#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007576.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_7007576
loop_
_publ_author_name
'Doherty, Ruth'
'Haddow, Mairi F.'
'Harrison, Zoë A'
'Orpen, A. Guy'
'Pringle, Paul G.'
'Turner, Alex'
'Wingad, Richard L.'
_publ_section_title
;
 Bulky 4-phosphacyclohexanones: diastereoselective complexations,
 orthometallations and unprecedented [3.1.1]metallabicycles.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4310
_journal_page_last               4320
_journal_paper_doi               10.1039/b607490a
_journal_year                    2006
_chemical_formula_moiety         'C42 H48 Cl2 O2 P2 Pt2, C7 H8'
_chemical_formula_sum            'C49 H56 Cl2 O2 P2 Pt2'
_chemical_formula_weight         1199.96
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.08(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.415(3)
_cell_length_b                   8.1738(16)
_cell_length_c                   18.349(4)
_cell_measurement_reflns_used    2456
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.070
_cell_measurement_theta_min      2.281
_cell_volume                     2142.4(9)
_computing_cell_refinement       'Bruker SMART V5.054 (Bruker, 1998)'
_computing_data_collection       'Bruker SMART V5.054 (Bruker, 1998)'
_computing_data_reduction        'Bruker SAINT V6.28A (Bruker, 2001)'
_computing_molecular_graphics    'Bruker SHELXTL V6.14 (Bruker AXS, 2003)'
_computing_publication_material  'Bruker SHELXTL V6.14 (Bruker AXS, 2003)'
_computing_structure_refinement  'SHELXL V6.12 (Bruker 2001)'
_computing_structure_solution    'SHELXS V6.12 (Bruker 2001)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.5
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0603
_diffrn_reflns_av_sigmaI/netI    0.0673
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14888
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.763
_exptl_absorpt_correction_T_max  0.390000
_exptl_absorpt_correction_T_min  0.212141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1172
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.14
_refine_diff_density_max         3.038
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.324
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4908
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0554P)²+5.1365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                4149
_reflns_number_total             4908
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607490a.txt
_cod_data_source_block           7.toluene_at008sad
_cod_original_cell_volume        2142.3(9)
_cod_original_sg_symbol_H-M      'P 2(1)/c'
_cod_database_code               7007576
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_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 0.379362(16) 0.93023(3) 0.979670(14) 0.01184(9) Uani 1 1 d . . .
O1 O -0.0037(4) 1.0125(7) 0.7951(3) 0.0290(12) Uani 1 1 d . . .
P1 P 0.27340(11) 0.76830(19) 0.89870(10) 0.0126(3) Uani 1 1 d . . .
Cl1 Cl 0.50758(11) 0.8839(2) 0.93548(10) 0.0169(3) Uani 1 1 d . . .
C1 C 0.1740(4) 0.7646(7) 0.9318(4) 0.0143(13) Uani 1 1 d . . .
H1 H 0.1748 0.6557 0.9569 0.017 Uiso 1 1 calc R . .
C2 C 0.0790(4) 0.7809(8) 0.8633(4) 0.0150(13) Uani 1 1 d . . .
H2A H 0.0712 0.6881 0.8267 0.018 Uiso 1 1 calc R . .
H2B H 0.0286 0.7733 0.8843 0.018 Uiso 1 1 calc R . .
C3 C 0.0678(5) 0.9369(8) 0.8187(4) 0.0174(14) Uani 1 1 d . . .
C4 C 0.1532(5) 0.9932(9) 0.8030(4) 0.0183(14) Uani 1 1 d . . .
H4A H 0.1901 1.0686 0.8456 0.022 Uiso 1 1 calc R . .
H4B H 0.1319 1.0555 0.7531 0.022 Uiso 1 1 calc R . .
C5 C 0.2177(5) 0.8537(8) 0.7976(4) 0.0164(13) Uani 1 1 d . . .
H5 H 0.1773 0.7663 0.7632 0.020 Uiso 1 1 calc R . .
C8 C 0.2960(5) 1.0882(8) 1.0851(4) 0.0194(14) Uani 1 1 d . . .
H8 H 0.3532 1.1472 1.1045 0.023 Uiso 1 1 calc R . .
C7 C 0.2796(4) 0.9758(8) 1.0233(4) 0.0146(13) Uani 1 1 d . . .
C6 C 0.1925(4) 0.8929(7) 0.9951(4) 0.0111(12) Uani 1 1 d . . .
C9 C 0.2289(5) 1.1141(9) 1.1182(5) 0.0243(16) Uani 1 1 d . . .
H9 H 0.2417 1.1887 1.1607 0.029 Uiso 1 1 calc R . .
C10 C 0.1449(5) 1.0331(9) 1.0902(4) 0.0239(16) Uani 1 1 d . . .
H10 H 0.0995 1.0521 1.1128 0.029 Uiso 1 1 calc R . .
C11 C 0.1267(5) 0.9231(8) 1.0285(4) 0.0201(15) Uani 1 1 d . . .
H11 H 0.0683 0.8675 1.0088 0.024 Uiso 1 1 calc R . .
C12 C 0.2861(5) 0.9095(8) 0.7610(4) 0.0175(14) Uani 1 1 d . . .
C13 C 0.3374(5) 1.0533(8) 0.7858(5) 0.0221(15) Uani 1 1 d . . .
H13 H 0.3294 1.1169 0.8261 0.027 Uiso 1 1 calc R . .
C14 C 0.3995(5) 1.1046(9) 0.7525(5) 0.0239(16) Uani 1 1 d . . .
H14 H 0.4343 1.2025 0.7701 0.029 Uiso 1 1 calc R . .
C15 C 0.4109(5) 1.0128(10) 0.6931(5) 0.0271(17) Uani 1 1 d . . .
H15 H 0.4528 1.0486 0.6695 0.032 Uiso 1 1 calc R . .
C16 C 0.3616(5) 0.8707(10) 0.6686(4) 0.0254(16) Uani 1 1 d . . .
H16 H 0.3701 0.8071 0.6285 0.030 Uiso 1 1 calc R . .
C17 C 0.2993(5) 0.8192(9) 0.7023(4) 0.0250(16) Uani 1 1 d . . .
H17 H 0.2653 0.7206 0.6847 0.030 Uiso 1 1 calc R . .
C18 C 0.3038(5) 0.5503(8) 0.8921(4) 0.0192(14) Uani 1 1 d . . .
C19 C 0.2175(5) 0.4530(8) 0.8434(5) 0.0287(18) Uani 1 1 d . . .
H19A H 0.1949 0.4908 0.7887 0.043 Uiso 1 1 calc R . .
H19B H 0.1685 0.4688 0.8646 0.043 Uiso 1 1 calc R . .
H19C H 0.2336 0.3367 0.8455 0.043 Uiso 1 1 calc R . .
C20 C 0.3440(6) 0.4867(10) 0.9772(5) 0.0304(18) Uani 1 1 d . . .
H20A H 0.2962 0.4945 1.0002 0.046 Uiso 1 1 calc R . .
H20B H 0.3985 0.5527 1.0082 0.046 Uiso 1 1 calc R . .
H20C H 0.3631 0.3722 0.9774 0.046 Uiso 1 1 calc R . .
C21 C 0.3775(5) 0.5334(9) 0.8555(5) 0.0237(16) Uani 1 1 d . . .
H21A H 0.4004 0.4204 0.8615 0.036 Uiso 1 1 calc R . .
H21B H 0.4298 0.6076 0.8821 0.036 Uiso 1 1 calc R . .
H21C H 0.3496 0.5612 0.7995 0.036 Uiso 1 1 calc R . .
C22 C 0.9974(10) 0.5547(13) 0.0410(7) 0.022(3) Uiso 0.50 1 d PG . .
C23 C 1.0770(8) 0.4698(14) 0.0445(6) 0.040(5) Uiso 0.50 1 d PG . .
H23 H 1.1315 0.4713 0.0914 0.048 Uiso 0.50 1 calc PR . .
C24 C 1.0768(9) 0.3828(14) -0.0206(8) 0.048(5) Uiso 0.50 1 d PG . .
H24 H 1.1312 0.3247 -0.0183 0.058 Uiso 0.50 1 calc PR . .
C25 C 0.9971(11) 0.3806(17) -0.0892(7) 0.036(6) Uiso 0.50 1 d PG . .
H25 H 0.9970 0.3211 -0.1337 0.044 Uiso 0.50 1 calc PR . .
C26 C 0.9175(9) 0.4655(18) -0.0927(7) 0.066(6) Uiso 0.50 1 d PG . .
H26 H 0.8630 0.4640 -0.1396 0.079 Uiso 0.50 1 calc PR . .
C27 C 0.9177(8) 0.5526(15) -0.0276(8) 0.074(9) Uiso 0.50 1 d PG . .
H27 H 0.8633 0.6106 -0.0300 0.089 Uiso 0.50 1 calc PR . .
C28 C 1.0076(13) 0.644(2) 0.1067(12) 0.026(4) Uiso 0.50 1 d P . .
H28A H 0.9996 0.5718 0.1465 0.039 Uiso 0.50 1 calc PR . .
H28B H 0.9604 0.7305 0.0932 0.039 Uiso 0.50 1 calc PR . .
H28C H 1.0703 0.6925 0.1277 0.039 Uiso 0.50 1 calc PR . .
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'
Pt Pt -1.7033 8.3905 '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'
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
C7 Pt1 P1 84.0(2) . . yes
C7 Pt1 Cl1 95.8(2) . 3_677 yes
P1 Pt1 Cl1 177.67(6) . 3_677 ?
C7 Pt1 Cl1 175.9(2) . . ?
P1 Pt1 Cl1 99.90(6) . . yes
Cl1 Pt1 Cl1 80.30(6) 3_677 . ?
C1 P1 C18 105.4(3) . . yes
C1 P1 C5 101.8(3) . . yes
C18 P1 C5 109.1(3) . . yes
C1 P1 Pt1 106.6(2) . . yes
C18 P1 Pt1 118.8(2) . . yes
C5 P1 Pt1 113.3(2) . . yes
Pt1 Cl1 Pt1 99.70(6) 3_677 . ?
C6 C1 C2 114.5(5) . . ?
C6 C1 P1 107.5(4) . . yes
C2 C1 P1 112.6(4) . . ?
C6 C1 H1 107.3 . . ?
C2 C1 H1 107.3 . . ?
P1 C1 H1 107.3 . . ?
C3 C2 C1 113.7(5) . . ?
C3 C2 H2A 108.8 . . ?
C1 C2 H2A 108.8 . . ?
C3 C2 H2B 108.8 . . ?
C1 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
O1 C3 C2 122.8(6) . . ?
O1 C3 C4 121.5(6) . . ?
C2 C3 C4 115.7(6) . . ?
C3 C4 C5 114.4(6) . . ?
C3 C4 H4A 108.7 . . ?
C5 C4 H4A 108.7 . . ?
C3 C4 H4B 108.7 . . ?
C5 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C12 C5 C4 112.2(5) . . ?
C12 C5 P1 114.6(5) . . ?
C4 C5 P1 106.3(4) . . ?
C12 C5 H5 107.8 . . ?
C4 C5 H5 107.8 . . ?
P1 C5 H5 107.8 . . ?
C9 C8 C7 120.8(6) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C7 C6 117.7(6) . . ?
C8 C7 Pt1 120.5(5) . . ?
C6 C7 Pt1 121.7(5) . . yes
C11 C6 C7 120.2(6) . . ?
C11 C6 C1 120.3(6) . . ?
C7 C6 C1 119.5(5) . . yes
C10 C9 C8 120.8(7) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.4(7) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C6 121.1(6) . . ?
C10 C11 H11 119.4 . . ?
C6 C11 H11 119.4 . . ?
C17 C12 C13 118.2(6) . . ?
C17 C12 C5 121.0(6) . . ?
C13 C12 C5 120.8(6) . . ?
C14 C13 C12 120.9(7) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 119.8(7) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.0(7) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.1(7) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 120.9(7) . . ?
C12 C17 H17 119.5 . . ?
C16 C17 H17 119.5 . . ?
C19 C18 C21 109.0(6) . . ?
C19 C18 C20 110.5(6) . . ?
C21 C18 C20 109.4(6) . . ?
C19 C18 P1 110.8(5) . . ?
C21 C18 P1 111.3(5) . . ?
C20 C18 P1 105.9(5) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C28 C22 C23 114.7(13) . . ?
C28 C22 C27 125.2(13) . . ?
C23 C22 C27 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C22 120.0 . . ?
C26 C27 H27 120.0 . . ?
C22 C27 H27 120.0 . . ?
C22 C28 H28A 109.5 . . ?
C22 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C22 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
Pt1 C7 2.017(6) . yes
Pt1 P1 2.1914(18) . yes
Pt1 Cl1 2.3937(17) 3_677 yes
Pt1 Cl1 2.4315(16) . yes
O1 C3 1.195(8) . ?
P1 C1 1.848(6) . yes
P1 C18 1.858(6) . yes
P1 C5 1.862(7) . yes
Cl1 Pt1 2.3937(17) 3_677 ?
C1 C6 1.511(9) . yes
C1 C2 1.536(9) . ?
C1 H1 1.0000 . ?
C2 C3 1.490(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 C4 1.520(9) . ?
C4 C5 1.540(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C12 1.520(9) . ?
C5 H5 1.0000 . ?
C8 C9 1.400(9) . ?
C8 C7 1.406(9) . ?
C8 H8 0.9500 . ?
C7 C6 1.417(9) . yes
C6 C11 1.390(8) . ?
C9 C10 1.370(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(10) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C17 1.382(10) . ?
C12 C13 1.393(10) . ?
C13 C14 1.381(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.368(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(10) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.518(10) . ?
C18 C21 1.527(9) . ?
C18 C20 1.538(11) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C28 1.37(2) . ?
C22 C23 1.3900 . ?
C22 C27 1.3900 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C24 C25 1.3900 . ?
C24 H24 0.9500 . ?
C25 C26 1.3900 . ?
C25 H25 0.9500 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
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
C7 Pt1 P1 C1 -6.4(3) . . . . ?
Cl1 Pt1 P1 C1 172.5(2) . . . . ?
C7 Pt1 P1 C18 -125.2(3) . . . . ?
Cl1 Pt1 P1 C18 53.8(3) . . . . ?
C7 Pt1 P1 C5 104.7(3) . . . . ?
Cl1 Pt1 P1 C5 -76.4(2) . . . . ?
P1 Pt1 Cl1 Pt1 177.65(6) . . . 3_677 ?
Cl1 Pt1 Cl1 Pt1 0.0 3_677 . . 3_677 ?
C18 P1 C1 C6 135.6(4) . . . . ?
C5 P1 C1 C6 -110.5(5) . . . . ?
Pt1 P1 C1 C6 8.5(5) . . . . yes
C18 P1 C1 C2 -97.4(5) . . . . ?
C5 P1 C1 C2 16.5(5) . . . . ?
Pt1 P1 C1 C2 135.5(4) . . . . ?
C6 C1 C2 C3 62.2(7) . . . . ?
P1 C1 C2 C3 -61.0(6) . . . . ?
C1 C2 C3 O1 -140.1(7) . . . . ?
C1 C2 C3 C4 41.2(8) . . . . ?
O1 C3 C4 C5 -150.2(7) . . . . ?
C2 C3 C4 C5 28.5(8) . . . . ?
C3 C4 C5 C12 164.7(6) . . . . ?
C3 C4 C5 P1 -69.3(7) . . . . ?
C1 P1 C5 C12 166.3(5) . . . . ?
C18 P1 C5 C12 -82.6(5) . . . . ?
Pt1 P1 C5 C12 52.3(5) . . . . ?
C1 P1 C5 C4 41.8(5) . . . . ?
C18 P1 C5 C4 152.9(4) . . . . ?
Pt1 P1 C5 C4 -72.3(5) . . . . ?
C9 C8 C7 C6 1.3(10) . . . . ?
C9 C8 C7 Pt1 -176.7(6) . . . . ?
P1 Pt1 C7 C8 -178.3(6) . . . . ?
Cl1 Pt1 C7 C8 -0.6(6) 3_677 . . . ?
P1 Pt1 C7 C6 3.9(5) . . . . yes
Cl1 Pt1 C7 C6 -178.5(5) 3_677 . . . ?
C8 C7 C6 C11 -0.3(10) . . . . ?
Pt1 C7 C6 C11 177.6(5) . . . . ?
C8 C7 C6 C1 -176.7(6) . . . . ?
Pt1 C7 C6 C1 1.2(8) . . . . yes
C2 C1 C6 C11 51.1(8) . . . . ?
P1 C1 C6 C11 177.0(5) . . . . ?
C2 C1 C6 C7 -132.5(6) . . . . ?
P1 C1 C6 C7 -6.6(7) . . . . yes
C7 C8 C9 C10 -1.4(12) . . . . ?
C8 C9 C10 C11 0.5(12) . . . . ?
C9 C10 C11 C6 0.4(11) . . . . ?
C7 C6 C11 C10 -0.5(10) . . . . ?
C1 C6 C11 C10 175.9(6) . . . . ?
C4 C5 C12 C17 -132.7(7) . . . . ?
P1 C5 C12 C17 105.9(7) . . . . ?
C4 C5 C12 C13 47.3(9) . . . . ?
P1 C5 C12 C13 -74.0(7) . . . . ?
C17 C12 C13 C14 0.2(11) . . . . ?
C5 C12 C13 C14 -179.8(7) . . . . ?
C12 C13 C14 C15 0.4(12) . . . . ?
C13 C14 C15 C16 -1.0(12) . . . . ?
C14 C15 C16 C17 0.9(12) . . . . ?
C13 C12 C17 C16 -0.3(11) . . . . ?
C5 C12 C17 C16 179.7(7) . . . . ?
C15 C16 C17 C12 -0.2(12) . . . . ?
C1 P1 C18 C19 51.6(6) . . . . ?
C5 P1 C18 C19 -57.1(6) . . . . ?
Pt1 P1 C18 C19 170.9(5) . . . . ?
C1 P1 C18 C21 173.0(5) . . . . ?
C5 P1 C18 C21 64.3(6) . . . . ?
Pt1 P1 C18 C21 -67.7(6) . . . . ?
C1 P1 C18 C20 -68.2(5) . . . . ?
C5 P1 C18 C20 -176.9(5) . . . . ?
Pt1 P1 C18 C20 51.1(5) . . . . ?
C28 C22 C23 C24 -176.2(14) . . . . ?
C27 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C22 0.0 . . . . ?
C28 C22 C27 C26 175.8(15) . . . . ?
C23 C22 C27 C26 0.0 . . . . ?
