# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2014


data_(PNPCoH)2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H72 Co2 N2 P4'
_chemical_formula_sum            'C32 H72 Co2 N2 P4'
_chemical_formula_weight         726.66

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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.7022(16)
_cell_length_b                   12.226(2)
_cell_length_c                   17.863(3)
_cell_angle_alpha                108.791(3)
_cell_angle_beta                 95.504(2)
_cell_angle_gamma                102.746(2)
_cell_volume                     1924.4(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    105(2)
_cell_measurement_reflns_used    4500
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.14

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.603
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      105(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  'Bruker APEX-I CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            20831
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0853
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7179
_reflns_number_gt                4597
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    Sir-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ortep-32
_computing_publication_material  WinGX

_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)+(0.0570P)²+0.4146P] 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         7053
_refine_ls_number_parameters     377
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0971
_refine_ls_R_factor_gt           0.0499
_refine_ls_wR_factor_ref         0.1275
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_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
C1 C 0.5297(4) 0.3167(4) 0.3162(3) 0.0290(10) Uani 1 1 d . . .
H1A H 0.5762 0.3067 0.3632 0.035 Uiso 1 1 calc R . .
H1B H 0.5790 0.3947 0.3158 0.035 Uiso 1 1 calc R . .
C2 C 0.5474(4) 0.2213(3) 0.2419(2) 0.0267(10) Uani 1 1 d . . .
H2A H 0.6421 0.2086 0.2500 0.032 Uiso 1 1 calc R . .
H2B H 0.5391 0.2477 0.1964 0.032 Uiso 1 1 calc R . .
C3 C 0.4163(4) 0.0046(4) 0.1120(2) 0.0271(10) Uani 1 1 d . . .
H3 H 0.4139 0.0657 0.0878 0.033 Uiso 1 1 calc R . .
C4 C 0.5557(5) -0.0298(4) 0.0965(3) 0.0439(13) Uani 1 1 d . . .
H4A H 0.5619 -0.0937 0.1157 0.066 Uiso 1 1 calc R . .
H4B H 0.6360 0.0384 0.1243 0.066 Uiso 1 1 calc R . .
H4C H 0.5568 -0.0556 0.0399 0.066 Uiso 1 1 calc R . .
C5 C 0.2873(5) -0.0993(4) 0.0650(3) 0.0414(13) Uani 1 1 d . . .
H5A H 0.2911 -0.1225 0.0087 0.062 Uiso 1 1 calc R . .
H5B H 0.2008 -0.0753 0.0742 0.062 Uiso 1 1 calc R . .
H5C H 0.2882 -0.1659 0.0822 0.062 Uiso 1 1 calc R . .
C6 C 0.5022(5) -0.0036(4) 0.2701(3) 0.0309(11) Uani 1 1 d . . .
H6 H 0.5871 -0.0138 0.2458 0.037 Uiso 1 1 calc R . .
C7 C 0.5526(5) 0.0668(4) 0.3594(3) 0.0399(12) Uani 1 1 d . . .
H7A H 0.4737 0.0903 0.3827 0.060 Uiso 1 1 calc R . .
H7B H 0.6283 0.1370 0.3671 0.060 Uiso 1 1 calc R . .
H7C H 0.5875 0.0176 0.3850 0.060 Uiso 1 1 calc R . .
C8 C 0.4069(5) -0.1266(4) 0.2560(3) 0.0502(14) Uani 1 1 d . . .
H8A H 0.4567 -0.1671 0.2828 0.075 Uiso 1 1 calc R . .
H8B H 0.3827 -0.1720 0.1994 0.075 Uiso 1 1 calc R . .
H8C H 0.3206 -0.1190 0.2770 0.075 Uiso 1 1 calc R . .
C9 C 0.3867(4) 0.3918(4) 0.4084(2) 0.0289(10) Uani 1 1 d . . .
H9A H 0.4749 0.4560 0.4251 0.035 Uiso 1 1 calc R . .
H9B H 0.3913 0.3441 0.4422 0.035 Uiso 1 1 calc R . .
C10 C 0.2617(5) 0.4465(4) 0.4226(3) 0.0319(11) Uani 1 1 d . . .
H10A H 0.2893 0.5163 0.4717 0.038 Uiso 1 1 calc R . .
H10B H 0.1814 0.3889 0.4289 0.038 Uiso 1 1 calc R . .
C11 C 0.3366(5) 0.6405(4) 0.3580(3) 0.0384(12) Uani 1 1 d . . .
H11 H 0.3005 0.6727 0.3188 0.046 Uiso 1 1 calc R . .
C12 C 0.4849(6) 0.6292(4) 0.3433(3) 0.0542(15) Uani 1 1 d . . .
H12A H 0.5425 0.7047 0.3447 0.081 Uiso 1 1 calc R . .
H12B H 0.4769 0.5692 0.2916 0.081 Uiso 1 1 calc R . .
H12C H 0.5292 0.6065 0.3843 0.081 Uiso 1 1 calc R . .
C13 C 0.3503(6) 0.7343(4) 0.4409(3) 0.0601(17) Uani 1 1 d . . .
H13A H 0.3955 0.7106 0.4811 0.090 Uiso 1 1 calc R . .
H13B H 0.2565 0.7410 0.4509 0.090 Uiso 1 1 calc R . .
H13C H 0.4074 0.8104 0.4428 0.090 Uiso 1 1 calc R . .
C14 C 0.0467(5) 0.5426(4) 0.3657(3) 0.0440(13) Uani 1 1 d . . .
H14 H 0.0777 0.6042 0.4195 0.053 Uiso 1 1 calc R . .
C15 C -0.0720(6) 0.4473(5) 0.3715(4) 0.075(2) Uani 1 1 d . . .
H15A H -0.1521 0.4792 0.3847 0.113 Uiso 1 1 calc R . .
H15B H -0.0398 0.4192 0.4126 0.113 Uiso 1 1 calc R . .
H15C H -0.1009 0.3820 0.3208 0.113 Uiso 1 1 calc R . .
C16 C -0.0085(6) 0.6023(6) 0.3104(4) 0.0722(19) Uani 1 1 d . . .
H16A H -0.0469 0.5435 0.2576 0.108 Uiso 1 1 calc R . .
H16B H 0.0692 0.6638 0.3073 0.108 Uiso 1 1 calc R . .
H16C H -0.0824 0.6372 0.3314 0.108 Uiso 1 1 calc R . .
C17 C -0.0657(4) 0.1398(4) 0.2221(3) 0.0347(11) Uani 1 1 d . . .
H17A H -0.1206 0.0614 0.1848 0.042 Uiso 1 1 calc R . .
H17B H -0.1197 0.1967 0.2192 0.042 Uiso 1 1 calc R . .
C18 C -0.0521(4) 0.1361(4) 0.3059(3) 0.0333(11) Uani 1 1 d . . .
H18A H -0.1432 0.0936 0.3138 0.040 Uiso 1 1 calc R . .
H18B H -0.0248 0.2169 0.3452 0.040 Uiso 1 1 calc R . .
C19 C -0.0088(5) -0.1043(4) 0.2690(3) 0.0348(11) Uani 1 1 d . . .
H19 H 0.0422 -0.1461 0.2959 0.042 Uiso 1 1 calc R . .
C20 C 0.0020(6) -0.1550(4) 0.1813(3) 0.0540(15) Uani 1 1 d . . .
H20A H -0.0319 -0.2408 0.1622 0.081 Uiso 1 1 calc R . .
H20B H 0.1003 -0.1321 0.1752 0.081 Uiso 1 1 calc R . .
H20C H -0.0556 -0.1241 0.1506 0.081 Uiso 1 1 calc R . .
C21 C -0.1645(5) -0.1404(5) 0.2789(3) 0.0532(15) Uani 1 1 d . . .
H21A H -0.2220 -0.1085 0.2490 0.080 Uiso 1 1 calc R . .
H21B H -0.1708 -0.1091 0.3347 0.080 Uiso 1 1 calc R . .
H21C H -0.1989 -0.2262 0.2591 0.080 Uiso 1 1 calc R . .
C22 C 0.0939(5) 0.0668(4) 0.4263(3) 0.0396(12) Uani 1 1 d . . .
H22 H 0.0039 0.0133 0.4283 0.048 Uiso 1 1 calc R . .
C23 C 0.2124(6) 0.0189(6) 0.4505(4) 0.074(2) Uani 1 1 d . . .
H23A H 0.3032 0.0735 0.4549 0.111 Uiso 1 1 calc R . .
H23B H 0.2060 -0.0577 0.4108 0.111 Uiso 1 1 calc R . .
H23C H 0.2043 0.0099 0.5015 0.111 Uiso 1 1 calc R . .
C24 C 0.1022(8) 0.1894(5) 0.4840(3) 0.079(2) Uani 1 1 d . . .
H24A H 0.1041 0.1873 0.5374 0.118 Uiso 1 1 calc R . .
H24B H 0.0197 0.2141 0.4689 0.118 Uiso 1 1 calc R . .
H24C H 0.1879 0.2452 0.4827 0.118 Uiso 1 1 calc R . .
C25 C 0.0349(5) 0.1323(4) 0.1069(3) 0.0348(11) Uani 1 1 d . . .
H25A H -0.0503 0.1559 0.0930 0.042 Uiso 1 1 calc R . .
H25B H 0.0109 0.0454 0.0856 0.042 Uiso 1 1 calc R . .
C26 C 0.1515(5) 0.1804(4) 0.0665(3) 0.0354(11) Uani 1 1 d . . .
H26A H 0.1093 0.1751 0.0136 0.042 Uiso 1 1 calc R . .
H26B H 0.2197 0.1322 0.0600 0.042 Uiso 1 1 calc R . .
C27 C 0.4158(5) 0.3473(4) 0.0832(3) 0.0427(13) Uani 1 1 d . . .
H27 H 0.4436 0.2745 0.0821 0.051 Uiso 1 1 calc R . .
C28 C 0.5435(5) 0.4511(5) 0.1369(3) 0.0514(14) Uani 1 1 d . . .
H28A H 0.6294 0.4429 0.1158 0.077 Uiso 1 1 calc R . .
H28B H 0.5546 0.4492 0.1904 0.077 Uiso 1 1 calc R . .
H28C H 0.5261 0.5259 0.1381 0.077 Uiso 1 1 calc R . .
C29 C 0.3974(6) 0.3405(5) -0.0039(3) 0.0533(15) Uani 1 1 d . . .
H29A H 0.3762 0.4122 -0.0070 0.080 Uiso 1 1 calc R . .
H29B H 0.3198 0.2722 -0.0357 0.080 Uiso 1 1 calc R . .
H29C H 0.4844 0.3328 -0.0239 0.080 Uiso 1 1 calc R . .
C30 C 0.1496(5) 0.4231(4) 0.0806(3) 0.0402(12) Uani 1 1 d . . .
H30 H 0.1573 0.3987 0.0235 0.048 Uiso 1 1 calc R . .
C31 C -0.0081(5) 0.3942(5) 0.0856(3) 0.0562(16) Uani 1 1 d . . .
H31A H -0.0185 0.4125 0.1408 0.084 Uiso 1 1 calc R . .
H31B H -0.0519 0.3105 0.0562 0.084 Uiso 1 1 calc R . .
H31C H -0.0540 0.4411 0.0628 0.084 Uiso 1 1 calc R . .
C32 C 0.2181(6) 0.5574(4) 0.1189(3) 0.0503(14) Uani 1 1 d . . .
H32A H 0.1615 0.5992 0.0974 0.075 Uiso 1 1 calc R . .
H32B H 0.3134 0.5758 0.1075 0.075 Uiso 1 1 calc R . .
H32C H 0.2226 0.5819 0.1760 0.075 Uiso 1 1 calc R . .
N1 N 0.3793(3) 0.3151(3) 0.32372(19) 0.0222(8) Uani 1 1 d . . .
N2 N 0.0728(3) 0.1732(3) 0.1959(2) 0.0261(8) Uani 1 1 d . . .
P1 P 0.40857(11) 0.07926(10) 0.22066(7) 0.0234(3) Uani 1 1 d . . .
P2 P 0.20742(12) 0.49046(10) 0.33733(7) 0.0295(3) Uani 1 1 d . . .
P3 P 0.08649(12) 0.05861(10) 0.31859(7) 0.0289(3) Uani 1 1 d . . .
P4 P 0.24586(13) 0.33787(10) 0.12687(7) 0.0298(3) Uani 1 1 d . . .
Co1 Co 0.23676(6) 0.15614(5) 0.26293(3) 0.02190(16) Uani 1 1 d . . .
Co2 Co 0.22821(6) 0.32806(5) 0.24538(3) 0.02270(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
C1 N1 1.475(5) . ?
C1 C2 1.511(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 P1 1.849(4) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C5 1.515(6) . ?
C3 C4 1.525(6) . ?
C3 P1 1.877(4) . ?
C3 H3 0.9800 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C8 1.510(6) . ?
C6 C7 1.519(6) . ?
C6 P1 1.860(4) . ?
C6 H6 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 N1 1.487(5) . ?
C9 C10 1.513(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 P2 1.840(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.514(7) . ?
C11 C13 1.526(6) . ?
C11 P2 1.879(4) . ?
C11 H11 0.9800 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.484(7) . ?
C14 C16 1.527(6) . ?
C14 P2 1.864(5) . ?
C14 H14 0.9800 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 N2 1.482(5) . ?
C17 C18 1.506(6) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 P3 1.843(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.512(6) . ?
C19 C21 1.522(6) . ?
C19 P3 1.871(4) . ?
C19 H19 0.9800 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.489(7) . ?
C22 C24 1.501(7) . ?
C22 P3 1.887(5) . ?
C22 H22 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N2 1.485(5) . ?
C25 C26 1.511(6) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 P4 1.844(4) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C29 1.521(6) . ?
C27 C28 1.536(6) . ?
C27 P4 1.887(5) . ?
C27 H27 0.9800 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 C31 1.510(7) . ?
C30 C32 1.521(6) . ?
C30 P4 1.865(5) . ?
C30 H30 0.9800 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
N1 Co2 1.996(3) . ?
N1 Co1 2.009(3) . ?
N2 Co1 1.988(3) . ?
N2 Co2 2.011(3) . ?
P1 Co1 2.1698(12) . ?
P2 Co2 2.1955(13) . ?
P3 Co1 2.1934(13) . ?
P4 Co2 2.1793(13) . ?
Co1 Co2 2.2404(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 114.6(3) . . ?
N1 C1 H1A 108.6 . . ?
C2 C1 H1A 108.6 . . ?
N1 C1 H1B 108.6 . . ?
C2 C1 H1B 108.6 . . ?
H1A C1 H1B 107.6 . . ?
C1 C2 P1 110.2(3) . . ?
C1 C2 H2A 109.6 . . ?
P1 C2 H2A 109.6 . . ?
C1 C2 H2B 109.6 . . ?
P1 C2 H2B 109.6 . . ?
H2A C2 H2B 108.1 . . ?
C5 C3 C4 110.7(4) . . ?
C5 C3 P1 114.9(3) . . ?
C4 C3 P1 115.0(3) . . ?
C5 C3 H3 105.0 . . ?
C4 C3 H3 105.0 . . ?
P1 C3 H3 105.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C6 C7 110.7(4) . . ?
C8 C6 P1 110.9(3) . . ?
C7 C6 P1 111.0(3) . . ?
C8 C6 H6 108.0 . . ?
C7 C6 H6 108.0 . . ?
P1 C6 H6 108.0 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 C10 114.6(3) . . ?
N1 C9 H9A 108.6 . . ?
C10 C9 H9A 108.6 . . ?
N1 C9 H9B 108.6 . . ?
C10 C9 H9B 108.6 . . ?
H9A C9 H9B 107.6 . . ?
C9 C10 P2 110.0(3) . . ?
C9 C10 H10A 109.7 . . ?
P2 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
P2 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C13 109.0(4) . . ?
C12 C11 P2 111.9(3) . . ?
C13 C11 P2 115.9(4) . . ?
C12 C11 H11 106.5 . . ?
C13 C11 H11 106.5 . . ?
P2 C11 H11 106.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 110.3(5) . . ?
C15 C14 P2 113.6(4) . . ?
C16 C14 P2 112.5(4) . . ?
C15 C14 H14 106.7 . . ?
C16 C14 H14 106.7 . . ?
P2 C14 H14 106.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 C18 114.7(3) . . ?
N2 C17 H17A 108.6 . . ?
C18 C17 H17A 108.6 . . ?
N2 C17 H17B 108.6 . . ?
C18 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C17 C18 P3 108.1(3) . . ?
C17 C18 H18A 110.1 . . ?
P3 C18 H18A 110.1 . . ?
C17 C18 H18B 110.1 . . ?
P3 C18 H18B 110.1 . . ?
H18A C18 H18B 108.4 . . ?
C20 C19 C21 109.7(4) . . ?
C20 C19 P3 113.6(3) . . ?
C21 C19 P3 115.8(3) . . ?
C20 C19 H19 105.6 . . ?
C21 C19 H19 105.6 . . ?
P3 C19 H19 105.6 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C24 112.1(5) . . ?
C23 C22 P3 110.3(4) . . ?
C24 C22 P3 113.5(3) . . ?
C23 C22 H22 106.8 . . ?
C24 C22 H22 106.8 . . ?
P3 C22 H22 106.8 . . ?
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 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N2 C25 C26 114.8(3) . . ?
N2 C25 H25A 108.6 . . ?
C26 C25 H25A 108.6 . . ?
N2 C25 H25B 108.6 . . ?
C26 C25 H25B 108.6 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 P4 110.6(3) . . ?
C25 C26 H26A 109.5 . . ?
P4 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
P4 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C29 C27 C28 112.2(4) . . ?
C29 C27 P4 115.0(4) . . ?
C28 C27 P4 113.8(3) . . ?
C29 C27 H27 104.8 . . ?
C28 C27 H27 104.8 . . ?
P4 C27 H27 104.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C32 110.5(4) . . ?
C31 C30 P4 111.4(3) . . ?
C32 C30 P4 111.3(3) . . ?
C31 C30 H30 107.8 . . ?
C32 C30 H30 107.8 . . ?
P4 C30 H30 107.8 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 N1 C9 104.9(3) . . ?
C1 N1 Co2 127.7(3) . . ?
C9 N1 Co2 113.9(2) . . ?
C1 N1 Co1 114.4(2) . . ?
C9 N1 Co1 126.2(3) . . ?
Co2 N1 Co1 68.03(10) . . ?
C17 N2 C25 104.5(3) . . ?
C17 N2 Co1 112.7(3) . . ?
C25 N2 Co1 128.9(3) . . ?
C17 N2 Co2 127.5(3) . . ?
C25 N2 Co2 114.0(3) . . ?
Co1 N2 Co2 68.14(11) . . ?
C2 P1 C6 102.9(2) . . ?
C2 P1 C3 98.83(19) . . ?
C6 P1 C3 102.08(19) . . ?
C2 P1 Co1 97.74(13) . . ?
C6 P1 Co1 124.88(14) . . ?
C3 P1 Co1 124.50(14) . . ?
C10 P2 C14 101.3(2) . . ?
C10 P2 C11 104.5(2) . . ?
C14 P2 C11 98.6(2) . . ?
C10 P2 Co2 94.70(14) . . ?
C14 P2 Co2 131.59(17) . . ?
C11 P2 Co2 121.10(15) . . ?
C18 P3 C19 104.3(2) . . ?
C18 P3 C22 102.5(2) . . ?
C19 P3 C22 97.8(2) . . ?
C18 P3 Co1 93.73(15) . . ?
C19 P3 Co1 122.74(15) . . ?
C22 P3 Co1 130.88(16) . . ?
C26 P4 C30 102.8(2) . . ?
C26 P4 C27 98.4(2) . . ?
C30 P4 C27 102.7(2) . . ?
C26 P4 Co2 97.90(15) . . ?
C30 P4 Co2 123.92(17) . . ?
C27 P4 Co2 124.95(16) . . ?
N2 Co1 N1 111.68(13) . . ?
N2 Co1 P1 126.85(11) . . ?
N1 Co1 P1 90.54(9) . . ?
N2 Co1 P3 90.20(10) . . ?
N1 Co1 P3 123.79(10) . . ?
P1 Co1 P3 117.22(5) . . ?
N2 Co1 Co2 56.42(10) . . ?
N1 Co1 Co2 55.71(10) . . ?
P1 Co1 Co2 117.01(4) . . ?
P3 Co1 Co2 125.77(4) . . ?
N1 Co2 N2 111.23(14) . . ?
N1 Co2 P4 127.54(10) . . ?
N2 Co2 P4 90.65(11) . . ?
N1 Co2 P2 89.69(10) . . ?
N2 Co2 P2 125.16(10) . . ?
P4 Co2 P2 116.31(5) . . ?
N1 Co2 Co1 56.25(9) . . ?
N2 Co2 Co1 55.44(10) . . ?
P4 Co2 Co1 117.54(4) . . ?
P2 Co2 Co1 126.14(4) . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.094

_database_code_depnum_ccdc_archive 'CCDC 952842'

data_PNPCoH2Cl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H39 Cl Co N P2'
_chemical_formula_sum            'C16 H39 Cl Co N P2'
_chemical_formula_weight         401.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.526(6)
_cell_length_b                   15.026(8)
_cell_length_c                   15.316(8)
_cell_angle_alpha                62.877(7)
_cell_angle_beta                 86.128(8)
_cell_angle_gamma                85.906(8)
_cell_volume                     2149(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9806
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      25.51

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             864
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.733
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'QUAZAR multilayer mirrors'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            47974
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         25.54
_reflns_number_total             8032
_reflns_number_gt                6800
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    Sir-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX

_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)+(0.0328P)²+4.0597P] 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         7961
_refine_ls_number_parameters     411
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.1096
_refine_ls_wR_factor_gt          0.1038
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_restrained_S_all      1.123
_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
Co2 Co 0.56311(4) 0.16457(3) 0.56065(3) 0.02977(12) Uani 1 1 d . . .
Co1 Co 0.95735(4) 0.67010(3) 0.06453(3) 0.02926(12) Uani 1 1 d . . .
P1 P 1.12773(9) 0.64733(7) 0.14270(6) 0.0328(2) Uani 1 1 d . . .
Cl1 Cl 0.92236(8) 0.50016(6) 0.13216(6) 0.03546(19) Uani 1 1 d . . .
P4 P 0.38228(9) 0.14417(7) 0.63790(6) 0.0338(2) Uani 1 1 d . . .
P3 P 0.72792(9) 0.21361(7) 0.46479(6) 0.0341(2) Uani 1 1 d . . .
P2 P 0.80284(8) 0.71761(7) -0.03365(6) 0.03170(19) Uani 1 1 d . . .
Cl2 Cl 0.61595(9) -0.00543(6) 0.61652(6) 0.0393(2) Uani 1 1 d . . .
N1 N 1.0685(3) 0.6622(2) -0.04634(19) 0.0314(6) Uani 1 1 d . . .
H1 H 1.0653 0.5982 -0.0374 0.038 Uiso 1 1 calc R . .
N2 N 0.4720(3) 0.1695(2) 0.44533(19) 0.0315(6) Uani 1 1 d . . .
H2 H 0.4752 0.1055 0.4534 0.038 Uiso 1 1 calc R . .
C17 C 0.5335(4) 0.2295(3) 0.3488(2) 0.0395(8) Uani 1 1 d . . .
H17A H 0.5127 0.3000 0.3282 0.047 Uiso 1 1 calc R . .
H17B H 0.5020 0.2121 0.3007 0.047 Uiso 1 1 calc R . .
C1 C 1.0194(3) 0.7267(3) -0.1444(2) 0.0380(8) Uani 1 1 d . . .
H1A H 1.0639 0.7093 -0.1924 0.046 Uiso 1 1 calc R . .
H1B H 1.0342 0.7962 -0.1628 0.046 Uiso 1 1 calc R . .
C2 C 0.8783(3) 0.7135(3) -0.1435(2) 0.0376(8) Uani 1 1 d . . .
H2A H 0.8644 0.6499 -0.1423 0.045 Uiso 1 1 calc R . .
H2B H 0.8415 0.7665 -0.2021 0.045 Uiso 1 1 calc R . .
C18 C 0.6761(4) 0.2106(3) 0.3537(2) 0.0434(9) Uani 1 1 d . . .
H18A H 0.7177 0.2616 0.2958 0.052 Uiso 1 1 calc R . .
H18B H 0.6991 0.1459 0.3561 0.052 Uiso 1 1 calc R . .
C10 C 1.2466(3) 0.6235(3) 0.0616(3) 0.0424(9) Uani 1 1 d . . .
H10A H 1.3286 0.6465 0.0661 0.051 Uiso 1 1 calc R . .
H10B H 1.2560 0.5522 0.0814 0.051 Uiso 1 1 calc R . .
C3 C 0.7294(4) 0.8443(3) -0.0787(3) 0.0414(8) Uani 1 1 d . . .
H3 H 0.6586 0.8491 -0.1192 0.050 Uiso 1 1 calc R . .
C30 C 0.3518(4) 0.0240(3) 0.7464(3) 0.0436(9) Uani 1 1 d . . .
H30 H 0.3776 -0.0281 0.7262 0.052 Uiso 1 1 calc R . .
C32 C 0.4348(4) 0.0057(3) 0.8294(3) 0.0513(10) Uani 1 1 d . . .
H32A H 0.4086 0.0514 0.8558 0.077 Uiso 1 1 calc R . .
H32B H 0.5220 0.0160 0.8056 0.077 Uiso 1 1 calc R . .
H32C H 0.4271 -0.0618 0.8798 0.077 Uiso 1 1 calc R . .
C26 C 0.2780(3) 0.1397(3) 0.5489(3) 0.0424(9) Uani 1 1 d . . .
H26A H 0.2698 0.0709 0.5618 0.051 Uiso 1 1 calc R . .
H26B H 0.1938 0.1678 0.5547 0.051 Uiso 1 1 calc R . .
C6 C 0.6721(3) 0.6327(3) -0.0050(3) 0.0388(8) Uani 1 1 d . . .
H6 H 0.7128 0.5694 0.0015 0.047 Uiso 1 1 calc R . .
C9 C 1.2035(3) 0.6785(3) -0.0430(3) 0.0421(9) Uani 1 1 d . . .
H9A H 1.2156 0.7495 -0.0686 0.051 Uiso 1 1 calc R . .
H9B H 1.2544 0.6545 -0.0839 0.051 Uiso 1 1 calc R . .
C14 C 1.1537(4) 0.5325(3) 0.2597(3) 0.0428(9) Uani 1 1 d . . .
H14 H 1.1415 0.4763 0.2458 0.051 Uiso 1 1 calc R . .
C25 C 0.3351(3) 0.1993(3) 0.4466(3) 0.0393(8) Uani 1 1 d . . .
H25A H 0.2914 0.1865 0.4000 0.047 Uiso 1 1 calc R . .
H25B H 0.3252 0.2703 0.4280 0.047 Uiso 1 1 calc R . .
C16 C 1.0536(4) 0.5251(3) 0.3375(3) 0.0519(10) Uani 1 1 d . . .
H16A H 1.0628 0.4609 0.3938 0.078 Uiso 1 1 calc R . .
H16B H 0.9705 0.5328 0.3121 0.078 Uiso 1 1 calc R . .
H16C H 1.0637 0.5769 0.3564 0.078 Uiso 1 1 calc R . .
C24 C 0.9193(4) 0.1030(4) 0.5946(3) 0.0529(11) Uani 1 1 d . . .
H24A H 0.9800 0.0473 0.6136 0.079 Uiso 1 1 calc R . .
H24B H 0.8486 0.0856 0.6415 0.079 Uiso 1 1 calc R . .
H24C H 0.9591 0.1595 0.5925 0.079 Uiso 1 1 calc R . .
C22 C 0.8721(4) 0.1294(3) 0.4939(3) 0.0465(9) Uani 1 1 d . . .
H22 H 0.8448 0.0665 0.4982 0.056 Uiso 1 1 calc R . .
C27 C 0.3115(4) 0.2403(3) 0.6723(3) 0.0512(10) Uani 1 1 d . . .
H27 H 0.2427 0.2102 0.7216 0.061 Uiso 1 1 calc R . .
C19 C 0.7828(4) 0.3400(3) 0.4234(3) 0.0469(9) Uani 1 1 d . . .
H19 H 0.8622 0.3463 0.3841 0.056 Uiso 1 1 calc R . .
C11 C 1.1846(4) 0.7489(3) 0.1625(3) 0.0496(10) Uani 1 1 d . . .
H11 H 1.2528 0.7208 0.2095 0.060 Uiso 1 1 calc R . .
C7 C 0.5761(4) 0.6631(4) -0.0850(3) 0.0580(11) Uani 1 1 d . . .
H7A H 0.5182 0.6105 -0.0672 0.087 Uiso 1 1 calc R . .
H7B H 0.6204 0.6749 -0.1459 0.087 Uiso 1 1 calc R . .
H7C H 0.5293 0.7232 -0.0924 0.087 Uiso 1 1 calc R . .
C13 C 1.0790(5) 0.7913(3) 0.2071(3) 0.0666(13) Uani 1 1 d . . .
H13A H 1.1127 0.8401 0.2224 0.100 Uiso 1 1 calc R . .
H13B H 1.0448 0.7382 0.2661 0.100 Uiso 1 1 calc R . .
H13C H 1.0127 0.8225 0.1612 0.100 Uiso 1 1 calc R . .
C15 C 1.2869(4) 0.5174(4) 0.2959(3) 0.0637(13) Uani 1 1 d . . .
H15A H 1.3020 0.5682 0.3150 0.096 Uiso 1 1 calc R . .
H15B H 1.3472 0.5216 0.2444 0.096 Uiso 1 1 calc R . .
H15C H 1.2963 0.4526 0.3513 0.096 Uiso 1 1 calc R . .
C8 C 0.6062(4) 0.6082(3) 0.0944(3) 0.0480(9) Uani 1 1 d . . .
H8A H 0.5553 0.6654 0.0904 0.072 Uiso 1 1 calc R . .
H8B H 0.6692 0.5907 0.1428 0.072 Uiso 1 1 calc R . .
H8C H 0.5525 0.5528 0.1128 0.072 Uiso 1 1 calc R . .
C20 C 0.6865(5) 0.4194(3) 0.3591(3) 0.0631(13) Uani 1 1 d . . .
H20A H 0.6102 0.4182 0.3976 0.095 Uiso 1 1 calc R . .
H20B H 0.6665 0.4059 0.3061 0.095 Uiso 1 1 calc R . .
H20C H 0.7218 0.4841 0.3330 0.095 Uiso 1 1 calc R . .
C21 C 0.8112(5) 0.3570(3) 0.5106(3) 0.0651(13) Uani 1 1 d . . .
H21A H 0.8356 0.4246 0.4876 0.098 Uiso 1 1 calc R . .
H21B H 0.8795 0.3116 0.5460 0.098 Uiso 1 1 calc R . .
H21C H 0.7365 0.3455 0.5532 0.098 Uiso 1 1 calc R . .
C12 C 1.2393(6) 0.8315(4) 0.0693(4) 0.0772(16) Uani 1 1 d . . .
H12A H 1.1747 0.8596 0.0215 0.116 Uiso 1 1 calc R . .
H12B H 1.3096 0.8046 0.0441 0.116 Uiso 1 1 calc R . .
H12C H 1.2682 0.8827 0.0832 0.116 Uiso 1 1 calc R . .
C28 C 0.4105(5) 0.2733(3) 0.7186(3) 0.0682(14) Uani 1 1 d . . .
H28A H 0.4764 0.3068 0.6705 0.102 Uiso 1 1 calc R . .
H28B H 0.4469 0.2157 0.7725 0.102 Uiso 1 1 calc R . .
H28C H 0.3703 0.3182 0.7421 0.102 Uiso 1 1 calc R . .
C4 C 0.8204(5) 0.9239(3) -0.1421(3) 0.0610(12) Uani 1 1 d . . .
H4A H 0.7774 0.9886 -0.1649 0.092 Uiso 1 1 calc R . .
H4B H 0.8501 0.9132 -0.1974 0.092 Uiso 1 1 calc R . .
H4C H 0.8916 0.9205 -0.1046 0.092 Uiso 1 1 calc R . .
C29 C 0.2545(6) 0.3308(3) 0.5855(4) 0.0750(15) Uani 1 1 d . . .
H29A H 0.2150 0.3771 0.6074 0.112 Uiso 1 1 calc R . .
H29B H 0.1919 0.3094 0.5572 0.112 Uiso 1 1 calc R . .
H29C H 0.3208 0.3630 0.5371 0.112 Uiso 1 1 calc R . .
C5 C 0.6741(4) 0.8641(3) 0.0059(3) 0.0543(11) Uani 1 1 d . . .
H5A H 0.7403 0.8551 0.0497 0.081 Uiso 1 1 calc R . .
H5B H 0.6084 0.8182 0.0409 0.081 Uiso 1 1 calc R . .
H5C H 0.6387 0.9315 -0.0197 0.081 Uiso 1 1 calc R . .
C23 C 0.9794(4) 0.1617(4) 0.4164(3) 0.0709(15) Uani 1 1 d . . .
H23A H 1.0088 0.2245 0.4073 0.106 Uiso 1 1 calc R . .
H23B H 0.9490 0.1691 0.3557 0.106 Uiso 1 1 calc R . .
H23C H 1.0482 0.1120 0.4372 0.106 Uiso 1 1 calc R . .
C31 C 0.2127(4) 0.0085(4) 0.7800(4) 0.0726(15) Uani 1 1 d . . .
H31A H 0.2036 -0.0586 0.8312 0.109 Uiso 1 1 calc R . .
H31B H 0.1627 0.0189 0.7257 0.109 Uiso 1 1 calc R . .
H31C H 0.1837 0.0552 0.8046 0.109 Uiso 1 1 calc R . .
H104 H 0.886(3) 0.687(2) 0.134(2) 0.033(9) Uiso 1 1 d . . .
H101 H 0.531(4) 0.271(3) 0.529(3) 0.046(11) Uiso 1 1 d . . .
H102 H 0.620(4) 0.167(3) 0.639(3) 0.043(10) Uiso 1 1 d . . .
H103 H 0.973(4) 0.775(3) 0.029(3) 0.059(12) Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co2 N2 2.036(3) . ?
Co2 P3 2.1354(13) . ?
Co2 P4 2.1366(14) . ?
Co2 Cl2 2.3312(16) . ?
Co2 H101 1.47(4) . ?
Co2 H102 1.39(4) . ?
Co1 N1 2.041(3) . ?
Co1 P1 2.1438(13) . ?
Co1 P2 2.1451(13) . ?
Co1 Cl1 2.3238(15) . ?
Co1 H104 1.36(3) . ?
Co1 H103 1.44(4) . ?
P1 C11 1.833(4) . ?
P1 C10 1.836(4) . ?
P1 C14 1.855(4) . ?
P4 C26 1.833(4) . ?
P4 C30 1.843(4) . ?
P4 C27 1.846(4) . ?
P3 C19 1.830(4) . ?
P3 C18 1.842(4) . ?
P3 C22 1.846(4) . ?
P2 C3 1.834(4) . ?
P2 C6 1.836(4) . ?
P2 C2 1.836(3) . ?
N1 C9 1.466(4) . ?
N1 C1 1.473(4) . ?
N1 H1 0.9100 . ?
N2 C17 1.469(4) . ?
N2 C25 1.480(4) . ?
N2 H2 0.9100 . ?
C17 C18 1.508(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C1 C2 1.511(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C10 C9 1.514(5) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C3 C4 1.506(6) . ?
C3 C5 1.526(5) . ?
C3 H3 0.9800 . ?
C30 C32 1.501(6) . ?
C30 C31 1.517(5) . ?
C30 H30 0.9800 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C26 C25 1.512(5) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C6 C8 1.522(5) . ?
C6 C7 1.524(5) . ?
C6 H6 0.9800 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C14 C15 1.506(6) . ?
C14 C16 1.507(5) . ?
C14 H14 0.9800 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C24 C22 1.517(5) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C22 C23 1.513(5) . ?
C22 H22 0.9800 . ?
C27 C29 1.523(6) . ?
C27 C28 1.526(7) . ?
C27 H27 0.9800 . ?
C19 C20 1.521(6) . ?
C19 C21 1.522(6) . ?
C19 H19 0.9800 . ?
C11 C12 1.511(6) . ?
C11 C13 1.517(6) . ?
C11 H11 0.9800 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Co2 P3 87.53(9) . . ?
N2 Co2 P4 87.87(9) . . ?
P3 Co2 P4 168.63(4) . . ?
N2 Co2 Cl2 91.11(8) . . ?
P3 Co2 Cl2 94.82(4) . . ?
P4 Co2 Cl2 95.66(4) . . ?
N2 Co2 H101 91.1(14) . . ?
P3 Co2 H101 85.9(14) . . ?
P4 Co2 H101 83.8(14) . . ?
Cl2 Co2 H101 177.7(14) . . ?
N2 Co2 H102 175.8(15) . . ?
P3 Co2 H102 93.9(15) . . ?
P4 Co2 H102 90.0(15) . . ?
Cl2 Co2 H102 92.7(15) . . ?
H101 Co2 H102 85(2) . . ?
N1 Co1 P1 88.01(9) . . ?
N1 Co1 P2 86.92(9) . . ?
P1 Co1 P2 169.36(4) . . ?
N1 Co1 Cl1 90.61(8) . . ?
P1 Co1 Cl1 93.74(4) . . ?
P2 Co1 Cl1 95.67(4) . . ?
N1 Co1 H104 173.4(14) . . ?
P1 Co1 H104 91.3(14) . . ?
P2 Co1 H104 92.7(14) . . ?
Cl1 Co1 H104 96.0(14) . . ?
N1 Co1 H103 93.7(16) . . ?
P1 Co1 H103 86.3(17) . . ?
P2 Co1 H103 84.7(17) . . ?
Cl1 Co1 H103 175.7(16) . . ?
H104 Co1 H103 80(2) . . ?
C11 P1 C10 107.16(19) . . ?
C11 P1 C14 105.06(19) . . ?
C10 P1 C14 100.40(18) . . ?
C11 P1 Co1 120.04(15) . . ?
C10 P1 Co1 101.00(13) . . ?
C14 P1 Co1 120.47(13) . . ?
C26 P4 C30 101.45(18) . . ?
C26 P4 C27 107.00(19) . . ?
C30 P4 C27 104.74(19) . . ?
C26 P4 Co2 101.37(13) . . ?
C30 P4 Co2 119.46(13) . . ?
C27 P4 Co2 120.43(15) . . ?
C19 P3 C18 105.49(18) . . ?
C19 P3 C22 106.3(2) . . ?
C18 P3 C22 101.93(18) . . ?
C19 P3 Co2 120.47(14) . . ?
C18 P3 Co2 101.70(13) . . ?
C22 P3 Co2 118.30(13) . . ?
C3 P2 C6 106.60(18) . . ?
C3 P2 C2 104.62(16) . . ?
C6 P2 C2 101.52(17) . . ?
C3 P2 Co1 120.84(13) . . ?
C6 P2 Co1 118.07(12) . . ?
C2 P2 Co1 102.33(12) . . ?
C9 N1 C1 111.0(3) . . ?
C9 N1 Co1 113.7(2) . . ?
C1 N1 Co1 113.2(2) . . ?
C9 N1 H1 106.0 . . ?
C1 N1 H1 106.0 . . ?
Co1 N1 H1 106.0 . . ?
C17 N2 C25 111.0(3) . . ?
C17 N2 Co2 114.5(2) . . ?
C25 N2 Co2 112.5(2) . . ?
C17 N2 H2 106.0 . . ?
C25 N2 H2 106.0 . . ?
Co2 N2 H2 106.0 . . ?
N2 C17 C18 110.2(3) . . ?
N2 C17 H17A 109.6 . . ?
C18 C17 H17A 109.6 . . ?
N2 C17 H17B 109.6 . . ?
C18 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
N1 C1 C2 109.7(3) . . ?
N1 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
N1 C1 H1B 109.7 . . ?
C2 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
C1 C2 P2 108.4(2) . . ?
C1 C2 H2A 110.0 . . ?
P2 C2 H2A 110.0 . . ?
C1 C2 H2B 110.0 . . ?
P2 C2 H2B 110.0 . . ?
H2A C2 H2B 108.4 . . ?
C17 C18 P3 108.6(2) . . ?
C17 C18 H18A 110.0 . . ?
P3 C18 H18A 110.0 . . ?
C17 C18 H18B 110.0 . . ?
P3 C18 H18B 110.0 . . ?
H18A C18 H18B 108.4 . . ?
C9 C10 P1 109.1(3) . . ?
C9 C10 H10A 109.9 . . ?
P1 C10 H10A 109.9 . . ?
C9 C10 H10B 109.9 . . ?
P1 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C4 C3 C5 110.2(4) . . ?
C4 C3 P2 112.5(3) . . ?
C5 C3 P2 111.3(3) . . ?
C4 C3 H3 107.5 . . ?
C5 C3 H3 107.5 . . ?
P2 C3 H3 107.5 . . ?
C32 C30 C31 111.7(4) . . ?
C32 C30 P4 112.0(3) . . ?
C31 C30 P4 114.6(3) . . ?
C32 C30 H30 105.9 . . ?
C31 C30 H30 105.9 . . ?
P4 C30 H30 105.9 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C25 C26 P4 108.8(3) . . ?
C25 C26 H26A 109.9 . . ?
P4 C26 H26A 109.9 . . ?
C25 C26 H26B 109.9 . . ?
P4 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
C8 C6 C7 111.6(3) . . ?
C8 C6 P2 112.6(3) . . ?
C7 C6 P2 115.5(3) . . ?
C8 C6 H6 105.4 . . ?
C7 C6 H6 105.4 . . ?
P2 C6 H6 105.4 . . ?
N1 C9 C10 110.1(3) . . ?
N1 C9 H9A 109.6 . . ?
C10 C9 H9A 109.6 . . ?
N1 C9 H9B 109.6 . . ?
C10 C9 H9B 109.6 . . ?
H9A C9 H9B 108.2 . . ?
C15 C14 C16 112.4(3) . . ?
C15 C14 P1 114.3(3) . . ?
C16 C14 P1 111.7(3) . . ?
C15 C14 H14 105.9 . . ?
C16 C14 H14 105.9 . . ?
P1 C14 H14 105.9 . . ?
N2 C25 C26 109.0(3) . . ?
N2 C25 H25A 109.9 . . ?
C26 C25 H25A 109.9 . . ?
N2 C25 H25B 109.9 . . ?
C26 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C22 C24 111.6(3) . . ?
C23 C22 P3 115.8(3) . . ?
C24 C22 P3 112.2(3) . . ?
C23 C22 H22 105.4 . . ?
C24 C22 H22 105.4 . . ?
P3 C22 H22 105.4 . . ?
C29 C27 C28 110.1(4) . . ?
C29 C27 P4 112.4(3) . . ?
C28 C27 P4 110.4(3) . . ?
C29 C27 H27 107.9 . . ?
C28 C27 H27 107.9 . . ?
P4 C27 H27 107.9 . . ?
C20 C19 C21 110.4(4) . . ?
C20 C19 P3 111.6(3) . . ?
C21 C19 P3 110.7(3) . . ?
C20 C19 H19 108.0 . . ?
C21 C19 H19 108.0 . . ?
P3 C19 H19 108.0 . . ?
C12 C11 C13 110.2(4) . . ?
C12 C11 P1 112.3(3) . . ?
C13 C11 P1 110.8(3) . . ?
C12 C11 H11 107.8 . . ?
C13 C11 H11 107.8 . . ?
P1 C11 H11 107.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
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 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.285
_refine_diff_density_min         -0.535
_refine_diff_density_rms         0.069

_database_code_depnum_ccdc_archive 'CCDC 952843'

data_HPNPCoH3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H40 Co N P2'
_chemical_formula_sum            'C16 H40 Co N P2'
_chemical_formula_weight         367.36

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   C2/c

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

_cell_length_a                   19.9694(6)
_cell_length_b                   7.4326(3)
_cell_length_c                   13.6932(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.0270(10)
_cell_angle_gamma                90.00
_cell_volume                     2012.49(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9883
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      25.30

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             800
_exptl_absorpt_coefficient_mu    1.005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8638
_exptl_absorpt_correction_T_max  0.9609
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'QUAZAR multilayer mirrors'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            15634
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0113
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.06
_diffrn_reflns_theta_max         25.36
_reflns_number_total             1833
_reflns_number_gt                1679
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX

_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)+(0.0400P)²+3.7550P] 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         1833
_refine_ls_number_parameters     143
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0886
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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 0.0000 0.20049(5) 0.7500 0.03585(16) Uani 1 2 d S . .
P1 P -0.09440(3) 0.18916(8) 0.80409(4) 0.03510(17) Uani 1 1 d . . .
C3 C -0.17380(12) 0.2655(4) 0.72951(19) 0.0458(6) Uani 1 1 d . C .
H3 H -0.2112 0.2425 0.7672 0.055 Uiso 1 1 calc R . .
N1 N 0.0000 -0.0738(4) 0.7500 0.0548(8) Uani 1 2 d S . .
H1 H 0.0369 -0.0738 0.7972 0.066 Uiso 0.50 1 calc PR A 1
C5 C -0.16989(15) 0.4667(4) 0.7123(2) 0.0638(8) Uani 1 1 d . . .
H5A H -0.1312 0.4930 0.6803 0.096 Uiso 1 1 calc R C .
H5B H -0.1659 0.5285 0.7744 0.096 Uiso 1 1 calc R . .
H5C H -0.2102 0.5059 0.6712 0.096 Uiso 1 1 calc R . .
C2 C -0.10737(15) -0.0557(4) 0.8181(3) 0.0586(7) Uani 1 1 d . C .
H2A H -0.1265 -0.0792 0.8781 0.070 Uiso 1 1 calc R B 1
H2B H -0.1385 -0.1008 0.7627 0.070 Uiso 1 1 calc R B 1
C4 C -0.18818(17) 0.1647(6) 0.6314(2) 0.0858(12) Uani 1 1 d . . .
H4A H -0.2297 0.2080 0.5951 0.129 Uiso 1 1 calc R C .
H4B H -0.1921 0.0383 0.6438 0.129 Uiso 1 1 calc R . .
H4C H -0.1518 0.1846 0.5937 0.129 Uiso 1 1 calc R . .
C7 C -0.1719(8) 0.269(2) 0.9584(10) 0.059(3) Uani 0.636(7) 1 d P C 1
H7A H -0.1729 0.3099 1.0248 0.088 Uiso 0.636(7) 1 calc PR C 1
H7B H -0.1910 0.1508 0.9507 0.088 Uiso 0.636(7) 1 calc PR C 1
H7C H -0.1978 0.3502 0.9133 0.088 Uiso 0.636(7) 1 calc PR C 1
C8 C -0.0776(3) 0.4495(8) 0.9538(4) 0.082(2) Uani 0.636(7) 1 d P C 1
H8A H -0.1115 0.5317 0.9240 0.123 Uiso 0.636(7) 1 calc PR C 1
H8B H -0.0370 0.4651 0.9246 0.123 Uiso 0.636(7) 1 calc PR C 1
H8C H -0.0683 0.4731 1.0233 0.123 Uiso 0.636(7) 1 calc PR C 1
C6 C -0.1019(7) 0.265(2) 0.9380(8) 0.046(3) Uani 0.636(7) 1 d P C 1
H6 H -0.0751 0.1845 0.9849 0.055 Uiso 0.636(7) 1 calc PR C 1
C1 C -0.0416(3) -0.1464(7) 0.8221(7) 0.055(2) Uani 0.518(11) 1 d P C 1
H1A H -0.0491 -0.2738 0.8095 0.066 Uiso 0.518(11) 1 calc PR C 1
H1B H -0.0169 -0.1338 0.8879 0.066 Uiso 0.518(11) 1 calc PR C 1
C16 C -0.1013(8) 0.292(3) 0.9158(14) 0.033(3) Uani 0.364(7) 1 d P C 2
H6A H -0.1001 0.4236 0.9116 0.040 Uiso 0.364(7) 1 calc PR C 2
C18 C -0.0494(3) 0.2169(13) 1.0011(5) 0.054(3) Uani 0.364(7) 1 d P C 2
H8A1 H -0.0626 0.0977 1.0176 0.082 Uiso 0.364(7) 1 calc PR C 2
H8A2 H -0.0483 0.2935 1.0578 0.082 Uiso 0.364(7) 1 calc PR C 2
H8A3 H -0.0054 0.2130 0.9807 0.082 Uiso 0.364(7) 1 calc PR C 2
C17 C -0.1684(17) 0.215(4) 0.970(2) 0.072(8) Uani 0.364(7) 1 d P C 2
H7A1 H -0.1753 0.0896 0.9551 0.109 Uiso 0.364(7) 1 calc PR C 2
H7A2 H -0.2083 0.2813 0.9443 0.109 Uiso 0.364(7) 1 calc PR C 2
H7A3 H -0.1590 0.2315 1.0398 0.109 Uiso 0.364(7) 1 calc PR C 2
C11 C -0.0641(3) -0.1544(7) 0.7483(9) 0.058(3) Uani 0.482(11) 1 d P C 2
H1A1 H -0.0584 -0.2792 0.7684 0.070 Uiso 0.482(11) 1 calc PR C 2
H1A2 H -0.0879 -0.1521 0.6815 0.070 Uiso 0.482(11) 1 calc PR C 2
H101 H 0.0291(17) 0.206(4) 0.843(2) 0.074(10) Uiso 1 1 d . . .
H102 H 0.0000 0.385(6) 0.7500 0.055(11) Uiso 1 2 d S . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 N1 2.038(3) . ?
Co1 P1 2.1212(6) 2_556 ?
Co1 P1 2.1212(6) . ?
P1 C16 1.73(2) . ?
P1 C3 1.851(3) . ?
P1 C2 1.852(3) . ?
P1 C6 1.943(13) . ?
C3 C5 1.518(4) . ?
C3 C4 1.530(4) . ?
N1 C11 1.411(6) . ?
N1 C11 1.411(6) 2_556 ?
N1 C1 1.478(6) 2_556 ?
N1 C1 1.478(6) . ?
C2 C1 1.471(6) . ?
C2 C11 1.558(8) . ?
C7 C6 1.46(2) . ?
C8 C6 1.462(16) . ?
C16 C18 1.553(17) . ?
C16 C17 1.72(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Co1 P1 87.726(18) . 2_556 ?
N1 Co1 P1 87.726(18) . . ?
P1 Co1 P1 175.45(4) 2_556 . ?
C16 P1 C3 100.6(6) . . ?
C16 P1 C2 108.2(8) . . ?
C3 P1 C2 103.71(13) . . ?
C3 P1 C6 105.0(4) . . ?
C2 P1 C6 99.0(4) . . ?
C16 P1 Co1 118.3(6) . . ?
C3 P1 Co1 121.99(9) . . ?
C2 P1 Co1 102.65(9) . . ?
C6 P1 Co1 120.5(4) . . ?
C5 C3 C4 110.7(3) . . ?
C5 C3 P1 109.23(18) . . ?
C4 C3 P1 112.1(2) . . ?
C11 N1 C1 115.3(4) . 2_556 ?
C1 N1 C1 137.1(5) 2_556 . ?
C11 N1 Co1 115.1(3) . . ?
C11 N1 Co1 115.1(3) 2_556 . ?
C1 N1 Co1 111.4(3) 2_556 . ?
C1 N1 Co1 111.4(3) . . ?
C1 C2 P1 108.5(3) . . ?
C11 C2 P1 107.6(3) . . ?
C8 C6 C7 104.9(11) . . ?
C8 C6 P1 110.2(6) . . ?
C7 C6 P1 112.9(9) . . ?
C2 C1 N1 112.9(5) . . ?
C18 C16 C17 92.0(14) . . ?
C18 C16 P1 112.3(13) . . ?
C17 C16 P1 113.3(16) . . ?
N1 C11 C2 111.7(5) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.048

_database_code_depnum_ccdc_archive 'CCDC 952844'

data_PNPCoCO

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H36 Co N O P2'
_chemical_formula_sum            'C17 H36 Co N O P2'
_chemical_formula_weight         391.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.6066(8)
_cell_length_b                   8.4996(9)
_cell_length_c                   17.1584(17)
_cell_angle_alpha                82.4060(10)
_cell_angle_beta                 82.8630(11)
_cell_angle_gamma                69.2410(10)
_cell_volume                     1024.63(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             420
_exptl_absorpt_coefficient_mu    0.995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'Bruker APEX-I CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.366
_diffrn_reflns_number            19904
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0182
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.20
_diffrn_reflns_theta_max         25.37
_reflns_number_total             3761
_reflns_number_gt                3347
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2 v. 2009.1'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX

_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)+(0.0354P)²+0.6977P] 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         3748
_refine_ls_number_parameters     207
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_ref         0.0722
_refine_ls_wR_factor_gt          0.0685
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_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 0.03850(3) 0.12094(3) 0.752271(13) 0.01662(9) Uani 1 1 d . . .
P1 P 0.22299(6) 0.01830(6) 0.65200(3) 0.01625(11) Uani 1 1 d . . .
P2 P -0.14808(6) 0.26765(6) 0.84222(3) 0.01738(12) Uani 1 1 d . . .
N1 N -0.1008(2) 0.28656(19) 0.67975(9) 0.0189(3) Uani 1 1 d . . .
O1 O 0.2291(2) -0.15426(19) 0.86254(9) 0.0368(4) Uani 1 1 d . . .
C17 C 0.1523(3) -0.0412(2) 0.81775(11) 0.0218(4) Uani 1 1 d . . .
C9 C -0.2427(3) 0.4461(2) 0.70133(11) 0.0223(4) Uani 1 1 d . . .
H9A H -0.3402 0.4833 0.6648 0.027 Uiso 1 1 calc R . .
H9B H -0.1844 0.5318 0.6976 0.027 Uiso 1 1 calc R . .
C16 C -0.4252(3) 0.2901(3) 0.96970(12) 0.0273(4) Uani 1 1 d . . .
H16A H -0.5180 0.3666 0.9365 0.041 Uiso 1 1 calc R . .
H16B H -0.3690 0.3527 0.9949 0.041 Uiso 1 1 calc R . .
H16C H -0.4845 0.2296 1.0091 0.041 Uiso 1 1 calc R . .
C8 C 0.1105(3) -0.2583(2) 0.65035(12) 0.0246(4) Uani 1 1 d . . .
H8A H 0.0310 -0.2042 0.6083 0.037 Uiso 1 1 calc R . .
H8B H 0.0427 -0.2239 0.6998 0.037 Uiso 1 1 calc R . .
H8C H 0.1472 -0.3787 0.6508 0.037 Uiso 1 1 calc R . .
C1 C -0.0421(3) 0.3061(2) 0.59563(11) 0.0211(4) Uani 1 1 d . . .
H1A H 0.0224 0.3878 0.5861 0.025 Uiso 1 1 calc R . .
H1B H -0.1523 0.3480 0.5657 0.025 Uiso 1 1 calc R . .
C6 C 0.2867(3) -0.2074(2) 0.63790(11) 0.0193(4) Uani 1 1 d . . .
H6 H 0.3685 -0.2721 0.6794 0.023 Uiso 1 1 calc R . .
C4 C 0.4204(3) 0.2408(3) 0.64207(12) 0.0276(4) Uani 1 1 d . . .
H4A H 0.3575 0.2721 0.6927 0.041 Uiso 1 1 calc R . .
H4B H 0.3445 0.3101 0.6012 0.041 Uiso 1 1 calc R . .
H4C H 0.5403 0.2568 0.6363 0.041 Uiso 1 1 calc R . .
C14 C -0.2729(3) 0.1650(2) 0.91970(11) 0.0221(4) Uani 1 1 d . . .
H14 H -0.1791 0.0916 0.9552 0.026 Uiso 1 1 calc R . .
C15 C -0.3521(3) 0.0517(3) 0.88397(13) 0.0312(5) Uani 1 1 d . . .
H15A H -0.4070 -0.0084 0.9254 0.047 Uiso 1 1 calc R . .
H15B H -0.2522 -0.0277 0.8544 0.047 Uiso 1 1 calc R . .
H15C H -0.4469 0.1197 0.8496 0.047 Uiso 1 1 calc R . .
C3 C 0.4507(3) 0.0550(2) 0.63571(11) 0.0215(4) Uani 1 1 d . . .
H3 H 0.5058 0.0276 0.5823 0.026 Uiso 1 1 calc R . .
C2 C 0.0892(3) 0.1370(2) 0.56848(11) 0.0210(4) Uani 1 1 d . . .
H2A H 0.1743 0.1548 0.5240 0.025 Uiso 1 1 calc R . .
H2B H 0.0166 0.0751 0.5524 0.025 Uiso 1 1 calc R . .
C12 C 0.0402(3) 0.4950(3) 0.84140(13) 0.0362(5) Uani 1 1 d . . .
H12A H 0.0872 0.5573 0.8712 0.054 Uiso 1 1 calc R . .
H12B H -0.0486 0.5723 0.8068 0.054 Uiso 1 1 calc R . .
H12C H 0.1432 0.4209 0.8108 0.054 Uiso 1 1 calc R . .
C10 C -0.3310(3) 0.4252(2) 0.78519(11) 0.0227(4) Uani 1 1 d . . .
H10A H -0.4373 0.3875 0.7848 0.027 Uiso 1 1 calc R . .
H10B H -0.3755 0.5321 0.8083 0.027 Uiso 1 1 calc R . .
C13 C 0.0750(3) 0.2752(3) 0.95797(12) 0.0283(4) Uani 1 1 d . . .
H13A H 0.1738 0.1884 0.9318 0.042 Uiso 1 1 calc R . .
H13B H 0.0051 0.2243 0.9973 0.042 Uiso 1 1 calc R . .
H13C H 0.1291 0.3402 0.9827 0.042 Uiso 1 1 calc R . .
C7 C 0.3968(3) -0.2578(2) 0.55921(11) 0.0238(4) Uani 1 1 d . . .
H7A H 0.4209 -0.3754 0.5555 0.036 Uiso 1 1 calc R . .
H7B H 0.5144 -0.2382 0.5558 0.036 Uiso 1 1 calc R . .
H7C H 0.3244 -0.1914 0.5168 0.036 Uiso 1 1 calc R . .
C11 C -0.0572(3) 0.3909(2) 0.89764(11) 0.0226(4) Uani 1 1 d . . .
H11 H -0.1650 0.4694 0.9265 0.027 Uiso 1 1 calc R . .
C5 C 0.5870(3) -0.0603(3) 0.69465(13) 0.0305(5) Uani 1 1 d . . .
H5A H 0.6957 -0.0268 0.6918 0.046 Uiso 1 1 calc R . .
H5B H 0.6256 -0.1751 0.6821 0.046 Uiso 1 1 calc R . .
H5C H 0.5252 -0.0514 0.7470 0.046 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 C17 1.7024(18) . ?
Co1 N1 1.8601(15) . ?
Co1 P1 2.1493(5) . ?
Co1 P2 2.1589(5) . ?
P1 C2 1.8331(18) . ?
P1 C6 1.8463(19) . ?
P1 C3 1.8480(19) . ?
P2 C10 1.8328(18) . ?
P2 C14 1.8432(19) . ?
P2 C11 1.8496(19) . ?
N1 C9 1.461(2) . ?
N1 C1 1.463(2) . ?
O1 C17 1.172(2) . ?
C9 C10 1.527(3) . ?
C16 C14 1.526(3) . ?
C8 C6 1.531(3) . ?
C1 C2 1.524(3) . ?
C6 C7 1.525(3) . ?
C4 C3 1.530(3) . ?
C14 C15 1.525(3) . ?
C3 C5 1.528(3) . ?
C12 C11 1.524(3) . ?
C13 C11 1.529(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C17 Co1 N1 174.51(8) . . ?
C17 Co1 P1 94.30(6) . . ?
N1 Co1 P1 85.89(5) . . ?
C17 Co1 P2 94.14(6) . . ?
N1 Co1 P2 86.28(5) . . ?
P1 Co1 P2 169.66(2) . . ?
C2 P1 C6 106.16(8) . . ?
C2 P1 C3 105.60(9) . . ?
C6 P1 C3 103.96(8) . . ?
C2 P1 Co1 102.86(6) . . ?
C6 P1 Co1 120.00(6) . . ?
C3 P1 Co1 116.97(6) . . ?
C10 P2 C14 106.06(9) . . ?
C10 P2 C11 105.28(9) . . ?
C14 P2 C11 103.52(9) . . ?
C10 P2 Co1 102.61(6) . . ?
C14 P2 Co1 119.43(6) . . ?
C11 P2 Co1 118.52(7) . . ?
C9 N1 C1 108.45(14) . . ?
C9 N1 Co1 123.68(12) . . ?
C1 N1 Co1 124.54(12) . . ?
O1 C17 Co1 178.98(19) . . ?
N1 C9 C10 110.70(15) . . ?
N1 C1 C2 110.20(15) . . ?
C7 C6 C8 111.06(15) . . ?
C7 C6 P1 114.33(13) . . ?
C8 C6 P1 110.25(13) . . ?
C15 C14 C16 111.56(16) . . ?
C15 C14 P2 110.45(13) . . ?
C16 C14 P2 113.21(14) . . ?
C5 C3 C4 110.89(16) . . ?
C5 C3 P1 110.30(13) . . ?
C4 C3 P1 110.38(13) . . ?
C1 C2 P1 107.33(12) . . ?
C9 C10 P2 107.27(13) . . ?
C12 C11 C13 111.30(17) . . ?
C12 C11 P2 110.67(14) . . ?
C13 C11 P2 110.88(13) . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.37
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.056

_database_code_depnum_ccdc_archive 'CCDC 952845'
