#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005502.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7005502
loop_
_publ_author_name
'Bungu, Peter N.'
'Otto, Stefanus'
_publ_section_title
;
 Bicyclic phosphines as ligands for cobalt catalysed hydroformylation.
 Crystal structures of [Co(Phoban[3.3.1]-Q)(CO)(3)](2) (Q = C(2)H(5),
 C(5)H(11), C(3)H(6)NMe(2), C(6)H(11)).
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2876
_journal_page_last               2884
_journal_paper_doi               10.1039/b702709e
_journal_year                    2007
_chemical_formula_moiety         'C32 H50 Co2 O6 P2'
_chemical_formula_sum            'C32 H50 Co2 O6 P2'
_chemical_formula_weight         710.52
_chemical_name_common
;Hexacarbony-bis(9-pentyl-9-phosphabicyclo(3.3.1)nonane)-
dicobalt
;
_chemical_name_systematic
;
Hexacarbony-bis(9-pentyl-9-phosphabicyclo[3.3.1]nonane)-dicobalt
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.67(3)
_cell_angle_beta                 109.75(3)
_cell_angle_gamma                109.15(3)
_cell_formula_units_Z            1
_cell_length_a                   9.2166(18)
_cell_length_b                   9.3388(19)
_cell_length_c                   11.667(2)
_cell_measurement_reflns_used    725
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.74
_cell_volume                     878.7(4)
_computing_cell_refinement       'SAINT+ (Bruker, 1999)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  Word
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART 1K CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            6128
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 'After collection'
_diffrn_standards_interval_time  'After collection'
_diffrn_standards_number
'First 50 frames repeated after data collection.'
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.856
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Prism
_exptl_crystal_F_000             374
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.348
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         4248
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0512P)²+0.0792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0927
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                2976
_reflns_number_total             4248
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702709e.txt
_cod_data_source_block           coc5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'Multi-scans' was replaced
with 'multi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        878.7(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005502
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co 0.45527(4) 0.58823(4) 0.56538(3) 0.04429(13) Uani 1 d . . .
P P 0.40422(8) 0.71952(7) 0.69956(6) 0.04279(16) Uani 1 d . . .
C1 C 0.3176(4) 0.6022(3) 0.4196(3) 0.0601(7) Uani 1 d . . .
C2 C 0.3892(4) 0.4216(3) 0.6282(3) 0.0613(7) Uani 1 d . . .
C3 C 0.6616(4) 0.7219(3) 0.6127(3) 0.0537(6) Uani 1 d . . .
O1 O 0.2317(3) 0.6087(3) 0.3246(2) 0.0988(8) Uani 1 d . . .
O2 O 0.3414(4) 0.3180(3) 0.6721(2) 0.0950(8) Uani 1 d . . .
O3 O 0.7926(3) 0.8135(3) 0.6445(2) 0.0749(6) Uani 1 d . . .
C11 C 0.1885(3) 0.6750(3) 0.6845(2) 0.0516(6) Uani 1 d . . .
H11 H 0.1399 0.5644 0.6837 0.062 Uiso 1 calc R . .
C12 C 0.1787(4) 0.7612(4) 0.7952(3) 0.0678(8) Uani 1 d . . .
H12A H 0.0628 0.7347 0.7827 0.081 Uiso 1 calc R . .
H12B H 0.2292 0.7238 0.8689 0.081 Uiso 1 calc R . .
C13 C 0.2601(4) 0.9355(4) 0.8196(3) 0.0751(9) Uani 1 d . . .
H13A H 0.2702 0.9738 0.9018 0.090 Uiso 1 calc R . .
H13B H 0.1864 0.9753 0.7611 0.090 Uiso 1 calc R . .
C14 C 0.4305(4) 1.0023(3) 0.8112(3) 0.0695(8) Uani 1 d . . .
H14A H 0.5121 0.9948 0.8869 0.083 Uiso 1 calc R . .
H14B H 0.4554 1.1109 0.8075 0.083 Uiso 1 calc R . .
C15 C 0.4515(3) 0.9261(3) 0.7004(2) 0.0533(6) Uani 1 d . . .
H15 H 0.5679 0.9733 0.7100 0.064 Uiso 1 calc R . .
C16 C 0.3455(4) 0.9451(3) 0.5741(3) 0.0605(7) Uani 1 d . . .
H16A H 0.3754 0.9022 0.5120 0.073 Uiso 1 calc R . .
H16B H 0.3741 1.0544 0.5724 0.073 Uiso 1 calc R . .
C17 C 0.1572(4) 0.8714(4) 0.5360(3) 0.0674(8) Uani 1 d . . .
H17A H 0.1222 0.9355 0.5803 0.081 Uiso 1 calc R . .
H17B H 0.1055 0.8711 0.4484 0.081 Uiso 1 calc R . .
C18 C 0.0932(3) 0.7078(3) 0.5595(3) 0.0592(7) Uani 1 d . . .
H18A H 0.0929 0.6386 0.4948 0.071 Uiso 1 calc R . .
H18B H -0.0209 0.6826 0.5518 0.071 Uiso 1 calc R . .
C21 C 0.5050(4) 0.6921(4) 0.8574(3) 0.0624(7) Uani 1 d . . .
H21A H 0.4878 0.7589 0.9136 0.075 Uiso 1 calc R . .
H21B H 0.4480 0.5869 0.8637 0.075 Uiso 1 calc R . .
C22 C 0.6871(4) 0.7211(4) 0.9029(3) 0.0744(9) Uani 1 d D . .
H22A H 0.7056 0.6492 0.8519 0.089 Uiso 1 calc R A 1
H22B H 0.7457 0.8244 0.8936 0.089 Uiso 1 calc R A 1
C231 C 0.7564(18) 0.705(3) 1.0348(14) 0.086(7) Uani 0.304(14) d PDU B 1
H23A H 0.7006 0.7436 1.0787 0.103 Uiso 0.304(14) calc PR B 1
H23B H 0.7268 0.5957 1.0375 0.103 Uiso 0.304(14) calc PR B 1
C241 C 0.9375(16) 0.781(2) 1.1050(13) 0.120(6) Uani 0.304(14) d PDU B 1
H24A H 0.9645 0.8915 1.1155 0.144 Uiso 0.304(14) calc PR B 1
H24B H 0.9623 0.7539 1.1868 0.144 Uiso 0.304(14) calc PR B 1
C251 C 1.046(3) 0.746(3) 1.052(2) 0.136(10) Uani 0.304(14) d PDU B 1
H25A H 1.0115 0.6363 1.0306 0.204 Uiso 0.304(14) calc PR B 1
H25B H 1.1575 0.7866 1.1120 0.204 Uiso 0.304(14) calc PR B 1
H25C H 1.0407 0.7915 0.9798 0.204 Uiso 0.304(14) calc PR B 1
C232 C 0.7494(9) 0.6631(15) 1.0234(7) 0.082(3) Uani 0.696(14) d PDU B 2
H23C H 0.7389 0.7234 1.0880 0.098 Uiso 0.696(14) calc PR B 2
H23D H 0.6766 0.5574 1.0136 0.098 Uiso 0.696(14) calc PR B 2
C242 C 0.9230(8) 0.6679(10) 1.0668(7) 0.108(3) Uani 0.696(14) d PDU B 2
H24C H 0.9412 0.6133 1.1359 0.129 Uiso 0.696(14) calc PR B 2
H24D H 0.9371 0.6140 1.0007 0.129 Uiso 0.696(14) calc PR B 2
C252 C 1.0481(12) 0.8232(12) 1.1053(13) 0.156(5) Uani 0.696(14) d PDU B 2
H25D H 1.0295 0.8792 1.0382 0.233 Uiso 0.696(14) calc PR B 2
H25E H 1.1561 0.8177 1.1279 0.233 Uiso 0.696(14) calc PR B 2
H25F H 1.0408 0.8750 1.1750 0.233 Uiso 0.696(14) calc PR B 2
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'
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'
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
C2 Co C3 125.90(14) . . ?
C2 Co C1 117.62(15) . . ?
C3 Co C1 114.72(14) . . ?
C2 Co P 89.41(9) . . ?
C3 Co P 91.65(9) . . ?
C1 Co P 103.00(9) . . ?
C2 Co Co 84.39(9) . 2_666 ?
C3 Co Co 86.20(9) . 2_666 ?
C1 Co Co 86.29(8) . 2_666 ?
P Co Co 170.49(3) . 2_666 ?
C15 P C21 108.44(14) . . ?
C15 P C11 95.19(13) . . ?
C21 P C11 103.37(13) . . ?
C15 P Co 118.47(9) . . ?
C21 P Co 110.73(10) . . ?
C11 P Co 118.76(9) . . ?
O1 C1 Co 177.9(2) . . ?
O2 C2 Co 175.7(2) . . ?
O3 C3 Co 176.9(2) . . ?
C18 C11 C12 113.6(2) . . ?
C18 C11 P 108.65(17) . . ?
C12 C11 P 111.34(19) . . ?
C18 C11 H11 107.7 . . ?
C12 C11 H11 107.7 . . ?
P C11 H11 107.7 . . ?
C13 C12 C11 116.3(2) . . ?
C13 C12 H12A 108.2 . . ?
C11 C12 H12A 108.2 . . ?
C13 C12 H12B 108.2 . . ?
C11 C12 H12B 108.2 . . ?
H12A C12 H12B 107.4 . . ?
C12 C13 C14 116.9(2) . . ?
C12 C13 H13A 108.1 . . ?
C14 C13 H13A 108.1 . . ?
C12 C13 H13B 108.1 . . ?
C14 C13 H13B 108.1 . . ?
H13A C13 H13B 107.3 . . ?
C13 C14 C15 116.1(2) . . ?
C13 C14 H14A 108.3 . . ?
C15 C14 H14A 108.3 . . ?
C13 C14 H14B 108.3 . . ?
C15 C14 H14B 108.3 . . ?
H14A C14 H14B 107.4 . . ?
C16 C15 C14 114.6(2) . . ?
C16 C15 P 107.67(18) . . ?
C14 C15 P 111.02(19) . . ?
C16 C15 H15 107.8 . . ?
C14 C15 H15 107.8 . . ?
P C15 H15 107.8 . . ?
C15 C16 C17 116.8(2) . . ?
C15 C16 H16A 108.1 . . ?
C17 C16 H16A 108.1 . . ?
C15 C16 H16B 108.1 . . ?
C17 C16 H16B 108.1 . . ?
H16A C16 H16B 107.3 . . ?
C18 C17 C16 115.4(2) . . ?
C18 C17 H17A 108.4 . . ?
C16 C17 H17A 108.4 . . ?
C18 C17 H17B 108.4 . . ?
C16 C17 H17B 108.4 . . ?
H17A C17 H17B 107.5 . . ?
C17 C18 C11 116.7(2) . . ?
C17 C18 H18A 108.1 . . ?
C11 C18 H18A 108.1 . . ?
C17 C18 H18B 108.1 . . ?
C11 C18 H18B 108.1 . . ?
H18A C18 H18B 107.3 . . ?
C22 C21 P 118.1(2) . . ?
C22 C21 H21A 107.8 . . ?
P C21 H21A 107.8 . . ?
C22 C21 H21B 107.8 . . ?
P C21 H21B 107.8 . . ?
H21A C21 H21B 107.1 . . ?
C231 C22 C21 112.9(7) . . ?
C231 C22 C232 14.5(15) . . ?
C21 C22 C232 113.3(4) . . ?
C231 C22 H22A 109.0 . . ?
C21 C22 H22A 109.0 . . ?
C232 C22 H22A 95.9 . . ?
C231 C22 H22B 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C232 C22 H22B 120.5 . . ?
H22A C22 H22B 107.8 . . ?
C241 C231 C22 118.7(13) . . ?
C241 C231 H23A 107.6 . . ?
C22 C231 H23A 107.6 . . ?
C241 C231 H23B 107.6 . . ?
C22 C231 H23B 107.6 . . ?
H23A C231 H23B 107.1 . . ?
C251 C241 C231 117.2(14) . . ?
C251 C241 H24A 108.0 . . ?
C231 C241 H24A 108.0 . . ?
C251 C241 H24B 108.0 . . ?
C231 C241 H24B 108.0 . . ?
H24A C241 H24B 107.3 . . ?
C242 C232 C22 117.1(6) . . ?
C242 C232 H23C 108.0 . . ?
C22 C232 H23C 108.0 . . ?
C242 C232 H23D 108.0 . . ?
C22 C232 H23D 108.0 . . ?
H23C C232 H23D 107.3 . . ?
C252 C242 C232 114.0(9) . . ?
C252 C242 H24C 108.8 . . ?
C232 C242 H24C 108.8 . . ?
C252 C242 H24D 108.8 . . ?
C232 C242 H24D 108.8 . . ?
H24C C242 H24D 107.7 . . ?
C242 C252 H25D 109.5 . . ?
C242 C252 H25E 109.5 . . ?
H25D C252 H25E 109.5 . . ?
C242 C252 H25F 109.5 . . ?
H25D C252 H25F 109.5 . . ?
H25E C252 H25F 109.5 . . ?
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
Co C2 1.765(3) . ?
Co C3 1.774(3) . ?
Co C1 1.786(3) . ?
Co P 2.2074(9) . ?
Co Co 2.6888(9) 2_666 ?
P C15 1.832(3) . ?
P C21 1.834(3) . ?
P C11 1.836(3) . ?
C1 O1 1.142(3) . ?
C2 O2 1.146(3) . ?
C3 O3 1.148(3) . ?
C11 C18 1.531(4) . ?
C11 C12 1.534(4) . ?
C11 H11 0.9800 . ?
C12 C13 1.519(5) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.527(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.546(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.524(4) . ?
C15 H15 0.9800 . ?
C16 C17 1.533(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.522(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C21 C22 1.503(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C231 1.490(14) . ?
C22 C232 1.527(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C231 C241 1.485(14) . ?
C231 H23A 0.9700 . ?
C231 H23B 0.9700 . ?
C241 C251 1.447(14) . ?
C241 H24A 0.9700 . ?
C241 H24B 0.9700 . ?
C251 H25A 0.9600 . ?
C251 H25B 0.9600 . ?
C251 H25C 0.9600 . ?
C232 C242 1.491(8) . ?
C232 H23C 0.9700 . ?
C232 H23D 0.9700 . ?
C242 C252 1.458(10) . ?
C242 H24C 0.9700 . ?
C242 H24D 0.9700 . ?
C252 H25D 0.9600 . ?
C252 H25E 0.9600 . ?
C252 H25F 0.9600 . ?
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
C2 Co P C15 177.65(14) . . . . ?
C3 Co P C15 51.75(14) . . . . ?
C1 Co P C15 -64.09(15) . . . . ?
Co Co P C15 128.46(18) 2_666 . . . ?
C2 Co P C21 51.50(15) . . . . ?
C3 Co P C21 -74.40(14) . . . . ?
C1 Co P C21 169.76(14) . . . . ?
Co Co P C21 2.3(2) 2_666 . . . ?
C2 Co P C11 -67.83(15) . . . . ?
C3 Co P C11 166.27(13) . . . . ?
C1 Co P C11 50.43(15) . . . . ?
Co Co P C11 -117.02(19) 2_666 . . . ?
C2 Co C1 O1 -87(8) . . . . ?
C3 Co C1 O1 78(8) . . . . ?
P Co C1 O1 176(8) . . . . ?
Co Co C1 O1 -6(8) 2_666 . . . ?
C3 Co C2 O2 110(4) . . . . ?
C1 Co C2 O2 -86(4) . . . . ?
P Co C2 O2 18(4) . . . . ?
Co Co C2 O2 -169(4) 2_666 . . . ?
C2 Co C3 O3 -121(5) . . . . ?
C1 Co C3 O3 74(5) . . . . ?
P Co C3 O3 -31(5) . . . . ?
Co Co C3 O3 159(5) 2_666 . . . ?
C15 P C11 C18 64.6(2) . . . . ?
C21 P C11 C18 174.97(19) . . . . ?
Co P C11 C18 -62.0(2) . . . . ?
C15 P C11 C12 -61.3(2) . . . . ?
C21 P C11 C12 49.1(2) . . . . ?
Co P C11 C12 172.14(16) . . . . ?
C18 C11 C12 C13 -65.5(3) . . . . ?
P C11 C12 C13 57.6(3) . . . . ?
C11 C12 C13 C14 -43.8(4) . . . . ?
C12 C13 C14 C15 43.7(4) . . . . ?
C13 C14 C15 C16 64.9(3) . . . . ?
C13 C14 C15 P -57.4(3) . . . . ?
C21 P C15 C16 -171.21(18) . . . . ?
C11 P C15 C16 -65.2(2) . . . . ?
Co P C15 C16 61.5(2) . . . . ?
C21 P C15 C14 -45.0(2) . . . . ?
C11 P C15 C14 61.0(2) . . . . ?
Co P C15 C14 -172.22(16) . . . . ?
C14 C15 C16 C17 -63.3(3) . . . . ?
P C15 C16 C17 60.8(3) . . . . ?
C15 C16 C17 C18 -45.4(3) . . . . ?
C16 C17 C18 C11 44.0(3) . . . . ?
C12 C11 C18 C17 65.8(3) . . . . ?
P C11 C18 C17 -58.7(3) . . . . ?
C15 P C21 C22 -79.0(3) . . . . ?
C11 P C21 C22 -179.3(2) . . . . ?
Co P C21 C22 52.5(3) . . . . ?
P C21 C22 C231 176.3(12) . . . . ?
P C21 C22 C232 -168.0(6) . . . . ?
C21 C22 C231 C241 -158.7(15) . . . . ?
C232 C22 C231 C241 107(4) . . . . ?
C22 C231 C241 C251 -54(3) . . . . ?
C231 C22 C232 C242 -96(3) . . . . ?
C21 C22 C232 C242 172.1(7) . . . . ?
C22 C232 C242 C252 67.6(13) . . . . ?
