# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_Ph2PPrDICoH
_database_code_depnum_ccdc_archive 'CCDC 1539444'
_audit_update_record             
;
2017-03-21 deposited with the CCDC.
2017-05-05 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C34 H39 Co N2 P2'
_chemical_formula_sum            'C34 H39 Co N2 P2'
_chemical_formula_iupac          ?
_chemical_formula_weight         596.54

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.6171(9)
_cell_length_b                   9.4154(5)
_cell_length_c                   18.1381(9)
_cell_angle_alpha                90
_cell_angle_beta                 101.3560(10)
_cell_angle_gamma                90
_cell_volume                     2949.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9606
_cell_measurement_theta_min      2.3583
_cell_measurement_theta_max      30.4718
_cell_measurement_temperature    123.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear dark green'
_exptl_crystal_size_max          0.174
_exptl_crystal_size_mid          0.146
_exptl_crystal_size_min          0.138
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1256

_exptl_absorpt_coefficient_mu    0.717
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2008/1 (Bruker AXS, 2008)'
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_T_max  0.91

_exptl_special_details           
;
;

_diffrn_ambient_temperature      123.(2)

_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'sealed tube'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'Bruker Smart APEX'
_diffrn_measurement_method       'ω and φ scans'

_diffrn_detector_area_resol_mean 8.3330

_diffrn_reflns_number            22879
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_theta_min         2.29
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21

_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.
;

_reflns_number_total             5187
_reflns_number_gt                4463
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0275
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0715
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_number_reflns         5187
_refine_ls_number_parameters     358
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0343P)²+1.5681P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.325
_refine_diff_density_min         -0.362
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'

_computing_data_collection       
'Bruker Instrument Service v2010, 9, 0, 0 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT V7.68A (Bruker AXS, 2009)'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'XShell ver. 6.3.1 (Bruker AXS, 2004)'
_computing_publication_material  'Bruker APEX2 v2010.9-1 (Bruker AXS, 2010)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1 0.31170(2) 0.03988(2) 0.36904(2) 0.01689(8) Uani d . . . 1 . .
P P1 0.22127(2) -0.02832(5) 0.42477(2) 0.01776(11) Uani d . . . 1 . .
P P2 0.29547(2) -0.02077(5) 0.25347(2) 0.01656(11) Uani d . . . 1 . .
N N1 0.38042(8) 0.08529(16) 0.45954(8) 0.0210(3) Uani d . . . 1 . .
N N2 0.31827(8) 0.24047(16) 0.35348(8) 0.0198(3) Uani d . . . 1 . .
C C1 0.44010(11) 0.2784(2) 0.54662(11) 0.0321(5) Uani d . . . 1 . .
H H1A 0.4127 0.2551 0.5871 0.048 Uiso calc U . R 1 . .
H H1B 0.4461 0.3817 0.544 0.048 Uiso calc U . R 1 . .
H H1C 0.4913 0.2334 0.5567 0.048 Uiso calc U . R 1 . .
C C2 0.39417(10) 0.2246(2) 0.47267(10) 0.0229(4) Uani d . . . 1 . .
C C3 0.36205(10) 0.31166(19) 0.41182(10) 0.0219(4) Uani d . . . 1 . .
C C4 0.37200(12) 0.4703(2) 0.41020(12) 0.0322(5) Uani d . . . 1 . .
H H4A 0.3953 0.4964 0.3673 0.048 Uiso calc U . R 1 . .
H H4B 0.4058 0.5014 0.4569 0.048 Uiso calc U . R 1 . .
H H4C 0.3214 0.5163 0.4053 0.048 Uiso calc U . R 1 . .
C C5 0.39927(10) -0.0145(2) 0.52268(10) 0.0247(4) Uani d . . . 1 . .
H H5A 0.4433 0.0231 0.56 0.03 Uiso calc U . R 1 . .
H H5B 0.4152 -0.1066 0.5041 0.03 Uiso calc U . R 1 . .
C C6 0.32972(10) -0.0382(2) 0.56083(10) 0.0245(4) Uani d . . . 1 . .
H H6A 0.3475 -0.0891 0.6089 0.029 Uiso calc U . R 1 . .
H H6B 0.3092 0.0552 0.5726 0.029 Uiso calc U . R 1 . .
C C7 0.26429(10) -0.1236(2) 0.51207(10) 0.0242(4) Uani d . . . 1 . .
H H7A 0.2235 -0.1428 0.5413 0.029 Uiso calc U . R 1 . .
H H7B 0.2849 -0.216 0.499 0.029 Uiso calc U . R 1 . .
C C8 0.16506(10) 0.10675(19) 0.46494(9) 0.0193(4) Uani d . . . 1 . .
C C9 0.18286(10) 0.2494(2) 0.46096(10) 0.0247(4) Uani d . . . 1 . .
H H9 0.2228 0.278 0.4358 0.03 Uiso calc U . R 1 . .
C C10 0.14249(11) 0.3510(2) 0.49357(11) 0.0276(4) Uani d . . . 1 . .
H H10 0.1556 0.4486 0.4913 0.033 Uiso calc U . R 1 . .
C C11 0.08341(10) 0.3105(2) 0.52917(10) 0.0262(4) Uani d . . . 1 . .
H H11 0.055 0.3803 0.5501 0.031 Uiso calc U . R 1 . .
C C12 0.06587(11) 0.1687(2) 0.53417(11) 0.0285(4) Uani d . . . 1 . .
H H12 0.0257 0.1406 0.5591 0.034 Uiso calc U . R 1 . .
C C13 0.10676(11) 0.0668(2) 0.50279(10) 0.0259(4) Uani d . . . 1 . .
H H13 0.095 -0.0309 0.5071 0.031 Uiso calc U . R 1 . .
C C14 0.14127(10) -0.14526(19) 0.38190(10) 0.0205(4) Uani d . . . 1 . .
C C15 0.08147(11) -0.0864(2) 0.32933(10) 0.0250(4) Uani d . . . 1 . .
H H15 0.0839 0.011 0.3163 0.03 Uiso calc U . R 1 . .
C C16 0.01819(11) -0.1672(2) 0.29551(11) 0.0296(4) Uani d . . . 1 . .
H H16 -0.0225 -0.1249 0.2601 0.036 Uiso calc U . R 1 . .
C C17 0.01456(11) -0.3087(2) 0.31344(11) 0.0303(5) Uani d . . . 1 . .
H H17 -0.0288 -0.3642 0.2908 0.036 Uiso calc U . R 1 . .
C C18 0.07387(12) -0.3696(2) 0.36430(12) 0.0342(5) Uani d . . . 1 . .
H H18 0.0717 -0.4676 0.3761 0.041 Uiso calc U . R 1 . .
C C19 0.13711(11) -0.2884(2) 0.39856(11) 0.0298(4) Uani d . . . 1 . .
H H19 0.1777 -0.3314 0.4337 0.036 Uiso calc U . R 1 . .
C C20 0.28112(11) 0.32869(19) 0.28996(11) 0.0262(4) Uani d . . . 1 . .
H H20A 0.3216 0.3839 0.2718 0.031 Uiso calc U . R 1 . .
H H20B 0.2463 0.3973 0.3081 0.031 Uiso calc U . R 1 . .
C C21 0.23469(11) 0.24670(19) 0.22431(10) 0.0251(4) Uani d . . . 1 . .
H H21A 0.2124 0.3141 0.1839 0.03 Uiso calc U . R 1 . .
H H21B 0.1913 0.1976 0.2409 0.03 Uiso calc U . R 1 . .
C C22 0.28414(10) 0.13718(18) 0.19292(10) 0.0215(4) Uani d . . . 1 . .
H H22A 0.3356 0.1781 0.1913 0.026 Uiso calc U . R 1 . .
H H22B 0.2588 0.1107 0.1411 0.026 Uiso calc U . R 1 . .
C C23 0.37519(10) -0.11708(19) 0.22330(10) 0.0194(4) Uani d . . . 1 . .
C C24 0.42047(11) -0.2125(2) 0.27180(11) 0.0294(4) Uani d . . . 1 . .
H H24 0.4119 -0.2238 0.3216 0.035 Uiso calc U . R 1 . .
C C25 0.47830(11) -0.2915(2) 0.24819(11) 0.0336(5) Uani d . . . 1 . .
H H25 0.5073 -0.3589 0.2813 0.04 Uiso calc U . R 1 . .
C C26 0.49367(10) -0.2725(2) 0.17737(11) 0.0276(4) Uani d . . . 1 . .
H H26 0.5339 -0.3247 0.1618 0.033 Uiso calc U . R 1 . .
C C27 0.44989(11) -0.1765(2) 0.12906(11) 0.0263(4) Uani d . . . 1 . .
H H27 0.4608 -0.1616 0.0804 0.032 Uiso calc U . R 1 . .
C C28 0.39032(10) -0.10171(19) 0.15104(10) 0.0232(4) Uani d . . . 1 . .
H H28 0.3594 -0.0392 0.1165 0.028 Uiso calc U . R 1 . .
C C29 0.21458(10) -0.13535(18) 0.20953(9) 0.0184(4) Uani d . . . 1 . .
C C30 0.21375(11) -0.2779(2) 0.22985(11) 0.0261(4) Uani d . . . 1 . .
H H30 0.2555 -0.3157 0.2657 0.031 Uiso calc U . R 1 . .
C C31 0.15260(11) -0.3651(2) 0.19826(12) 0.0300(4) Uani d . . . 1 . .
H H31 0.1528 -0.462 0.2128 0.036 Uiso calc U . R 1 . .
C C32 0.09118(11) -0.3127(2) 0.14576(11) 0.0272(4) Uani d . . . 1 . .
H H32 0.0495 -0.3732 0.1241 0.033 Uiso calc U . R 1 . .
C C33 0.09120(11) -0.1727(2) 0.12539(11) 0.0303(4) Uani d . . . 1 . .
H H33 0.0493 -0.1359 0.0893 0.036 Uiso calc U . R 1 . .
C C34 0.15203(11) -0.0839(2) 0.15705(10) 0.0256(4) Uani d . . . 1 . .
H H34 0.1509 0.0132 0.1427 0.031 Uiso calc U . R 1 . .
H H1 0.3260(10) -0.111(2) 0.3747(10) 0.022(5) Uiso d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 N1 . 1.8869(14) ?
Co1 N2 . 1.9164(15) ?
Co1 P2 . 2.1367(5) ?
Co1 P1 . 2.1464(5) ?
Co1 H1 . 1.439(19) ?
P1 C14 . 1.8362(18) ?
P1 C8 . 1.8474(18) ?
P1 C7 . 1.8475(18) ?
P2 C22 . 1.8361(18) ?
P2 C29 . 1.8392(17) ?
P2 C23 . 1.8432(18) ?
N1 C2 . 1.347(2) ?
N1 C5 . 1.468(2) ?
N2 C3 . 1.357(2) ?
N2 C20 . 1.466(2) ?
C1 C2 . 1.511(2) ?
C1 H1A . 0.98 ?
C1 H1B . 0.98 ?
C1 H1C . 0.98 ?
C2 C3 . 1.401(3) ?
C3 C4 . 1.505(3) ?
C4 H4A . 0.98 ?
C4 H4B . 0.98 ?
C4 H4C . 0.98 ?
C5 C6 . 1.537(3) ?
C5 H5A . 0.99 ?
C5 H5B . 0.99 ?
C6 C7 . 1.535(3) ?
C6 H6A . 0.99 ?
C6 H6B . 0.99 ?
C7 H7A . 0.99 ?
C7 H7B . 0.99 ?
C8 C9 . 1.384(3) ?
C8 C13 . 1.395(3) ?
C9 C10 . 1.392(3) ?
C9 H9 . 0.95 ?
C10 C11 . 1.382(3) ?
C10 H10 . 0.95 ?
C11 C12 . 1.378(3) ?
C11 H11 . 0.95 ?
C12 C13 . 1.387(3) ?
C12 H12 . 0.95 ?
C13 H13 . 0.95 ?
C14 C19 . 1.386(3) ?
C14 C15 . 1.389(3) ?
C15 C16 . 1.389(3) ?
C15 H15 . 0.95 ?
C16 C17 . 1.376(3) ?
C16 H16 . 0.95 ?
C17 C18 . 1.375(3) ?
C17 H17 . 0.95 ?
C18 C19 . 1.393(3) ?
C18 H18 . 0.95 ?
C19 H19 . 0.95 ?
C20 C21 . 1.516(3) ?
C20 H20A . 0.99 ?
C20 H20B . 0.99 ?
C21 C22 . 1.530(3) ?
C21 H21A . 0.99 ?
C21 H21B . 0.99 ?
C22 H22A . 0.99 ?
C22 H22B . 0.99 ?
C23 C24 . 1.393(3) ?
C23 C28 . 1.396(2) ?
C24 C25 . 1.395(3) ?
C24 H24 . 0.95 ?
C25 C26 . 1.376(3) ?
C25 H25 . 0.95 ?
C26 C27 . 1.383(3) ?
C26 H26 . 0.95 ?
C27 C28 . 1.386(3) ?
C27 H27 . 0.95 ?
C28 H28 . 0.95 ?
C29 C30 . 1.393(3) ?
C29 C34 . 1.393(2) ?
C30 C31 . 1.385(3) ?
C30 H30 . 0.95 ?
C31 C32 . 1.383(3) ?
C31 H31 . 0.95 ?
C32 C33 . 1.369(3) ?
C32 H32 . 0.95 ?
C33 C34 . 1.391(3) ?
C33 H33 . 0.95 ?
C34 H34 . 0.95 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Co1 N2 . . 81.83(6) ?
N1 Co1 P2 . . 148.54(5) ?
N2 Co1 P2 . . 96.85(5) ?
N1 Co1 P1 . . 93.82(5) ?
N2 Co1 P1 . . 115.86(5) ?
P2 Co1 P1 . . 114.437(19) ?
N1 Co1 H1 . . 95.0(7) ?
N2 Co1 H1 . . 165.0(7) ?
P2 Co1 H1 . . 78.2(7) ?
P1 Co1 H1 . . 78.9(7) ?
C14 P1 C8 . . 98.83(8) ?
C14 P1 C7 . . 102.89(8) ?
C8 P1 C7 . . 99.06(8) ?
C14 P1 Co1 . . 123.98(6) ?
C8 P1 Co1 . . 119.01(6) ?
C7 P1 Co1 . . 109.36(6) ?
C22 P2 C29 . . 103.43(8) ?
C22 P2 C23 . . 102.73(8) ?
C29 P2 C23 . . 98.83(8) ?
C22 P2 Co1 . . 110.37(6) ?
C29 P2 Co1 . . 121.64(6) ?
C23 P2 Co1 . . 117.40(6) ?
C2 N1 C5 . . 118.73(15) ?
C2 N1 Co1 . . 115.90(12) ?
C5 N1 Co1 . . 122.78(12) ?
C3 N2 C20 . . 115.47(15) ?
C3 N2 Co1 . . 114.42(12) ?
C20 N2 Co1 . . 130.06(12) ?
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
N1 C2 C3 . . 113.56(15) ?
N1 C2 C1 . . 122.00(17) ?
C3 C2 C1 . . 124.44(17) ?
N2 C3 C2 . . 113.86(16) ?
N2 C3 C4 . . 121.70(17) ?
C2 C3 C4 . . 124.42(17) ?
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 ?
N1 C5 C6 . . 111.46(14) ?
N1 C5 H5A . . 109.3 ?
C6 C5 H5A . . 109.3 ?
N1 C5 H5B . . 109.3 ?
C6 C5 H5B . . 109.3 ?
H5A C5 H5B . . 108.0 ?
C7 C6 C5 . . 113.02(15) ?
C7 C6 H6A . . 109.0 ?
C5 C6 H6A . . 109.0 ?
C7 C6 H6B . . 109.0 ?
C5 C6 H6B . . 109.0 ?
H6A C6 H6B . . 107.8 ?
C6 C7 P1 . . 112.00(13) ?
C6 C7 H7A . . 109.2 ?
P1 C7 H7A . . 109.2 ?
C6 C7 H7B . . 109.2 ?
P1 C7 H7B . . 109.2 ?
H7A C7 H7B . . 107.9 ?
C9 C8 C13 . . 118.92(17) ?
C9 C8 P1 . . 120.18(13) ?
C13 C8 P1 . . 120.82(14) ?
C8 C9 C10 . . 120.32(17) ?
C8 C9 H9 . . 119.8 ?
C10 C9 H9 . . 119.8 ?
C11 C10 C9 . . 120.27(18) ?
C11 C10 H10 . . 119.9 ?
C9 C10 H10 . . 119.9 ?
C12 C11 C10 . . 119.81(18) ?
C12 C11 H11 . . 120.1 ?
C10 C11 H11 . . 120.1 ?
C11 C12 C13 . . 120.13(18) ?
C11 C12 H12 . . 119.9 ?
C13 C12 H12 . . 119.9 ?
C12 C13 C8 . . 120.51(18) ?
C12 C13 H13 . . 119.7 ?
C8 C13 H13 . . 119.7 ?
C19 C14 C15 . . 118.16(17) ?
C19 C14 P1 . . 124.04(14) ?
C15 C14 P1 . . 117.81(14) ?
C16 C15 C14 . . 121.25(18) ?
C16 C15 H15 . . 119.4 ?
C14 C15 H15 . . 119.4 ?
C17 C16 C15 . . 119.78(19) ?
C17 C16 H16 . . 120.1 ?
C15 C16 H16 . . 120.1 ?
C18 C17 C16 . . 119.83(18) ?
C18 C17 H17 . . 120.1 ?
C16 C17 H17 . . 120.1 ?
C17 C18 C19 . . 120.41(19) ?
C17 C18 H18 . . 119.8 ?
C19 C18 H18 . . 119.8 ?
C14 C19 C18 . . 120.56(18) ?
C14 C19 H19 . . 119.7 ?
C18 C19 H19 . . 119.7 ?
N2 C20 C21 . . 114.65(15) ?
N2 C20 H20A . . 108.6 ?
C21 C20 H20A . . 108.6 ?
N2 C20 H20B . . 108.6 ?
C21 C20 H20B . . 108.6 ?
H20A C20 H20B . . 107.6 ?
C20 C21 C22 . . 112.12(15) ?
C20 C21 H21A . . 109.2 ?
C22 C21 H21A . . 109.2 ?
C20 C21 H21B . . 109.2 ?
C22 C21 H21B . . 109.2 ?
H21A C21 H21B . . 107.9 ?
C21 C22 P2 . . 109.03(12) ?
C21 C22 H22A . . 109.9 ?
P2 C22 H22A . . 109.9 ?
C21 C22 H22B . . 109.9 ?
P2 C22 H22B . . 109.9 ?
H22A C22 H22B . . 108.3 ?
C24 C23 C28 . . 117.94(16) ?
C24 C23 P2 . . 120.31(13) ?
C28 C23 P2 . . 121.70(14) ?
C23 C24 C25 . . 120.79(18) ?
C23 C24 H24 . . 119.6 ?
C25 C24 H24 . . 119.6 ?
C26 C25 C24 . . 120.49(18) ?
C26 C25 H25 . . 119.8 ?
C24 C25 H25 . . 119.8 ?
C25 C26 C27 . . 119.25(18) ?
C25 C26 H26 . . 120.4 ?
C27 C26 H26 . . 120.4 ?
C26 C27 C28 . . 120.60(17) ?
C26 C27 H27 . . 119.7 ?
C28 C27 H27 . . 119.7 ?
C27 C28 C23 . . 120.86(17) ?
C27 C28 H28 . . 119.6 ?
C23 C28 H28 . . 119.6 ?
C30 C29 C34 . . 117.87(16) ?
C30 C29 P2 . . 119.88(13) ?
C34 C29 P2 . . 122.23(14) ?
C31 C30 C29 . . 120.62(17) ?
C31 C30 H30 . . 119.7 ?
C29 C30 H30 . . 119.7 ?
C32 C31 C30 . . 120.85(18) ?
C32 C31 H31 . . 119.6 ?
C30 C31 H31 . . 119.6 ?
C33 C32 C31 . . 119.13(17) ?
C33 C32 H32 . . 120.4 ?
C31 C32 H32 . . 120.4 ?
C32 C33 C34 . . 120.55(18) ?
C32 C33 H33 . . 119.7 ?
C34 C33 H33 . . 119.7 ?
C33 C34 C29 . . 120.98(18) ?
C33 C34 H34 . . 119.5 ?
C29 C34 H34 . . 119.5 ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 Co1 N1 C2 . . . . 5.83(12) ?
P2 Co1 N1 C2 . . . . 95.60(14) ?
P1 Co1 N1 C2 . . . . -109.77(12) ?
N2 Co1 N1 C5 . . . . 167.28(14) ?
P2 Co1 N1 C5 . . . . -102.94(14) ?
P1 Co1 N1 C5 . . . . 51.69(13) ?
C5 N1 C2 C3 . . . . -169.67(15) ?
Co1 N1 C2 C3 . . . . -7.4(2) ?
C5 N1 C2 C1 . . . . 10.3(2) ?
Co1 N1 C2 C1 . . . . 172.56(13) ?
C20 N2 C3 C2 . . . . 177.66(15) ?
Co1 N2 C3 C2 . . . . -0.09(19) ?
C20 N2 C3 C4 . . . . -0.7(2) ?
Co1 N2 C3 C4 . . . . -178.45(14) ?
N1 C2 C3 N2 . . . . 4.8(2) ?
C1 C2 C3 N2 . . . . -175.21(16) ?
N1 C2 C3 C4 . . . . -176.92(17) ?
C1 C2 C3 C4 . . . . 3.1(3) ?
C2 N1 C5 C6 . . . . 91.21(19) ?
Co1 N1 C5 C6 . . . . -69.74(18) ?
N1 C5 C6 C7 . . . . 70.5(2) ?
C5 C6 C7 P1 . . . . -64.02(18) ?
C14 P1 C7 C6 . . . . -175.67(13) ?
C8 P1 C7 C6 . . . . -74.37(14) ?
Co1 P1 C7 C6 . . . . 50.84(14) ?
C14 P1 C8 C9 . . . . -139.07(15) ?
C7 P1 C8 C9 . . . . 116.25(15) ?
Co1 P1 C8 C9 . . . . -1.94(17) ?
C14 P1 C8 C13 . . . . 44.04(16) ?
C7 P1 C8 C13 . . . . -60.64(16) ?
Co1 P1 C8 C13 . . . . -178.83(12) ?
C13 C8 C9 C10 . . . . -0.7(3) ?
P1 C8 C9 C10 . . . . -177.65(14) ?
C8 C9 C10 C11 . . . . -1.0(3) ?
C9 C10 C11 C12 . . . . 1.8(3) ?
C10 C11 C12 C13 . . . . -0.8(3) ?
C11 C12 C13 C8 . . . . -1.0(3) ?
C9 C8 C13 C12 . . . . 1.7(3) ?
P1 C8 C13 C12 . . . . 178.66(14) ?
C8 P1 C14 C19 . . . . -122.65(17) ?
C7 P1 C14 C19 . . . . -21.18(18) ?
Co1 P1 C14 C19 . . . . 103.19(16) ?
C8 P1 C14 C15 . . . . 57.60(15) ?
C7 P1 C14 C15 . . . . 159.08(14) ?
Co1 P1 C14 C15 . . . . -76.56(15) ?
C19 C14 C15 C16 . . . . 1.5(3) ?
P1 C14 C15 C16 . . . . -178.71(14) ?
C14 C15 C16 C17 . . . . -0.7(3) ?
C15 C16 C17 C18 . . . . -0.5(3) ?
C16 C17 C18 C19 . . . . 0.9(3) ?
C15 C14 C19 C18 . . . . -1.1(3) ?
P1 C14 C19 C18 . . . . 179.13(15) ?
C17 C18 C19 C14 . . . . -0.1(3) ?
C3 N2 C20 C21 . . . . 178.05(15) ?
Co1 N2 C20 C21 . . . . -4.6(2) ?
N2 C20 C21 C22 . . . . -58.1(2) ?
C20 C21 C22 P2 . . . . 79.58(17) ?
C29 P2 C22 C21 . . . . 91.96(13) ?
C23 P2 C22 C21 . . . . -165.58(12) ?
Co1 P2 C22 C21 . . . . -39.63(13) ?
C22 P2 C23 C24 . . . . 156.13(15) ?
C29 P2 C23 C24 . . . . -97.85(16) ?
Co1 P2 C23 C24 . . . . 34.86(17) ?
C22 P2 C23 C28 . . . . -26.43(16) ?
C29 P2 C23 C28 . . . . 79.59(16) ?
Co1 P2 C23 C28 . . . . -147.69(13) ?
C28 C23 C24 C25 . . . . -0.9(3) ?
P2 C23 C24 C25 . . . . 176.59(16) ?
C23 C24 C25 C26 . . . . 2.5(3) ?
C24 C25 C26 C27 . . . . -1.5(3) ?
C25 C26 C27 C28 . . . . -1.1(3) ?
C26 C27 C28 C23 . . . . 2.7(3) ?
C24 C23 C28 C27 . . . . -1.6(3) ?
P2 C23 C28 C27 . . . . -179.14(14) ?
C22 P2 C29 C30 . . . . 165.80(15) ?
C23 P2 C29 C30 . . . . 60.36(16) ?
Co1 P2 C29 C30 . . . . -69.63(16) ?
C22 P2 C29 C34 . . . . -15.73(17) ?
C23 P2 C29 C34 . . . . -121.17(16) ?
Co1 P2 C29 C34 . . . . 108.85(14) ?
C34 C29 C30 C31 . . . . 0.3(3) ?
P2 C29 C30 C31 . . . . 178.87(15) ?
C29 C30 C31 C32 . . . . 0.2(3) ?
C30 C31 C32 C33 . . . . -0.3(3) ?
C31 C32 C33 C34 . . . . -0.1(3) ?
C32 C33 C34 C29 . . . . 0.6(3) ?
C30 C29 C34 C33 . . . . -0.7(3) ?
P2 C29 C34 C33 . . . . -179.23(15) ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C9 H9 N2 . 0.95 2.48 3.366(2) 154.3 ?

