#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:31:00 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179688 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/10/7001021.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_7001021
loop_
_publ_author_name
'Gómez-Ruiz, Santiago'
'Gallego, Beatriz'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Platinum(II) tetramesityltetraphosphane-1,4-diides
;
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              2915
_journal_page_last               2920
_journal_paper_doi               10.1039/b822675j
_journal_year                    2009
_chemical_formula_sum            'C56 H68 P4 Pt'
_chemical_formula_weight         1060.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-08-03T12:06:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.319(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.960(4)
_cell_length_b                   11.376(2)
_cell_length_c                   26.197(6)
_cell_measurement_reflns_used    13086
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.4524
_cell_measurement_theta_min      2.5491
_cell_volume                     5040.0(19)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       'ω scans and φ scans'
_diffrn_orient_matrix_UB_11      -0.0017736434
_diffrn_orient_matrix_UB_12      -0.0570370529
_diffrn_orient_matrix_UB_13      -0.011294726
_diffrn_orient_matrix_UB_21      -0.0410193481
_diffrn_orient_matrix_UB_22      -0.0038844449
_diffrn_orient_matrix_UB_23      0.004357386
_diffrn_orient_matrix_UB_31      -0.0100713415
_diffrn_orient_matrix_UB_32      0.0256877806
_diffrn_orient_matrix_UB_33      -0.0244190459
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0961
_diffrn_reflns_av_unetI/netI     0.0658
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            53039
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    2.947
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.755
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         4961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.048
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0441P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                3881
_reflns_number_total             4961
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822675j.txt
_cod_data_source_block           c2c
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7001021
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_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
Pt1 Pt 0 0.30760(2) 0.25 0.02218(10) Uani 1 2 d S . .
P1 P 0.08109(7) 0.45160(10) 0.28922(4) 0.0213(3) Uani 1 1 d . . .
P2 P 0.01003(7) 0.61539(10) 0.29225(4) 0.0213(3) Uani 1 1 d . . .
C1 C 0.0960(3) 0.4214(4) 0.35920(17) 0.0230(10) Uani 1 1 d . . .
C2 C 0.0340(3) 0.4039(4) 0.39196(17) 0.0261(11) Uani 1 1 d . . .
C3 C 0.0535(3) 0.3834(4) 0.44386(18) 0.0328(12) Uani 1 1 d . . .
H3 H 0.0118 0.3738 0.4658 0.039 Uiso 1 1 calc R . .
C4 C 0.1304(3) 0.3762(4) 0.46487(19) 0.0362(13) Uani 1 1 d . . .
C5 C 0.1901(3) 0.3930(4) 0.43244(19) 0.0333(12) Uani 1 1 d . . .
H5 H 0.2435 0.3874 0.446 0.04 Uiso 1 1 calc R . .
C6 C 0.1747(3) 0.4178(4) 0.38041(18) 0.0270(11) Uani 1 1 d . . .
C7 C -0.0526(3) 0.4059(5) 0.37345(19) 0.0337(12) Uani 1 1 d . . .
H7A H -0.0841 0.3753 0.4004 0.051 Uiso 1 1 calc R . .
H7B H -0.0611 0.3569 0.3428 0.051 Uiso 1 1 calc R . .
H7C H -0.0688 0.4869 0.3652 0.051 Uiso 1 1 calc R . .
C8 C 0.1483(4) 0.3513(5) 0.5217(2) 0.0517(16) Uani 1 1 d . . .
H8A H 0.1228 0.4111 0.5418 0.078 Uiso 1 1 calc R . .
H8B H 0.2056 0.3535 0.5301 0.078 Uiso 1 1 calc R . .
H8C H 0.128 0.2734 0.5299 0.078 Uiso 1 1 calc R . .
C9 C 0.2450(3) 0.4430(5) 0.3498(2) 0.0397(13) Uani 1 1 d . . .
H9A H 0.2939 0.424 0.3705 0.06 Uiso 1 1 calc R . .
H9B H 0.2452 0.5264 0.3405 0.06 Uiso 1 1 calc R . .
H9C H 0.2415 0.3949 0.3187 0.06 Uiso 1 1 calc R . .
C10 C 0.0850(3) 0.7320(4) 0.30961(18) 0.0248(11) Uani 1 1 d . . .
C11 C 0.0673(3) 0.7998(4) 0.35236(17) 0.0255(10) Uani 1 1 d . . .
C12 C 0.1166(3) 0.8917(4) 0.36844(19) 0.0328(12) Uani 1 1 d . . .
H12 H 0.1033 0.9374 0.3969 0.039 Uiso 1 1 calc R . .
C13 C 0.1849(3) 0.9201(4) 0.34478(18) 0.0304(12) Uani 1 1 d . . .
C14 C 0.2029(3) 0.8511(4) 0.30364(19) 0.0302(11) Uani 1 1 d . . .
H14 H 0.2498 0.8676 0.2873 0.036 Uiso 1 1 calc R . .
C15 C 0.1545(3) 0.7575(4) 0.28505(18) 0.0251(10) Uani 1 1 d . . .
C16 C -0.0037(3) 0.7754(5) 0.3831(2) 0.0425(14) Uani 1 1 d . . .
H16A H -0.0043 0.8318 0.4113 0.064 Uiso 1 1 calc R . .
H16B H 0 0.6954 0.3969 0.064 Uiso 1 1 calc R . .
H16C H -0.0524 0.7835 0.3608 0.064 Uiso 1 1 calc R . .
C17 C 0.2366(3) 1.0203(5) 0.3635(2) 0.0450(14) Uani 1 1 d . . .
H17A H 0.2047 1.0918 0.3652 0.067 Uiso 1 1 calc R . .
H17B H 0.278 1.0328 0.3398 0.067 Uiso 1 1 calc R . .
H17C H 0.2612 1.0019 0.3976 0.067 Uiso 1 1 calc R . .
C18 C 0.1804(3) 0.6914(5) 0.23894(18) 0.0320(11) Uani 1 1 d . . .
H18A H 0.179 0.6067 0.2456 0.048 Uiso 1 1 calc R . .
H18B H 0.2344 0.7147 0.2325 0.048 Uiso 1 1 calc R . .
H18C H 0.1447 0.71 0.2089 0.048 Uiso 1 1 calc R . .
C19 C -0.0296(3) 0.1591(4) 0.19189(18) 0.0270(11) Uani 1 1 d . . .
H19 H -0.042 0.1874 0.1561 0.032 Uiso 1 1 calc R . .
C20 C -0.0906(3) 0.1723(4) 0.22273(19) 0.0280(12) Uani 1 1 d . . .
H20 H -0.1393 0.2068 0.2048 0.034 Uiso 1 1 calc R . .
C21 C -0.1067(3) 0.1000(5) 0.2695(2) 0.0378(13) Uani 1 1 d . . .
H21A H -0.135 0.0275 0.258 0.045 Uiso 1 1 calc R . .
H21B H -0.1422 0.1455 0.2904 0.045 Uiso 1 1 calc R . .
C22 C -0.0335(3) 0.0655(5) 0.3033(2) 0.0388(13) Uani 1 1 d . . .
H22A H -0.0496 0.0464 0.3379 0.047 Uiso 1 1 calc R . .
H22B H -0.0107 -0.0066 0.2892 0.047 Uiso 1 1 calc R . .
C31 C 0.6844(3) 0.1821(5) 0.5069(2) 0.0460(15) Uani 1 1 d . . .
H31 H 0.6397 0.1343 0.5118 0.055 Uiso 1 1 calc R . .
C32 C 0.7090(3) 0.1981(5) 0.4584(2) 0.0433(14) Uani 1 1 d . . .
H32 H 0.6804 0.1634 0.4297 0.052 Uiso 1 1 calc R . .
C33 C 0.7753(3) 0.2648(5) 0.4519(2) 0.0430(14) Uani 1 1 d . . .
H33 H 0.7934 0.2741 0.4187 0.052 Uiso 1 1 calc R . .
C41 C 0.9199(4) 0.0203(5) 0.4912(2) 0.0503(15) Uani 1 1 d . . .
H41 H 0.8648 0.0344 0.4854 0.06 Uiso 1 1 calc R . .
C42 C 0.9731(4) 0.0900(5) 0.4680(2) 0.0520(16) Uani 1 1 d . . .
H42 H 0.9544 0.1516 0.4458 0.062 Uiso 1 1 calc R . .
C43 C 1.0526(4) 0.0714(5) 0.4764(2) 0.0485(15) Uani 1 1 d . . .
H43 H 1.089 0.1204 0.4605 0.058 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
Pt Pt -1.7033 8.3905 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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
C20 Pt1 C20 93.8(2) . 2 ?
C20 Pt1 C19 34.92(17) . . ?
C20 Pt1 C19 79.50(16) 2 . ?
C20 Pt1 C19 79.50(16) . 2 ?
C20 Pt1 C19 34.92(17) 2 2 ?
C19 Pt1 C19 85.7(2) . 2 ?
C20 Pt1 P1 170.77(14) . . ?
C20 Pt1 P1 88.55(12) 2 . ?
C19 Pt1 P1 154.13(12) . . ?
C19 Pt1 P1 97.61(12) 2 . ?
C20 Pt1 P1 88.55(11) . 2 ?
C20 Pt1 P1 170.77(14) 2 2 ?
C19 Pt1 P1 97.61(12) . 2 ?
C19 Pt1 P1 154.13(12) 2 2 ?
P1 Pt1 P1 90.54(6) . 2 ?
C1 P1 P2 98.82(15) . . ?
C1 P1 Pt1 109.65(15) . . ?
P2 P1 Pt1 107.55(6) . . ?
C10 P2 P2 107.08(15) . 2 ?
C10 P2 P1 104.03(15) . . ?
P2 P2 P1 90.42(5) 2 . ?
C6 C1 C2 118.7(4) . . ?
C6 C1 P1 116.6(3) . . ?
C2 C1 P1 124.6(3) . . ?
C3 C2 C1 118.7(4) . . ?
C3 C2 C7 117.9(4) . . ?
C1 C2 C7 123.4(4) . . ?
C4 C3 C2 123.1(5) . . ?
C3 C4 C5 117.4(4) . . ?
C3 C4 C8 120.9(5) . . ?
C5 C4 C8 121.7(5) . . ?
C4 C5 C6 122.4(5) . . ?
C5 C6 C1 119.5(4) . . ?
C5 C6 C9 117.3(4) . . ?
C1 C6 C9 123.2(4) . . ?
C11 C10 C15 118.9(4) . . ?
C11 C10 P2 113.5(3) . . ?
C15 C10 P2 127.6(4) . . ?
C12 C11 C10 119.6(4) . . ?
C12 C11 C16 117.4(4) . . ?
C10 C11 C16 122.9(4) . . ?
C11 C12 C13 122.9(5) . . ?
C14 C13 C12 117.0(4) . . ?
C14 C13 C17 121.8(5) . . ?
C12 C13 C17 121.2(5) . . ?
C13 C14 C15 122.7(5) . . ?
C14 C15 C10 118.8(4) . . ?
C14 C15 C18 117.0(4) . . ?
C10 C15 C18 124.2(4) . . ?
C20 C19 C22 126.3(5) . 2 ?
C20 C19 Pt1 70.5(3) . . ?
C22 C19 Pt1 110.2(3) 2 . ?
C19 C20 C21 127.4(4) . . ?
C19 C20 Pt1 74.6(3) . . ?
C21 C20 Pt1 105.9(3) . . ?
C20 C21 C22 115.0(4) . . ?
C19 C22 C21 114.1(4) 2 . ?
C33 C31 C32 119.9(5) 7_656 . ?
C31 C32 C33 119.5(5) . . ?
C31 C33 C32 120.5(5) 7_656 . ?
C42 C41 C43 119.8(6) . 5_756 ?
C43 C42 C41 120.7(6) . . ?
C42 C43 C41 119.5(6) . 5_756 ?
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
Pt1 C20 2.253(4) . ?
Pt1 C20 2.253(4) 2 ?
Pt1 C19 2.304(4) . ?
Pt1 C19 2.304(4) 2 ?
Pt1 P1 2.3277(12) . ?
Pt1 P1 2.3277(12) 2 ?
P1 C1 1.863(5) . ?
P1 P2 2.2237(17) . ?
P2 C10 1.870(5) . ?
P2 P2 2.214(2) 2 ?
C1 C6 1.407(6) . ?
C1 C2 1.421(6) . ?
C2 C3 1.395(7) . ?
C2 C7 1.512(6) . ?
C3 C4 1.380(7) . ?
C4 C5 1.382(7) . ?
C4 C8 1.524(7) . ?
C5 C6 1.397(7) . ?
C6 C9 1.513(7) . ?
C10 C11 1.411(6) . ?
C10 C15 1.414(6) . ?
C11 C12 1.384(7) . ?
C11 C16 1.523(7) . ?
C12 C13 1.392(7) . ?
C13 C14 1.386(7) . ?
C13 C17 1.498(7) . ?
C14 C15 1.408(7) . ?
C15 C18 1.517(7) . ?
C19 C20 1.368(7) . ?
C19 C22 1.508(6) 2 ?
C20 C21 1.518(7) . ?
C21 C22 1.521(7) . ?
C22 C19 1.508(6) 2 ?
C31 C33 1.372(8) 7_656 ?
C31 C32 1.377(8) . ?
C32 C33 1.379(8) . ?
C33 C31 1.372(8) 7_656 ?
C41 C42 1.378(8) . ?
C41 C43 1.402(8) 5_756 ?
C42 C43 1.365(8) . ?
C43 C41 1.402(8) 5_756 ?
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
C20 Pt1 P1 C1 44.7(8) . . . . ?
C20 Pt1 P1 C1 -60.2(2) 2 . . . ?
C19 Pt1 P1 C1 -122.1(3) . . . . ?
C19 Pt1 P1 C1 -26.4(2) 2 . . . ?
P1 Pt1 P1 C1 129.01(16) 2 . . . ?
C20 Pt1 P1 P2 -61.7(7) . . . . ?
C20 Pt1 P1 P2 -166.66(14) 2 . . . ?
C19 Pt1 P1 P2 131.4(3) . . . . ?
C19 Pt1 P1 P2 -132.84(13) 2 . . . ?
P1 Pt1 P1 P2 22.53(4) 2 . . . ?
C1 P1 P2 C10 78.9(2) . . . . ?
Pt1 P1 P2 C10 -167.17(15) . . . . ?
C1 P1 P2 P2 -173.39(15) . . . 2 ?
Pt1 P1 P2 P2 -59.44(7) . . . 2 ?
P2 P1 C1 C6 -120.0(3) . . . . ?
Pt1 P1 C1 C6 127.7(3) . . . . ?
P2 P1 C1 C2 58.9(4) . . . . ?
Pt1 P1 C1 C2 -53.4(4) . . . . ?
C6 C1 C2 C3 -0.3(7) . . . . ?
P1 C1 C2 C3 -179.3(3) . . . . ?
C6 C1 C2 C7 180.0(4) . . . . ?
P1 C1 C2 C7 1.0(7) . . . . ?
C1 C2 C3 C4 -1.7(7) . . . . ?
C7 C2 C3 C4 178.1(5) . . . . ?
C2 C3 C4 C5 1.4(7) . . . . ?
C2 C3 C4 C8 -178.9(5) . . . . ?
C3 C4 C5 C6 0.8(7) . . . . ?
C8 C4 C5 C6 -178.9(5) . . . . ?
C4 C5 C6 C1 -2.7(7) . . . . ?
C4 C5 C6 C9 175.7(5) . . . . ?
C2 C1 C6 C5 2.4(7) . . . . ?
P1 C1 C6 C5 -178.6(4) . . . . ?
C2 C1 C6 C9 -175.9(5) . . . . ?
P1 C1 C6 C9 3.2(6) . . . . ?
P2 P2 C10 C11 137.9(3) 2 . . . ?
P1 P2 C10 C11 -127.2(3) . . . . ?
P2 P2 C10 C15 -42.0(4) 2 . . . ?
P1 P2 C10 C15 52.9(4) . . . . ?
C15 C10 C11 C12 1.9(7) . . . . ?
P2 C10 C11 C12 -178.0(3) . . . . ?
C15 C10 C11 C16 -176.8(4) . . . . ?
P2 C10 C11 C16 3.3(6) . . . . ?
C10 C11 C12 C13 -1.2(7) . . . . ?
C16 C11 C12 C13 177.6(5) . . . . ?
C11 C12 C13 C14 -0.5(7) . . . . ?
C11 C12 C13 C17 -180.0(4) . . . . ?
C12 C13 C14 C15 1.4(7) . . . . ?
C17 C13 C14 C15 -179.1(4) . . . . ?
C13 C14 C15 C10 -0.7(7) . . . . ?
C13 C14 C15 C18 178.5(4) . . . . ?
C11 C10 C15 C14 -1.0(6) . . . . ?
P2 C10 C15 C14 178.9(3) . . . . ?
C11 C10 C15 C18 179.9(4) . . . . ?
P2 C10 C15 C18 -0.3(7) . . . . ?
C20 Pt1 C19 C20 112.5(3) 2 . . . ?
C19 Pt1 C19 C20 77.8(3) 2 . . . ?
P1 Pt1 C19 C20 176.4(2) . . . . ?
P1 Pt1 C19 C20 -76.3(3) 2 . . . ?
C20 Pt1 C19 C22 -122.6(5) . . . 2 ?
C20 Pt1 C19 C22 -10.1(3) 2 . . 2 ?
C19 Pt1 C19 C22 -44.8(3) 2 . . 2 ?
P1 Pt1 C19 C22 53.7(5) . . . 2 ?
P1 Pt1 C19 C22 161.0(3) 2 . . 2 ?
C22 C19 C20 C21 2.8(8) 2 . . . ?
Pt1 C19 C20 C21 -98.4(5) . . . . ?
C22 C19 C20 Pt1 101.2(4) 2 . . . ?
C20 Pt1 C20 C19 -65.5(3) 2 . . . ?
C19 Pt1 C20 C19 -97.5(3) 2 . . . ?
P1 Pt1 C20 C19 -170.0(6) . . . . ?
P1 Pt1 C20 C19 105.5(3) 2 . . . ?
C20 Pt1 C20 C21 59.7(3) 2 . . . ?
C19 Pt1 C20 C21 125.2(4) . . . . ?
C19 Pt1 C20 C21 27.7(3) 2 . . . ?
P1 Pt1 C20 C21 -44.8(9) . . . . ?
P1 Pt1 C20 C21 -129.3(3) 2 . . . ?
C19 C20 C21 C22 38.8(7) . . . . ?
Pt1 C20 C21 C22 -43.7(5) . . . . ?
C20 C21 C22 C19 37.4(7) . . . 2 ?
C33 C31 C32 C33 1.9(9) 7_656 . . . ?
C31 C32 C33 C31 -1.9(9) . . . 7_656 ?
C43 C41 C42 C43 -0.7(9) 5_756 . . . ?
C41 C42 C43 C41 0.7(9) . . . 5_756 ?
