#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:25:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180138 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/35/7103564.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_7103564
loop_
_publ_author_name
'Chen, Fu'
'Ma, Guibin'
'Cavell, Ronald G'
'Terskikh, Victor V'
'Wasylishen, Roderick E'
_publ_section_title
;
 Solid-state (115)In NMR study of indium coordination complexes.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5933
_journal_page_last               5935
_journal_paper_doi               10.1039/b814326a
_journal_year                    2008
_chemical_formula_sum            'C27 H33 Cl3 In O9 P'
_chemical_formula_weight         753.67
_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
_cell_angle_alpha                93.5129(14)
_cell_angle_beta                 112.0704(12)
_cell_angle_gamma                108.9252(13)
_cell_formula_units_Z            2
_cell_length_a                   10.7470(11)
_cell_length_b                   12.3980(13)
_cell_length_c                   14.0806(15)
_cell_measurement_reflns_used    7726
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.42
_cell_volume                     1608.4(3)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1997)'
_computing_data_collection       'Bruker SMART (Bruker, 1997)'
_computing_data_reduction        'Bruker SAINT (Bruker, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1997)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-96 (Beurskens et al., 1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'Bruker PLATFORM diffractometer/SMART 1000 CCD area detector'
_diffrn_measurement_method       'ω 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  0.0102
_diffrn_reflns_av_sigmaI/netI    0.0149
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14214
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.082
_exptl_absorpt_correction_T_max  0.7374
_exptl_absorpt_correction_T_min  0.5583
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Bruker SHELXTL (Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.383
_refine_diff_density_min         -0.231
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0463P)²+1.0965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0787
_refine_ls_wR_factor_ref         0.0801
_reflns_number_gt                6840
_reflns_number_total             7293
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b814326a.txt
_cod_data_source_block           2
_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               7103564
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
In In 0.204724(16) 0.296600(13) 0.180862(11) 0.03112(6) Uani 1 1 d . . .
Cl1 Cl 0.09699(7) 0.26049(5) -0.00751(4) 0.04190(13) Uani 1 1 d . . .
Cl2 Cl 0.43221(6) 0.45702(6) 0.23493(6) 0.04977(16) Uani 1 1 d . . .
Cl3 Cl 0.26536(8) 0.13187(6) 0.22511(5) 0.05188(16) Uani 1 1 d . . .
P P 0.04854(5) 0.34047(4) 0.26232(3) 0.02043(9) Uani 1 1 d . . .
O11 O -0.09646(17) 0.12459(12) 0.12422(12) 0.0331(3) Uani 1 1 d . . .
O12 O -0.53226(19) 0.16537(17) -0.09605(14) 0.0527(5) Uani 1 1 d . . .
O13 O -0.16414(16) 0.46758(13) 0.20073(11) 0.0312(3) Uani 1 1 d . . .
O21 O 0.12138(16) 0.50699(13) 0.14835(11) 0.0310(3) Uani 1 1 d . . .
O22 O 0.3323(2) 0.85428(13) 0.42106(15) 0.0459(4) Uani 1 1 d . . .
O23 O 0.12882(18) 0.47965(13) 0.47895(11) 0.0337(3) Uani 1 1 d . . .
O31 O 0.30057(15) 0.33755(13) 0.41839(12) 0.0323(3) Uani 1 1 d . . .
O32 O 0.11107(19) 0.12361(16) 0.63370(13) 0.0441(4) Uani 1 1 d . . .
O33 O -0.20070(15) 0.19709(14) 0.31604(12) 0.0367(4) Uani 1 1 d . . .
C11 C -0.13143(19) 0.29521(16) 0.16002(14) 0.0228(3) Uani 1 1 d . . .
C12 C -0.1861(2) 0.18455(17) 0.09534(15) 0.0270(4) Uani 1 1 d . . .
C13 C -0.3208(2) 0.14197(19) 0.01010(17) 0.0356(5) Uani 1 1 d . . .
H13 H -0.3558 0.0675 -0.0335 0.043 Uiso 1 1 calc R . .
C14 C -0.4029(2) 0.2115(2) -0.00960(16) 0.0348(4) Uani 1 1 d . . .
C15 C -0.3554(2) 0.31950(19) 0.05369(16) 0.0305(4) Uani 1 1 d . . .
H15 H -0.4147 0.3642 0.0401 0.037 Uiso 1 1 calc R . .
C16 C -0.2190(2) 0.36165(17) 0.13768(14) 0.0250(4) Uani 1 1 d . . .
C17 C -0.1376(3) 0.0160(2) 0.0561(2) 0.0436(5) Uani 1 1 d . . .
H17A H -0.0649 -0.0184 0.0858 0.052 Uiso 1 1 calc R . .
H17B H -0.1439 0.0300 -0.0130 0.052 Uiso 1 1 calc R . .
H17C H -0.2320 -0.0375 0.0492 0.052 Uiso 1 1 calc R . .
C18 C -0.6145(3) 0.2375(3) -0.1262(2) 0.0596(8) Uani 1 1 d . . .
H18A H -0.7063 0.1934 -0.1868 0.072 Uiso 1 1 calc R . .
H18B H -0.5595 0.3061 -0.1449 0.072 Uiso 1 1 calc R . .
H18C H -0.6341 0.2625 -0.0678 0.072 Uiso 1 1 calc R . .
C19 C -0.2367(3) 0.5465(2) 0.17146(19) 0.0370(5) Uani 1 1 d . . .
H19A H -0.1839 0.6193 0.2245 0.044 Uiso 1 1 calc R . .
H19B H -0.3354 0.5115 0.1664 0.044 Uiso 1 1 calc R . .
H19C H -0.2404 0.5630 0.1034 0.044 Uiso 1 1 calc R . .
C21 C 0.12677(19) 0.49518(15) 0.31335(14) 0.0224(3) Uani 1 1 d . . .
C22 C 0.1614(2) 0.56619(17) 0.24626(15) 0.0257(4) Uani 1 1 d . . .
C23 C 0.2299(2) 0.68682(18) 0.27777(17) 0.0322(4) Uani 1 1 d . . .
H23 H 0.2526 0.7334 0.2310 0.039 Uiso 1 1 calc R . .
C24 C 0.2641(2) 0.73705(17) 0.37969(18) 0.0323(4) Uani 1 1 d . . .
C25 C 0.2316(2) 0.67002(17) 0.44929(16) 0.0295(4) Uani 1 1 d . . .
H25 H 0.2559 0.7062 0.5187 0.035 Uiso 1 1 calc R . .
C26 C 0.1635(2) 0.55006(16) 0.41615(15) 0.0251(4) Uani 1 1 d . . .
C27 C 0.1751(3) 0.5709(2) 0.08077(18) 0.0391(5) Uani 1 1 d . . .
H27A H 0.1405 0.5186 0.0135 0.047 Uiso 1 1 calc R . .
H27B H 0.2813 0.6027 0.1137 0.047 Uiso 1 1 calc R . .
H27C H 0.1401 0.6349 0.0692 0.047 Uiso 1 1 calc R . .
C28 C 0.3754(4) 0.9271(2) 0.3554(3) 0.0659(9) Uani 1 1 d . . .
H28A H 0.4220 1.0087 0.3930 0.079 Uiso 1 1 calc R . .
H28B H 0.2900 0.9179 0.2917 0.079 Uiso 1 1 calc R . .
H28C H 0.4438 0.9048 0.3363 0.079 Uiso 1 1 calc R . .
C29 C 0.1864(3) 0.5258(2) 0.58866(16) 0.0401(5) Uani 1 1 d . . .
H29A H 0.1522 0.4639 0.6234 0.048 Uiso 1 1 calc R . .
H29B H 0.1540 0.5889 0.5997 0.048 Uiso 1 1 calc R . .
H29C H 0.2925 0.5562 0.6181 0.048 Uiso 1 1 calc R . .
C31 C 0.0510(2) 0.26306(15) 0.36671(14) 0.0224(3) Uani 1 1 d . . .
C32 C 0.1888(2) 0.27286(16) 0.43982(15) 0.0260(4) Uani 1 1 d . . .
C33 C 0.2064(2) 0.22424(19) 0.52744(16) 0.0319(4) Uani 1 1 d . . .
H33 H 0.2998 0.2308 0.5754 0.038 Uiso 1 1 calc R . .
C34 C 0.0839(2) 0.16546(18) 0.54377(16) 0.0317(4) Uani 1 1 d . . .
C35 C -0.0543(2) 0.15190(18) 0.47302(16) 0.0292(4) Uani 1 1 d . . .
H35 H -0.1369 0.1098 0.4844 0.035 Uiso 1 1 calc R . .
C36 C -0.0692(2) 0.20142(16) 0.38501(15) 0.0253(4) Uani 1 1 d . . .
C37 C 0.4427(2) 0.3408(2) 0.4806(2) 0.0434(5) Uani 1 1 d . . .
H37A H 0.5114 0.3884 0.4553 0.052 Uiso 1 1 calc R . .
H37B H 0.4420 0.2614 0.4750 0.052 Uiso 1 1 calc R . .
H37C H 0.4721 0.3748 0.5540 0.052 Uiso 1 1 calc R . .
C38 C -0.0074(3) 0.0718(3) 0.6612(2) 0.0482(6) Uani 1 1 d . . .
H38A H 0.0286 0.0505 0.7294 0.058 Uiso 1 1 calc R . .
H38B H -0.0788 0.0019 0.6079 0.058 Uiso 1 1 calc R . .
H38C H -0.0530 0.1278 0.6652 0.058 Uiso 1 1 calc R . .
C39 C -0.3266(3) 0.1000(2) 0.3006(2) 0.0490(6) Uani 1 1 d . . .
H39A H -0.4126 0.1098 0.2504 0.059 Uiso 1 1 calc R . .
H39B H -0.3342 0.0948 0.3676 0.059 Uiso 1 1 calc R . .
H39C H -0.3200 0.0284 0.2733 0.059 Uiso 1 1 calc R . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
Cl3 In Cl2 105.52(3) . . ?
Cl3 In Cl1 105.76(2) . . ?
Cl2 In Cl1 105.31(2) . . ?
Cl3 In P 114.28(2) . . ?
Cl2 In P 111.59(2) . . ?
Cl1 In P 113.61(2) . . ?
C21 P C11 111.97(8) . . ?
C21 P C31 110.23(8) . . ?
C11 P C31 111.36(8) . . ?
C21 P In 106.41(6) . . ?
C11 P In 107.10(6) . . ?
C31 P In 109.58(6) . . ?
C12 O11 C17 117.50(17) . . ?
C14 O12 C18 117.4(2) . . ?
C16 O13 C19 119.07(16) . . ?
C22 O21 C27 117.32(16) . . ?
C24 O22 C28 116.9(2) . . ?
C26 O23 C29 119.35(17) . . ?
C32 O31 C37 118.34(16) . . ?
C34 O32 C38 118.22(18) . . ?
C36 O33 C39 118.76(17) . . ?
C16 C11 C12 117.87(17) . . ?
C16 C11 P 125.85(14) . . ?
C12 C11 P 116.26(14) . . ?
O11 C12 C13 124.04(18) . . ?
O11 C12 C11 114.10(17) . . ?
C13 C12 C11 121.86(19) . . ?
C12 C13 C14 118.16(19) . . ?
O12 C14 C15 123.1(2) . . ?
O12 C14 C13 114.9(2) . . ?
C15 C14 C13 122.00(19) . . ?
C14 C15 C16 119.01(19) . . ?
O13 C16 C15 122.13(18) . . ?
O13 C16 C11 116.81(17) . . ?
C15 C16 C11 121.06(18) . . ?
C22 C21 C26 117.68(17) . . ?
C22 C21 P 116.46(14) . . ?
C26 C21 P 125.75(14) . . ?
O21 C22 C23 123.44(17) . . ?
O21 C22 C21 114.16(16) . . ?
C23 C22 C21 122.40(18) . . ?
C24 C23 C22 117.93(18) . . ?
O22 C24 C23 124.0(2) . . ?
O22 C24 C25 114.2(2) . . ?
C23 C24 C25 121.77(18) . . ?
C26 C25 C24 119.24(19) . . ?
O23 C26 C25 122.61(18) . . ?
O23 C26 C21 116.41(16) . . ?
C25 C26 C21 120.98(18) . . ?
C36 C31 C32 117.82(16) . . ?
C36 C31 P 125.94(14) . . ?
C32 C31 P 116.11(14) . . ?
O31 C32 C33 123.92(18) . . ?
O31 C32 C31 114.22(16) . . ?
C33 C32 C31 121.81(18) . . ?
C32 C33 C34 118.50(18) . . ?
O32 C34 C35 123.46(19) . . ?
O32 C34 C33 114.81(19) . . ?
C35 C34 C33 121.73(18) . . ?
C34 C35 C36 118.63(18) . . ?
O33 C36 C35 121.43(17) . . ?
O33 C36 C31 117.01(16) . . ?
C35 C36 C31 121.48(17) . . ?
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
In Cl3 2.3870(6) . ?
In Cl2 2.4029(6) . ?
In Cl1 2.4056(6) . ?
In P 2.5281(5) . ?
P C21 1.7981(18) . ?
P C11 1.7983(18) . ?
P C31 1.8007(18) . ?
O11 C12 1.362(2) . ?
O11 C17 1.436(3) . ?
O12 C14 1.367(2) . ?
O12 C18 1.428(4) . ?
O13 C16 1.350(2) . ?
O13 C19 1.428(2) . ?
O21 C22 1.360(2) . ?
O21 C27 1.441(2) . ?
O22 C24 1.369(2) . ?
O22 C28 1.428(3) . ?
O23 C26 1.347(2) . ?
O23 C29 1.428(2) . ?
O31 C32 1.362(2) . ?
O31 C37 1.433(2) . ?
O32 C34 1.363(2) . ?
O32 C38 1.433(3) . ?
O33 C36 1.363(2) . ?
O33 C39 1.421(3) . ?
C11 C16 1.405(3) . ?
C11 C12 1.407(3) . ?
C12 C13 1.391(3) . ?
C13 C14 1.392(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.395(3) . ?
C21 C22 1.400(3) . ?
C21 C26 1.411(3) . ?
C22 C23 1.391(3) . ?
C23 C24 1.389(3) . ?
C24 C25 1.393(3) . ?
C25 C26 1.385(3) . ?
C31 C36 1.398(3) . ?
C31 C32 1.410(3) . ?
C32 C33 1.382(3) . ?
C33 C34 1.394(3) . ?
C34 C35 1.390(3) . ?
C35 C36 1.395(3) . ?
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
Cl3 In P C21 134.44(6) . . . . ?
Cl2 In P C21 14.82(7) . . . . ?
Cl1 In P C21 -104.06(6) . . . . ?
Cl3 In P C11 -105.64(7) . . . . ?
Cl2 In P C11 134.73(6) . . . . ?
Cl1 In P C11 15.85(7) . . . . ?
Cl3 In P C31 15.28(7) . . . . ?
Cl2 In P C31 -104.35(7) . . . . ?
Cl1 In P C31 136.77(7) . . . . ?
C21 P C11 C16 -15.35(19) . . . . ?
C31 P C11 C16 108.57(17) . . . . ?
In P C11 C16 -131.64(15) . . . . ?
C21 P C11 C12 162.64(14) . . . . ?
C31 P C11 C12 -73.43(16) . . . . ?
In P C11 C12 46.36(15) . . . . ?
C17 O11 C12 C13 6.5(3) . . . . ?
C17 O11 C12 C11 -173.79(18) . . . . ?
C16 C11 C12 O11 -178.14(16) . . . . ?
P C11 C12 O11 3.7(2) . . . . ?
C16 C11 C12 C13 1.6(3) . . . . ?
P C11 C12 C13 -176.60(16) . . . . ?
O11 C12 C13 C14 178.81(19) . . . . ?
C11 C12 C13 C14 -0.9(3) . . . . ?
C18 O12 C14 C15 5.6(4) . . . . ?
C18 O12 C14 C13 -173.9(2) . . . . ?
C12 C13 C14 O12 178.4(2) . . . . ?
C12 C13 C14 C15 -1.1(3) . . . . ?
O12 C14 C15 C16 -177.2(2) . . . . ?
C13 C14 C15 C16 2.2(3) . . . . ?
C19 O13 C16 C15 -10.2(3) . . . . ?
C19 O13 C16 C11 169.39(17) . . . . ?
C14 C15 C16 O13 178.08(18) . . . . ?
C14 C15 C16 C11 -1.5(3) . . . . ?
C12 C11 C16 O13 -179.94(16) . . . . ?
P C11 C16 O13 -2.0(2) . . . . ?
C12 C11 C16 C15 -0.4(3) . . . . ?
P C11 C16 C15 177.59(15) . . . . ?
C11 P C21 C22 -69.05(16) . . . . ?
C31 P C21 C22 166.40(14) . . . . ?
In P C21 C22 47.66(15) . . . . ?
C11 P C21 C26 114.82(17) . . . . ?
C31 P C21 C26 -9.73(19) . . . . ?
In P C21 C26 -128.47(15) . . . . ?
C27 O21 C22 C23 10.9(3) . . . . ?
C27 O21 C22 C21 -169.48(18) . . . . ?
C26 C21 C22 O21 -179.44(16) . . . . ?
P C21 C22 O21 4.1(2) . . . . ?
C26 C21 C22 C23 0.2(3) . . . . ?
P C21 C22 C23 -176.25(16) . . . . ?
O21 C22 C23 C24 179.45(19) . . . . ?
C21 C22 C23 C24 -0.2(3) . . . . ?
C28 O22 C24 C23 -2.8(4) . . . . ?
C28 O22 C24 C25 176.8(2) . . . . ?
C22 C23 C24 O22 179.6(2) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
O22 C24 C25 C26 -179.52(19) . . . . ?
C23 C24 C25 C26 0.1(3) . . . . ?
C29 O23 C26 C25 -11.7(3) . . . . ?
C29 O23 C26 C21 168.18(18) . . . . ?
C24 C25 C26 O23 179.93(19) . . . . ?
C24 C25 C26 C21 0.0(3) . . . . ?
C22 C21 C26 O23 179.94(17) . . . . ?
P C21 C26 O23 -4.0(3) . . . . ?
C22 C21 C26 C25 -0.1(3) . . . . ?
P C21 C26 C25 175.96(15) . . . . ?
C21 P C31 C36 107.50(17) . . . . ?
C11 P C31 C36 -17.4(2) . . . . ?
In P C31 C36 -135.72(15) . . . . ?
C21 P C31 C32 -68.08(16) . . . . ?
C11 P C31 C32 167.01(14) . . . . ?
In P C31 C32 48.70(16) . . . . ?
C37 O31 C32 C33 10.2(3) . . . . ?
C37 O31 C32 C31 -172.46(19) . . . . ?
C36 C31 C32 O31 -177.82(17) . . . . ?
P C31 C32 O31 -1.9(2) . . . . ?
C36 C31 C32 C33 -0.4(3) . . . . ?
P C31 C32 C33 175.56(16) . . . . ?
O31 C32 C33 C34 176.33(19) . . . . ?
C31 C32 C33 C34 -0.8(3) . . . . ?
C38 O32 C34 C35 -5.6(3) . . . . ?
C38 O32 C34 C33 174.2(2) . . . . ?
C32 C33 C34 O32 -177.9(2) . . . . ?
C32 C33 C34 C35 1.9(3) . . . . ?
O32 C34 C35 C36 178.0(2) . . . . ?
C33 C34 C35 C36 -1.7(3) . . . . ?
C39 O33 C36 C35 -31.0(3) . . . . ?
C39 O33 C36 C31 152.3(2) . . . . ?
C34 C35 C36 O33 -176.10(19) . . . . ?
C34 C35 C36 C31 0.4(3) . . . . ?
C32 C31 C36 O33 177.26(17) . . . . ?
P C31 C36 O33 1.8(3) . . . . ?
C32 C31 C36 C35 0.6(3) . . . . ?
P C31 C36 C35 -174.89(15) . . . . ?
