#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:38:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179339 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/36/4323680.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_4323680
loop_
_publ_author_name
'Katja Heinze'
'Gottfried Huttner'
'Laszlo Zsolnai'
'Peter Schober'
_publ_section_title
;
 Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos:
 Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5457
_journal_page_last               5469
_journal_paper_doi               10.1021/ic9705352
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C27 H26 Cl2 Co P2'
_chemical_formula_weight         542.25
_chemical_name_common            'compound 4'
_chemical_name_systematic
;
       
 ?
       
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 89.390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.075(2)
_cell_length_b                   11.129(3)
_cell_length_c                   15.249(2)
_cell_measurement_temperature    200(2)
_cell_volume                     2558.2(8)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4685
_diffrn_reflns_theta_max         25.19
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.018
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.475
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.089
_refine_ls_goodness_of_fit_obs   1.133
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         4501
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_restrained_S_obs      1.133
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_obs          0.0525
_refine_ls_shift/esd_max         -0.003
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0706P)²+3.1582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1380
_refine_ls_wR_factor_obs         0.1278
_reflns_number_observed          3682
_reflns_number_total             4502
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9705352_03.cif
_cod_data_source_block           kadi
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+3.1582P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0706P)^2^+3.1582P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4323680
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Co1 Co 0.78265(3) 0.05577(5) 0.18955(3) 0.0260(2) Uani 1 d . .
Cl1 Cl 0.88078(8) -0.08905(10) 0.21812(7) 0.0429(3) Uani 1 d . .
Cl2 Cl 0.69859(9) 0.03810(12) 0.07189(7) 0.0510(3) Uani 1 d . .
P1 P 0.87033(7) 0.23030(10) 0.19599(7) 0.0285(3) Uani 1 d . .
P2 P 0.71454(6) 0.08224(9) 0.32598(6) 0.0237(2) Uani 1 d . .
C1 C 0.9214(3) 0.2284(4) 0.3052(2) 0.0303(9) Uani 1 d . .
H1A H 0.9524(3) 0.1528(4) 0.3128(2) 0.038(5) Uiso 1 calc R .
H1B H 0.9649(3) 0.2924(4) 0.3082(2) 0.038(5) Uiso 1 calc R .
C2 C 0.8546(3) 0.2438(4) 0.3801(2) 0.0319(9) Uani 1 d . .
H2A H 0.8131(3) 0.3067(4) 0.3644(2) 0.038(5) Uiso 1 calc R .
H2B H 0.8860(3) 0.2703(4) 0.4318(2) 0.038(5) Uiso 1 calc R .
C3 C 0.8017(3) 0.1300(4) 0.4034(2) 0.0294(9) Uani 1 d . .
H3A H 0.7739(3) 0.1424(4) 0.4604(2) 0.038(5) Uiso 1 calc R .
H3B H 0.8434(3) 0.0643(4) 0.4095(2) 0.038(5) Uiso 1 calc R .
C6 C 0.9894(3) 0.3411(4) 0.0787(3) 0.0436(11) Uani 1 d . .
H6 H 0.9627(3) 0.4137(4) 0.0935(3) 0.051(3) Uiso 1 calc R .
C7 C 1.0568(3) 0.3379(5) 0.0167(3) 0.0475(12) Uani 1 d . .
H7 H 1.0750(3) 0.4087(5) -0.0105(3) 0.051(3) Uiso 1 calc R .
C8 C 1.0970(3) 0.2322(5) -0.0052(3) 0.0490(13) Uani 1 d . .
H8 H 1.1420(3) 0.2306(5) -0.0474(3) 0.051(3) Uiso 1 calc R .
C9 C 1.0708(4) 0.1291(5) 0.0352(4) 0.062(2) Uani 1 d . .
H9 H 1.0988(4) 0.0570(5) 0.0212(4) 0.051(3) Uiso 1 calc R .
C10 C 1.0034(3) 0.1304(5) 0.0965(3) 0.0557(14) Uani 1 d . .
H10 H 0.9857(3) 0.0591(5) 0.1232(3) 0.051(3) Uiso 1 calc R .
C11 C 0.9620(3) 0.2360(4) 0.1185(2) 0.0321(9) Uani 1 d . .
C12 C 0.7322(3) 0.3814(5) 0.1494(3) 0.0432(11) Uani 1 d . .
H12 H 0.7047(3) 0.3124(5) 0.1286(3) 0.051(3) Uiso 1 calc R .
C13 C 0.6902(4) 0.4922(6) 0.1422(4) 0.064(2) Uani 1 d . .
H13 H 0.6346(4) 0.4968(6) 0.1166(4) 0.051(3) Uiso 1 calc R .
C14 C 0.7300(4) 0.5950(5) 0.1725(4) 0.063(2) Uani 1 d . .
H14 H 0.7021(4) 0.6689(5) 0.1658(4) 0.051(3) Uiso 1 calc R .
C15 C 0.8129(4) 0.5883(5) 0.2138(4) 0.0566(14) Uani 1 d . .
H15 H 0.8393(4) 0.6575(5) 0.2358(4) 0.051(3) Uiso 1 calc R .
C16 C 0.8552(3) 0.4784(4) 0.2215(3) 0.0445(11) Uani 1 d . .
H16 H 0.9099(3) 0.4738(4) 0.2489(3) 0.051(3) Uiso 1 calc R .
C17 C 0.8158(3) 0.3740(4) 0.1880(3) 0.0317(9) Uani 1 d . .
C18 C 0.5597(3) 0.1850(4) 0.2671(3) 0.0368(10) Uani 1 d . .
H18 H 0.5622(3) 0.1249(4) 0.2248(3) 0.051(3) Uiso 1 calc R .
C19 C 0.4893(3) 0.2645(5) 0.2678(3) 0.0476(12) Uani 1 d . .
H19 H 0.4436(3) 0.2565(5) 0.2277(3) 0.051(3) Uiso 1 calc R .
C20 C 0.4877(3) 0.3565(4) 0.3291(3) 0.0471(12) Uani 1 d . .
H20 H 0.4409(3) 0.4109(4) 0.3299(3) 0.051(3) Uiso 1 calc R .
C21 C 0.5555(3) 0.3678(4) 0.3890(3) 0.0450(12) Uani 1 d . .
H21 H 0.5543(3) 0.4308(4) 0.4290(3) 0.051(3) Uiso 1 calc R .
C22 C 0.6253(3) 0.2863(4) 0.3902(3) 0.0345(10) Uani 1 d . .
H22 H 0.6701(3) 0.2935(4) 0.4314(3) 0.051(3) Uiso 1 calc R .
C23 C 0.6273(3) 0.1934(3) 0.3287(2) 0.0271(8) Uani 1 d . .
C24 C 0.7195(3) -0.1547(4) 0.3818(3) 0.0358(10) Uani 1 d . .
H24 H 0.7760(3) -0.1549(4) 0.3568(3) 0.051(3) Uiso 1 calc R .
C25 C 0.6877(3) -0.2581(4) 0.4220(3) 0.0414(11) Uani 1 d . .
H25 H 0.7224(3) -0.3272(4) 0.4235(3) 0.051(3) Uiso 1 calc R .
C26 C 0.6056(3) -0.2576(4) 0.4589(3) 0.0440(11) Uani 1 d . .
H26 H 0.5848(3) -0.3255(4) 0.4882(3) 0.051(3) Uiso 1 calc R .
C27 C 0.5526(3) -0.1570(4) 0.4531(3) 0.0477(12) Uani 1 d . .
H27 H 0.4952(3) -0.1592(4) 0.4761(3) 0.051(3) Uiso 1 calc R .
C28 C 0.5835(3) -0.0527(4) 0.4137(3) 0.0387(10) Uani 1 d . .
H28 H 0.5477(3) 0.0152(4) 0.4110(3) 0.051(3) Uiso 1 calc R .
C29 C 0.6687(3) -0.0511(3) 0.3783(2) 0.0268(8) Uani 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'
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'
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
Cl2 Co1 Cl1 118.65(5) . . ?
Cl2 Co1 P2 118.95(5) . . ?
Cl1 Co1 P2 101.75(4) . . ?
Cl2 Co1 P1 115.69(5) . . ?
Cl1 Co1 P1 102.36(5) . . ?
P2 Co1 P1 95.79(4) . . ?
C17 P1 C11 105.7(2) . . ?
C17 P1 C1 105.4(2) . . ?
C11 P1 C1 105.5(2) . . ?
C17 P1 Co1 118.22(14) . . ?
C11 P1 Co1 115.31(15) . . ?
C1 P1 Co1 105.57(13) . . ?
C23 P2 C29 106.0(2) . . ?
C23 P2 C3 108.0(2) . . ?
C29 P2 C3 102.9(2) . . ?
C23 P2 Co1 114.93(13) . . ?
C29 P2 Co1 116.77(13) . . ?
C3 P2 Co1 107.26(13) . . ?
C2 C1 P1 113.4(3) . . ?
C2 C1 H1A 108.9(2) . . ?
P1 C1 H1A 108.90(14) . . ?
C2 C1 H1B 108.9(2) . . ?
P1 C1 H1B 108.90(13) . . ?
H1A C1 H1B 107.7 . . ?
C1 C2 C3 114.7(3) . . ?
C1 C2 H2A 108.6(2) . . ?
C3 C2 H2A 108.6(2) . . ?
C1 C2 H2B 108.6(2) . . ?
C3 C2 H2B 108.6(2) . . ?
H2A C2 H2B 107.6 . . ?
C2 C3 P2 117.3(3) . . ?
C2 C3 H3A 108.0(2) . . ?
P2 C3 H3A 107.98(12) . . ?
C2 C3 H3B 108.0(2) . . ?
P2 C3 H3B 107.98(13) . . ?
H3A C3 H3B 107.2 . . ?
C7 C6 C11 119.7(5) . . ?
C7 C6 H6 120.2(3) . . ?
C11 C6 H6 120.2(3) . . ?
C8 C7 C6 120.7(5) . . ?
C8 C7 H7 119.6(3) . . ?
C6 C7 H7 119.6(3) . . ?
C9 C8 C7 119.4(4) . . ?
C9 C8 H8 120.3(3) . . ?
C7 C8 H8 120.3(3) . . ?
C8 C9 C10 120.6(5) . . ?
C8 C9 H9 119.7(3) . . ?
C10 C9 H9 119.7(3) . . ?
C9 C10 C11 120.6(5) . . ?
C9 C10 H10 119.7(3) . . ?
C11 C10 H10 119.7(3) . . ?
C10 C11 C6 119.0(4) . . ?
C10 C11 P1 118.2(3) . . ?
C6 C11 P1 122.8(3) . . ?
C13 C12 C17 119.9(5) . . ?
C13 C12 H12 120.0(4) . . ?
C17 C12 H12 120.0(3) . . ?
C14 C13 C12 120.7(5) . . ?
C14 C13 H13 119.7(3) . . ?
C12 C13 H13 119.7(4) . . ?
C13 C14 C15 120.0(5) . . ?
C13 C14 H14 120.0(3) . . ?
C15 C14 H14 120.0(3) . . ?
C16 C15 C14 119.7(5) . . ?
C16 C15 H15 120.1(3) . . ?
C14 C15 H15 120.1(3) . . ?
C15 C16 C17 120.3(5) . . ?
C15 C16 H16 119.9(3) . . ?
C17 C16 H16 119.9(3) . . ?
C12 C17 C16 119.4(4) . . ?
C12 C17 P1 119.6(3) . . ?
C16 C17 P1 121.0(3) . . ?
C19 C18 C23 121.2(4) . . ?
C19 C18 H18 119.4(3) . . ?
C23 C18 H18 119.4(2) . . ?
C18 C19 C20 119.1(5) . . ?
C18 C19 H19 120.5(3) . . ?
C20 C19 H19 120.5(3) . . ?
C21 C20 C19 120.3(4) . . ?
C21 C20 H20 119.8(3) . . ?
C19 C20 H20 119.8(3) . . ?
C20 C21 C22 121.0(4) . . ?
C20 C21 H21 119.5(3) . . ?
C22 C21 H21 119.5(3) . . ?
C21 C22 C23 119.0(4) . . ?
C21 C22 H22 120.5(3) . . ?
C23 C22 H22 120.5(2) . . ?
C22 C23 C18 119.5(4) . . ?
C22 C23 P2 122.2(3) . . ?
C18 C23 P2 118.3(3) . . ?
C29 C24 C25 121.3(4) . . ?
C29 C24 H24 119.4(2) . . ?
C25 C24 H24 119.4(3) . . ?
C26 C25 C24 119.4(4) . . ?
C26 C25 H25 120.3(3) . . ?
C24 C25 H25 120.3(3) . . ?
C25 C26 C27 120.3(4) . . ?
C25 C26 H26 119.8(3) . . ?
C27 C26 H26 119.8(3) . . ?
C26 C27 C28 121.0(4) . . ?
C26 C27 H27 119.5(3) . . ?
C28 C27 H27 119.5(3) . . ?
C27 C28 C29 119.0(4) . . ?
C27 C28 H28 120.5(3) . . ?
C29 C28 H28 120.5(2) . . ?
C24 C29 C28 118.9(4) . . ?
C24 C29 P2 119.3(3) . . ?
C28 C29 P2 121.8(3) . . ?
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 Cl2 2.2163(12) . ?
Co1 Cl1 2.2337(12) . ?
Co1 P2 2.3289(11) . ?
Co1 P1 2.3520(13) . ?
P1 C17 1.803(4) . ?
P1 C11 1.809(4) . ?
P1 C1 1.842(4) . ?
P2 C23 1.806(4) . ?
P2 C29 1.818(4) . ?
P2 C3 1.854(4) . ?
C1 C2 1.525(5) . ?
C1 H1A 0.97 . ?
C1 H1B 0.97 . ?
C2 C3 1.536(5) . ?
C2 H2A 0.97 . ?
C2 H2B 0.97 . ?
C3 H3A 0.97 . ?
C3 H3B 0.97 . ?
C6 C7 1.381(6) . ?
C6 C11 1.380(6) . ?
C6 H6 0.93 . ?
C7 C8 1.364(7) . ?
C7 H7 0.93 . ?
C8 C9 1.359(7) . ?
C8 H8 0.93 . ?
C9 C10 1.373(6) . ?
C9 H9 0.93 . ?
C10 C11 1.371(7) . ?
C10 H10 0.93 . ?
C12 C13 1.391(7) . ?
C12 C17 1.399(6) . ?
C12 H12 0.93 . ?
C13 C14 1.374(9) . ?
C13 H13 0.93 . ?
C14 C15 1.408(9) . ?
C14 H14 0.93 . ?
C15 C16 1.385(7) . ?
C15 H15 0.93 . ?
C16 C17 1.403(6) . ?
C16 H16 0.93 . ?
C18 C19 1.382(6) . ?
C18 C23 1.397(6) . ?
C18 H18 0.93 . ?
C19 C20 1.386(7) . ?
C19 H19 0.93 . ?
C20 C21 1.384(7) . ?
C20 H20 0.93 . ?
C21 C22 1.390(6) . ?
C21 H21 0.93 . ?
C22 C23 1.395(6) . ?
C22 H22 0.93 . ?
C24 C29 1.385(6) . ?
C24 C25 1.387(6) . ?
C24 H24 0.93 . ?
C25 C26 1.354(6) . ?
C25 H25 0.93 . ?
C26 C27 1.379(7) . ?
C26 H26 0.93 . ?
C27 C28 1.386(6) . ?
C27 H27 0.93 . ?
C28 C29 1.388(6) . ?
C28 H28 0.93 . ?
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
Cl2 Co1 P1 C17 55.9(2) . . . . ?
Cl1 Co1 P1 C17 -173.61(15) . . . . ?
P2 Co1 P1 C17 -70.20(15) . . . . ?
Cl2 Co1 P1 C11 -70.5(2) . . . . ?
Cl1 Co1 P1 C11 60.0(2) . . . . ?
P2 Co1 P1 C11 163.40(15) . . . . ?
Cl2 Co1 P1 C1 173.45(14) . . . . ?
Cl1 Co1 P1 C1 -56.00(14) . . . . ?
P2 Co1 P1 C1 47.40(14) . . . . ?
Cl2 Co1 P2 C23 -46.4(2) . . . . ?
Cl1 Co1 P2 C23 -178.85(15) . . . . ?
P1 Co1 P2 C23 77.21(15) . . . . ?
Cl2 Co1 P2 C29 78.7(2) . . . . ?
Cl1 Co1 P2 C29 -53.7(2) . . . . ?
P1 Co1 P2 C29 -157.68(15) . . . . ?
Cl2 Co1 P2 C3 -166.56(14) . . . . ?
Cl1 Co1 P2 C3 61.02(15) . . . . ?
P1 Co1 P2 C3 -42.92(14) . . . . ?
C17 P1 C1 C2 59.2(3) . . . . ?
C11 P1 C1 C2 170.8(3) . . . . ?
Co1 P1 C1 C2 -66.7(3) . . . . ?
P1 C1 C2 C3 78.4(4) . . . . ?
C1 C2 C3 P2 -73.2(4) . . . . ?
C23 P2 C3 C2 -67.4(3) . . . . ?
C29 P2 C3 C2 -179.2(3) . . . . ?
Co1 P2 C3 C2 57.1(3) . . . . ?
C11 C6 C7 C8 -0.5(7) . . . . ?
C6 C7 C8 C9 -0.6(8) . . . . ?
C7 C8 C9 C10 1.1(9) . . . . ?
C8 C9 C10 C11 -0.6(9) . . . . ?
C9 C10 C11 C6 -0.4(8) . . . . ?
C9 C10 C11 P1 177.2(5) . . . . ?
C7 C6 C11 C10 1.0(7) . . . . ?
C7 C6 C11 P1 -176.6(4) . . . . ?
C17 P1 C11 C10 -165.9(4) . . . . ?
C1 P1 C11 C10 82.7(4) . . . . ?
Co1 P1 C11 C10 -33.4(4) . . . . ?
C17 P1 C11 C6 11.6(4) . . . . ?
C1 P1 C11 C6 -99.8(4) . . . . ?
Co1 P1 C11 C6 144.2(3) . . . . ?
C17 C12 C13 C14 0.1(8) . . . . ?
C12 C13 C14 C15 -1.9(8) . . . . ?
C13 C14 C15 C16 1.7(8) . . . . ?
C14 C15 C16 C17 0.2(7) . . . . ?
C13 C12 C17 C16 1.9(7) . . . . ?
C13 C12 C17 P1 -179.3(4) . . . . ?
C15 C16 C17 C12 -2.1(6) . . . . ?
C15 C16 C17 P1 179.1(4) . . . . ?
C11 P1 C17 C12 109.2(3) . . . . ?
C1 P1 C17 C12 -139.4(3) . . . . ?
Co1 P1 C17 C12 -21.7(4) . . . . ?
C11 P1 C17 C16 -72.0(4) . . . . ?
C1 P1 C17 C16 39.4(4) . . . . ?
Co1 P1 C17 C16 157.1(3) . . . . ?
C23 C18 C19 C20 2.2(7) . . . . ?
C18 C19 C20 C21 -0.4(7) . . . . ?
C19 C20 C21 C22 -1.3(7) . . . . ?
C20 C21 C22 C23 1.2(6) . . . . ?
C21 C22 C23 C18 0.6(6) . . . . ?
C21 C22 C23 P2 -179.3(3) . . . . ?
C19 C18 C23 C22 -2.3(6) . . . . ?
C19 C18 C23 P2 177.5(3) . . . . ?
C29 P2 C23 C22 101.2(3) . . . . ?
C3 P2 C23 C22 -8.6(4) . . . . ?
Co1 P2 C23 C22 -128.3(3) . . . . ?
C29 P2 C23 C18 -78.6(3) . . . . ?
C3 P2 C23 C18 171.6(3) . . . . ?
Co1 P2 C23 C18 51.9(3) . . . . ?
C29 C24 C25 C26 -0.4(7) . . . . ?
C24 C25 C26 C27 2.9(7) . . . . ?
C25 C26 C27 C28 -3.3(8) . . . . ?
C26 C27 C28 C29 1.1(7) . . . . ?
C25 C24 C29 C28 -1.7(7) . . . . ?
C25 C24 C29 P2 179.2(3) . . . . ?
C27 C28 C29 C24 1.4(6) . . . . ?
C27 C28 C29 P2 -179.6(4) . . . . ?
C23 P2 C29 C24 176.7(3) . . . . ?
C3 P2 C29 C24 -70.0(4) . . . . ?
Co1 P2 C29 C24 47.2(4) . . . . ?
C23 P2 C29 C28 -2.3(4) . . . . ?
C3 P2 C29 C28 111.0(4) . . . . ?
Co1 P2 C29 C28 -131.8(3) . . . . ?
