#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:20:36 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179686 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/08/7000889.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_7000889
loop_
_publ_author_name
'Godard, Cyril'
'Duckett, Simon B.'
'Polas, Stacey'
'Tooze, Robert'
'Whitwood, Adrian C.'
_publ_section_title
;
 An NMR study of cobalt-catalyzed hydroformylation using para-hydrogen
 induced polarisation
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              2496
_journal_page_last               2509
_journal_paper_doi               10.1039/b815853c
_journal_year                    2009
_chemical_formula_moiety         'C30 H29 Co O P2'
_chemical_formula_sum            'C30 H29 Co O P2'
_chemical_formula_weight         526.40
_chemical_name_systematic
;
?
;
_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                93.077(2)
_cell_angle_beta                 104.880(2)
_cell_angle_gamma                101.761(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4425(7)
_cell_length_b                   9.4559(6)
_cell_length_c                   14.7071(10)
_cell_measurement_reflns_used    2638
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      2.21
_cell_volume                     1234.65(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7070
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.846
_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.822
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03; (Sheldrick)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.587
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4325
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0343
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0448P)²+0.4169P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                3560
_reflns_number_total             4325
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815853c.txt
_cod_data_source_block           sbd0401m
_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 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000889
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C5 C -0.0668(3) 0.4369(3) 0.74450(17) 0.0179(5) Uani 1 1 d . . .
H5A H -0.1759 0.3935 0.7201 0.021 Uiso 1 1 calc R . .
H5B H -0.0506 0.5049 0.8017 0.021 Uiso 1 1 calc R . .
Co1 Co 0.22121(4) 0.31334(3) 0.71022(2) 0.01574(11) Uani 1 1 d . . .
P2 P 0.19351(7) 0.53426(6) 0.69671(4) 0.01520(15) Uani 1 1 d . . .
P1 P 0.03793(7) 0.29058(6) 0.77541(4) 0.01512(15) Uani 1 1 d . . .
O1 O 0.1012(2) 0.1771(2) 0.51497(13) 0.0360(5) Uani 1 1 d . . .
C30 C 0.3274(3) 0.5781(3) 0.54859(17) 0.0214(6) Uani 1 1 d . . .
H30 H 0.3420 0.4821 0.5543 0.026 Uiso 1 1 calc R . .
C25 C 0.2542(3) 0.6377(3) 0.60646(16) 0.0176(5) Uani 1 1 d . . .
C10 C 0.2026(3) 0.3276(3) 1.10329(17) 0.0206(5) Uani 1 1 d . . .
H10 H 0.2387 0.3348 1.1703 0.025 Uiso 1 1 calc R . .
C12 C 0.1530(3) 0.4413(3) 0.95970(17) 0.0195(5) Uani 1 1 d . . .
H12 H 0.1580 0.5273 0.9290 0.023 Uiso 1 1 calc R . .
C24 C 0.1824(3) 0.7555(3) 0.83408(18) 0.0210(6) Uani 1 1 d . . .
H24 H 0.0862 0.7589 0.7950 0.025 Uiso 1 1 calc R . .
C20 C 0.4107(3) 0.6724(3) 0.85934(17) 0.0200(5) Uani 1 1 d . . .
H20 H 0.4710 0.6160 0.8382 0.024 Uiso 1 1 calc R . .
C18 C -0.2388(3) 0.1174(3) 0.78332(17) 0.0193(5) Uani 1 1 d . . .
H18 H -0.2437 0.1973 0.8235 0.023 Uiso 1 1 calc R . .
C17 C -0.3552(3) -0.0051(3) 0.76057(17) 0.0212(6) Uani 1 1 d . . .
H17 H -0.4396 -0.0091 0.7850 0.025 Uiso 1 1 calc R . .
C13 C -0.1137(3) 0.1248(2) 0.74773(16) 0.0170(5) Uani 1 1 d . . .
C14 C -0.1076(3) 0.0062(3) 0.69021(17) 0.0203(5) Uani 1 1 d . . .
H14 H -0.0227 0.0091 0.6664 0.024 Uiso 1 1 calc R . .
C3 C 0.4070(3) 0.2967(3) 0.80584(18) 0.0221(6) Uani 1 1 d . . .
H3 H 0.4396 0.3500 0.8669 0.027 Uiso 1 1 calc R . .
C26 C 0.2319(3) 0.7785(3) 0.59571(18) 0.0235(6) Uani 1 1 d . . .
H26 H 0.1813 0.8204 0.6344 0.028 Uiso 1 1 calc R . .
C16 C -0.3485(3) -0.1217(3) 0.70215(18) 0.0229(6) Uani 1 1 d . . .
H16 H -0.4290 -0.2055 0.6860 0.027 Uiso 1 1 calc R . .
C11 C 0.2067(3) 0.4521(3) 1.05769(18) 0.0221(6) Uani 1 1 d . . .
H11 H 0.2461 0.5450 1.0934 0.027 Uiso 1 1 calc R . .
C22 C 0.3791(3) 0.8364(3) 0.97889(18) 0.0248(6) Uani 1 1 d . . .
H22 H 0.4154 0.8904 1.0398 0.030 Uiso 1 1 calc R . .
C15 C -0.2251(3) -0.1169(3) 0.66715(18) 0.0235(6) Uani 1 1 d . . .
H15 H -0.2205 -0.1975 0.6274 0.028 Uiso 1 1 calc R . .
C21 C 0.4681(3) 0.7568(3) 0.94655(18) 0.0241(6) Uani 1 1 d . . .
H21 H 0.5674 0.7600 0.9837 0.029 Uiso 1 1 calc R . .
C7 C 0.0923(3) 0.3068(3) 0.90589(17) 0.0165(5) Uani 1 1 d . . .
C28 C 0.3577(3) 0.7964(3) 0.47247(18) 0.0270(6) Uani 1 1 d . . .
H28 H 0.3935 0.8504 0.4271 0.032 Uiso 1 1 calc R . .
C8 C 0.0901(3) 0.1823(3) 0.95298(18) 0.0216(6) Uani 1 1 d . . .
H8 H 0.0500 0.0893 0.9176 0.026 Uiso 1 1 calc R . .
C23 C 0.2373(3) 0.8372(3) 0.92237(18) 0.0237(6) Uani 1 1 d . . .
H23 H 0.1774 0.8937 0.9439 0.028 Uiso 1 1 calc R . .
C4 C 0.4521(3) 0.3511(3) 0.72731(18) 0.0222(6) Uani 1 1 d . . .
H4A H 0.4171 0.2944 0.6673 0.027 Uiso 1 1 calc R . .
H4B H 0.5174 0.4443 0.7346 0.027 Uiso 1 1 calc R . .
C29 C 0.3795(3) 0.6579(3) 0.48228(18) 0.0251(6) Uani 1 1 d . . .
H29 H 0.4304 0.6164 0.4436 0.030 Uiso 1 1 calc R . .
C6 C -0.0106(3) 0.5189(3) 0.66914(17) 0.0176(5) Uani 1 1 d . . .
H6A H -0.0329 0.6168 0.6698 0.021 Uiso 1 1 calc R . .
H6B H -0.0611 0.4655 0.6055 0.021 Uiso 1 1 calc R . .
C1 C 0.1475(3) 0.2293(3) 0.59225(19) 0.0218(6) Uani 1 1 d . . .
C9 C 0.1457(3) 0.1926(3) 1.05067(18) 0.0224(6) Uani 1 1 d . . .
H9 H 0.1447 0.1068 1.0815 0.027 Uiso 1 1 calc R . .
C2 C 0.3100(3) 0.1570(3) 0.78643(19) 0.0244(6) Uani 1 1 d . . .
H2A H 0.2799 0.1071 0.7244 0.029 Uiso 1 1 calc R . .
H2B H 0.2747 0.1131 0.8355 0.029 Uiso 1 1 calc R . .
C27 C 0.2829(3) 0.8573(3) 0.52926(19) 0.0286(6) Uani 1 1 d . . .
H27 H 0.2670 0.9526 0.5224 0.034 Uiso 1 1 calc R . .
C19 C 0.2669(3) 0.6687(2) 0.80213(16) 0.0165(5) Uani 1 1 d . . .
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
C6 C5 P1 109.25(16) . . ?
C6 C5 H5A 109.8 . . ?
P1 C5 H5A 109.8 . . ?
C6 C5 H5B 109.8 . . ?
P1 C5 H5B 109.8 . . ?
H5A C5 H5B 108.3 . . ?
C1 Co1 C3 128.64(11) . . ?
C1 Co1 C4 102.12(11) . . ?
C3 Co1 C4 40.66(10) . . ?
C1 Co1 C2 104.84(11) . . ?
C3 Co1 C2 40.53(10) . . ?
C4 Co1 C2 69.86(10) . . ?
C1 Co1 P1 107.89(9) . . ?
C3 Co1 P1 109.22(8) . . ?
C4 Co1 P1 148.17(7) . . ?
C2 Co1 P1 92.05(8) . . ?
C1 Co1 P2 102.69(8) . . ?
C3 Co1 P2 114.63(8) . . ?
C4 Co1 P2 98.66(7) . . ?
C2 Co1 P2 151.84(8) . . ?
P1 Co1 P2 85.06(3) . . ?
C25 P2 C19 101.80(11) . . ?
C25 P2 C6 105.39(11) . . ?
C19 P2 C6 102.81(11) . . ?
C25 P2 Co1 121.32(8) . . ?
C19 P2 Co1 118.73(8) . . ?
C6 P2 Co1 104.71(8) . . ?
C13 P1 C7 100.58(11) . . ?
C13 P1 C5 102.73(11) . . ?
C7 P1 C5 104.69(11) . . ?
C13 P1 Co1 121.08(8) . . ?
C7 P1 Co1 115.78(8) . . ?
C5 P1 Co1 110.06(8) . . ?
C25 C30 C29 120.5(2) . . ?
C25 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C30 C25 C26 118.7(2) . . ?
C30 C25 P2 119.92(19) . . ?
C26 C25 P2 121.34(19) . . ?
C11 C10 C9 119.6(2) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C11 C12 C7 121.1(2) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C23 C24 C19 120.9(2) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
C21 C20 C19 121.6(2) . . ?
C21 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C17 C18 C13 120.7(2) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C18 C17 C16 119.9(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C14 C13 C18 118.8(2) . . ?
C14 C13 P1 120.85(19) . . ?
C18 C13 P1 120.32(18) . . ?
C13 C14 C15 120.5(2) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C2 C3 C4 114.9(2) . . ?
C2 C3 Co1 73.41(15) . . ?
C4 C3 Co1 73.27(15) . . ?
C2 C3 H3 122.5 . . ?
C4 C3 H3 122.5 . . ?
Co1 C3 H3 122.2 . . ?
C27 C26 C25 120.7(2) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C15 C16 C17 120.2(2) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C23 C22 C21 120.0(2) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C12 C7 C8 118.0(2) . . ?
C12 C7 P1 121.30(18) . . ?
C8 C7 P1 120.24(18) . . ?
C29 C28 C27 119.9(2) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C9 C8 C7 121.0(2) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C22 C23 C24 120.1(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C3 C4 Co1 66.07(14) . . ?
C3 C4 H4A 120.0 . . ?
Co1 C4 H4A 80.3 . . ?
C3 C4 H4B 120.0 . . ?
Co1 C4 H4B 125.0 . . ?
H4A C4 H4B 120.0 . . ?
C28 C29 C30 120.4(2) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C5 C6 P2 107.59(16) . . ?
C5 C6 H6A 110.2 . . ?
P2 C6 H6A 110.2 . . ?
C5 C6 H6B 110.2 . . ?
P2 C6 H6B 110.2 . . ?
H6A C6 H6B 108.5 . . ?
O1 C1 Co1 178.6(2) . . ?
C10 C9 C8 120.1(2) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C3 C2 Co1 66.06(14) . . ?
C3 C2 H2A 120.0 . . ?
Co1 C2 H2A 80.3 . . ?
C3 C2 H2B 120.0 . . ?
Co1 C2 H2B 125.1 . . ?
H2A C2 H2B 120.0 . . ?
C26 C27 C28 119.8(3) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C20 C19 C24 117.9(2) . . ?
C20 C19 P2 117.49(18) . . ?
C24 C19 P2 124.26(19) . . ?
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
C5 C6 1.529(3) . ?
C5 P1 1.869(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
Co1 C1 1.770(3) . ?
Co1 C3 1.987(3) . ?
Co1 C4 2.082(3) . ?
Co1 C2 2.084(3) . ?
Co1 P1 2.1640(7) . ?
Co1 P2 2.1709(7) . ?
P2 C25 1.830(2) . ?
P2 C19 1.838(2) . ?
P2 C6 1.838(2) . ?
P1 C13 1.841(2) . ?
P1 C7 1.844(2) . ?
O1 C1 1.150(3) . ?
C30 C25 1.389(4) . ?
C30 C29 1.392(3) . ?
C30 H30 0.9500 . ?
C25 C26 1.401(3) . ?
C10 C11 1.384(4) . ?
C10 C9 1.385(4) . ?
C10 H10 0.9500 . ?
C12 C11 1.390(3) . ?
C12 C7 1.391(3) . ?
C12 H12 0.9500 . ?
C24 C23 1.391(4) . ?
C24 C19 1.396(3) . ?
C24 H24 0.9500 . ?
C20 C21 1.390(4) . ?
C20 C19 1.395(4) . ?
C20 H20 0.9500 . ?
C18 C17 1.382(4) . ?
C18 C13 1.401(3) . ?
C18 H18 0.9500 . ?
C17 C16 1.383(4) . ?
C17 H17 0.9500 . ?
C13 C14 1.388(3) . ?
C14 C15 1.393(4) . ?
C14 H14 0.9500 . ?
C3 C2 1.413(4) . ?
C3 C4 1.417(4) . ?
C3 H3 0.9500 . ?
C26 C27 1.384(4) . ?
C26 H26 0.9500 . ?
C16 C15 1.383(4) . ?
C16 H16 0.9500 . ?
C11 H11 0.9500 . ?
C22 C23 1.385(4) . ?
C22 C21 1.387(4) . ?
C22 H22 0.9500 . ?
C15 H15 0.9500 . ?
C21 H21 0.9500 . ?
C7 C8 1.396(3) . ?
C28 C29 1.376(4) . ?
C28 C27 1.395(4) . ?
C28 H28 0.9500 . ?
C8 C9 1.388(4) . ?
C8 H8 0.9500 . ?
C23 H23 0.9500 . ?
C4 H4A 0.9500 . ?
C4 H4B 0.9500 . ?
C29 H29 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C9 H9 0.9500 . ?
C2 H2A 0.9500 . ?
C2 H2B 0.9500 . ?
C27 H27 0.9500 . ?
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
C1 Co1 P2 C25 -48.70(13) . . . . ?
C3 Co1 P2 C25 95.14(12) . . . . ?
C4 Co1 P2 C25 55.89(12) . . . . ?
C2 Co1 P2 C25 118.93(18) . . . . ?
P1 Co1 P2 C25 -155.96(9) . . . . ?
C1 Co1 P2 C19 -176.04(12) . . . . ?
C3 Co1 P2 C19 -32.20(13) . . . . ?
C4 Co1 P2 C19 -71.45(12) . . . . ?
C2 Co1 P2 C19 -8.41(19) . . . . ?
P1 Co1 P2 C19 76.70(9) . . . . ?
C1 Co1 P2 C6 70.05(12) . . . . ?
C3 Co1 P2 C6 -146.11(11) . . . . ?
C4 Co1 P2 C6 174.64(11) . . . . ?
C2 Co1 P2 C6 -122.32(18) . . . . ?
P1 Co1 P2 C6 -37.21(8) . . . . ?
C6 C5 P1 C13 -121.44(17) . . . . ?
C6 C5 P1 C7 133.85(17) . . . . ?
C6 C5 P1 Co1 8.80(18) . . . . ?
C1 Co1 P1 C13 36.43(12) . . . . ?
C3 Co1 P1 C13 -107.42(12) . . . . ?
C4 Co1 P1 C13 -123.34(16) . . . . ?
C2 Co1 P1 C13 -69.88(12) . . . . ?
P2 Co1 P1 C13 138.19(9) . . . . ?
C1 Co1 P1 C7 158.38(12) . . . . ?
C3 Co1 P1 C7 14.54(12) . . . . ?
C4 Co1 P1 C7 -1.39(17) . . . . ?
C2 Co1 P1 C7 52.07(12) . . . . ?
P2 Co1 P1 C7 -99.86(9) . . . . ?
C1 Co1 P1 C5 -83.18(12) . . . . ?
C3 Co1 P1 C5 132.97(12) . . . . ?
C4 Co1 P1 C5 117.05(16) . . . . ?
C2 Co1 P1 C5 170.51(11) . . . . ?
P2 Co1 P1 C5 18.58(9) . . . . ?
C29 C30 C25 C26 1.0(4) . . . . ?
C29 C30 C25 P2 -177.38(19) . . . . ?
C19 P2 C25 C30 130.8(2) . . . . ?
C6 P2 C25 C30 -122.2(2) . . . . ?
Co1 P2 C25 C30 -3.8(2) . . . . ?
C19 P2 C25 C26 -47.5(2) . . . . ?
C6 P2 C25 C26 59.5(2) . . . . ?
Co1 P2 C25 C26 177.91(17) . . . . ?
C13 C18 C17 C16 0.0(4) . . . . ?
C17 C18 C13 C14 -0.9(4) . . . . ?
C17 C18 C13 P1 178.08(18) . . . . ?
C7 P1 C13 C14 -123.9(2) . . . . ?
C5 P1 C13 C14 128.3(2) . . . . ?
Co1 P1 C13 C14 5.1(2) . . . . ?
C7 P1 C13 C18 57.2(2) . . . . ?
C5 P1 C13 C18 -50.7(2) . . . . ?
Co1 P1 C13 C18 -173.80(16) . . . . ?
C18 C13 C14 C15 1.0(4) . . . . ?
P1 C13 C14 C15 -177.90(18) . . . . ?
C1 Co1 C3 C2 -64.5(2) . . . . ?
C4 Co1 C3 C2 -123.3(2) . . . . ?
P1 Co1 C3 C2 69.55(15) . . . . ?
P2 Co1 C3 C2 162.96(13) . . . . ?
C1 Co1 C3 C4 58.8(2) . . . . ?
C2 Co1 C3 C4 123.3(2) . . . . ?
P1 Co1 C3 C4 -167.17(13) . . . . ?
P2 Co1 C3 C4 -73.75(16) . . . . ?
C30 C25 C26 C27 -0.5(4) . . . . ?
P2 C25 C26 C27 177.8(2) . . . . ?
C18 C17 C16 C15 0.6(4) . . . . ?
C9 C10 C11 C12 0.4(4) . . . . ?
C7 C12 C11 C10 1.1(4) . . . . ?
C17 C16 C15 C14 -0.5(4) . . . . ?
C13 C14 C15 C16 -0.4(4) . . . . ?
C23 C22 C21 C20 -3.3(4) . . . . ?
C19 C20 C21 C22 1.7(4) . . . . ?
C11 C12 C7 C8 -1.6(4) . . . . ?
C11 C12 C7 P1 -174.0(2) . . . . ?
C13 P1 C7 C12 -151.6(2) . . . . ?
C5 P1 C7 C12 -45.3(2) . . . . ?
Co1 P1 C7 C12 76.0(2) . . . . ?
C13 P1 C7 C8 36.1(2) . . . . ?
C5 P1 C7 C8 142.4(2) . . . . ?
Co1 P1 C7 C8 -96.3(2) . . . . ?
C12 C7 C8 C9 0.5(4) . . . . ?
P1 C7 C8 C9 173.1(2) . . . . ?
C21 C22 C23 C24 1.6(4) . . . . ?
C19 C24 C23 C22 1.8(4) . . . . ?
C2 C3 C4 Co1 62.07(19) . . . . ?
C1 Co1 C4 C3 -136.90(16) . . . . ?
C2 Co1 C4 C3 -35.35(16) . . . . ?
P1 Co1 C4 C3 23.4(2) . . . . ?
P2 Co1 C4 C3 118.03(14) . . . . ?
C27 C28 C29 C30 0.0(4) . . . . ?
C25 C30 C29 C28 -0.7(4) . . . . ?
P1 C5 C6 P2 -37.7(2) . . . . ?
C25 P2 C6 C5 -178.36(16) . . . . ?
C19 P2 C6 C5 -72.09(18) . . . . ?
Co1 P2 C6 C5 52.61(17) . . . . ?
C11 C10 C9 C8 -1.4(4) . . . . ?
C7 C8 C9 C10 0.9(4) . . . . ?
C4 C3 C2 Co1 -61.99(19) . . . . ?
C1 Co1 C2 C3 133.17(16) . . . . ?
C4 Co1 C2 C3 35.46(16) . . . . ?
P1 Co1 C2 C3 -117.71(14) . . . . ?
P2 Co1 C2 C3 -34.3(2) . . . . ?
C25 C26 C27 C28 -0.2(4) . . . . ?
C29 C28 C27 C26 0.5(4) . . . . ?
C21 C20 C19 C24 1.5(3) . . . . ?
C21 C20 C19 P2 -171.62(19) . . . . ?
C23 C24 C19 C20 -3.3(3) . . . . ?
C23 C24 C19 P2 169.35(18) . . . . ?
C25 P2 C19 C20 -91.0(2) . . . . ?
C6 P2 C19 C20 159.96(18) . . . . ?
Co1 P2 C19 C20 45.0(2) . . . . ?
C25 P2 C19 C24 96.3(2) . . . . ?
C6 P2 C19 C24 -12.7(2) . . . . ?
Co1 P2 C19 C24 -127.64(18) . . . . ?
