) . . . . ?
P3 Co1 P1 C2 49.52(15) . . . . ?
C21 Co1 P1 C2 158.63(18) . . . . ?
C11 C10 P2 N1 -27.6(3) . . . . ?
C15 C10 P2 N1 160.6(2) . . . . ?
C11 C10 P2 C4 -128.8(3) . . . . ?
C15 C10 P2 C4 59.5(3) . . . . ?
C11 C10 P2 Co1 86.7(3) . . . . ?
C15 C10 P2 Co1 -85.0(3) . . . . ?
C5 C4 P2 N1 91.8(3) . . . . ?
C9 C4 P2 N1 -83.8(3) . . . . ?
C5 C4 P2 C10 -163.4(2) . . . . ?
C9 C4 P2 C10 21.0(3) . . . . ?
C5 C4 P2 Co1 -23.3(3) . . . . ?
C9 C4 P2 Co1 161.2(2) . . . . ?
C20 Co1 P2 N1 2.28(11) . . . . ?
P3 Co1 P2 N1 85.19(9) . . . . ?
P1 Co1 P2 N1 -163.34(8) . . . . ?
C21 Co1 P2 N1 -35.87(12) . . . . ?
C20 Co1 P2 C10 -111.25(14) . . . . ?
P3 Co1 P2 C10 -28.34(13) . . . . ?
P1 Co1 P2 C10 83.13(12) . . . . ?
C21 Co1 P2 C10 -149.40(14) . . . . ?
C20 Co1 P2 C4 114.61(15) . . . . ?
P3 Co1 P2 C4 -162.47(12) . . . . ?
P1 Co1 P2 C4 -51.01(13) . . . . ?
C21 Co1 P2 C4 76.47(15) . . . . ?
C31 C30 P3 N2 -44.0(3) . . . . ?
C35 C30 P3 N2 144.7(3) . . . . ?
C31 C30 P3 C36 -149.1(3) . . . . ?
C35 C30 P3 C36 39.6(3) . . . . ?
C31 C30 P3 Co1 69.7(3) . . . . ?
C35 C30 P3 Co1 -101.6(3) . . . . ?
C41 C36 P3 N2 117.2(3) . . . . ?
C37 C36 P3 N2 -62.1(3) . . . . ?
C41 C36 P3 C30 -139.7(3) . . . . ?
C37 C36 P3 C30 40.9(3) . . . . ?
C41 C36 P3 Co1 -0.2(3) . . . . ?
C37 C36 P3 Co1 -179.5(2) . . . . ?
C20 Co1 P3 N2 -3.05(12) . . . . ?
P2 Co1 P3 N2 -86.16(9) . . . . ?
P1 Co1 P3 N2 160.39(9) . . . . ?
C21 Co1 P3 N2 35.83(12) . . . . ?
C20 Co1 P3 C30 -114.74(14) . . . . ?
P2 Co1 P3 C30 162.15(11) . . . . ?
P1 Co1 P3 C30 48.69(12) . . . . ?
C21 Co1 P3 C30 -75.87(14) . . . . ?
C20 Co1 P3 C36 113.65(14) . . . . ?
P2 Co1 P3 C36 30.53(13) . . . . ?
P1 Co1 P3 C36 -82.92(12) . . . . ?
C21 Co1 P3 C36 152.52(14) . . . . ?
C17 C16 N1 C19 -1.1(3) . . . . ?
C17 C16 N1 P2 -178.8(2) . . . . ?
C18 C19 N1 C16 1.3(3) . . . . ?
C20 C19 N1 C16 -177.4(2) . . . . ?
C18 C19 N1 P2 179.5(2) . . . . ?
C20 C19 N1 P2 0.8(3) . . . . ?
C10 P2 N1 C16 -60.2(3) . . . . ?
C4 P2 N1 C16 43.2(3) . . . . ?
Co1 P2 N1 C16 175.3(3) . . . . ?
C10 P2 N1 C19 122.2(2) . . . . ?
C4 P2 N1 C19 -134.4(2) . . . . ?
Co1 P2 N1 C19 -2.3(2) . . . . ?
C28 C29 N2 C26 0.1(3) . . . . ?
C28 C29 N2 P3 -179.0(2) . . . . ?
C27 C26 N2 C29 0.1(3) . . . . ?
C20 C26 N2 C29 177.4(2) . . . . ?
C27 C26 N2 P3 179.4(2) . . . . ?
C20 C26 N2 P3 -3.2(3) . . . . ?
C30 P3 N2 C29 -50.4(3) . . . . ?
C36 P3 N2 C29 52.5(3) . . . . ?
Co1 P3 N2 C29 -176.6(3) . . . . ?
C30 P3 N2 C26 130.5(2) . . . . ?
C36 P3 N2 C26 -126.7(2) . . . . ?
Co1 P3 N2 C26 4.2(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.069
