#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:50:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178703 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/14/4081448.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_4081448
loop_
_publ_author_name
'Ciabatti, Iacopo'
'Femoni, Cristina'
'Iapalucci, Maria Carmela'
'Longoni, Giuliano'
'Zacchini, Stefano'
_publ_section_title
;
 Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P =
 CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters
 Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2
;
_journal_issue                   18
_journal_name_full               Organometallics
_journal_page_first              5180
_journal_paper_doi               10.1021/om400723w
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C56 H44 O4 P4 Pt4'
_chemical_formula_weight         1685.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.612(2)
_cell_length_b                   17.153(3)
_cell_length_c                   22.770(4)
_cell_measurement_reflns_used    6087
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.879
_cell_measurement_theta_min      2.332
_cell_volume                     5316.5(15)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.1378
_diffrn_reflns_av_sigmaI/netI    0.0617
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            47084
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    10.658
_exptl_absorpt_correction_T_max  0.3379
_exptl_absorpt_correction_T_min  0.2500
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1556 (selected reflections only, before parameter refinement)
 R(int) = 0.0726 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.072
_refine_diff_density_min         -1.457
_refine_diff_density_rms         0.236
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4695
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0535
_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)+(0.0698P)²+17.1764P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1206
_refine_ls_wR_factor_ref         0.1355
_reflns_number_gt                3231
_reflns_number_total             4695
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400723w_si_001.cif
_cod_data_source_block           pccnx_cif1
_cod_original_cell_volume        5316.1(15)
_cod_original_sg_symbol_H-M      Pccn
_cod_database_code               4081448
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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
C1 C 0.2476(11) 0.0926(9) 0.3926(8) 0.064(4) Uani 1 1 d U
C2 C 0.3439(10) 0.1045(9) 0.2557(8) 0.065(4) Uani 1 1 d U
C11 C -0.0474(9) 0.1916(8) 0.3094(6) 0.044(3) Uani 1 1 d U
C12 C -0.1411(11) 0.1718(10) 0.3031(8) 0.070(4) Uani 1 1 d U
H12A H -0.1751 0.1495 0.3343 0.084 Uiso 1 1 calc R
H12B H -0.1728 0.1803 0.2675 0.084 Uiso 1 1 calc R
C13 C -0.0312(9) 0.0945(8) 0.4086(6) 0.048(3) Uani 1 1 d U
C14 C -0.0836(10) 0.0949(9) 0.4603(7) 0.060(3) Uani 1 1 d U
H14 H -0.0907 0.1416 0.4806 0.072 Uiso 1 1 calc R
C15 C -0.1259(11) 0.0281(9) 0.4830(8) 0.066(3) Uani 1 1 d U
H15 H -0.1639 0.0310 0.5169 0.079 Uiso 1 1 calc R
C16 C -0.1123(11) -0.0415(9) 0.4563(8) 0.066(3) Uani 1 1 d U
H16 H -0.1387 -0.0868 0.4721 0.079 Uiso 1 1 calc R
C17 C -0.0593(11) -0.0437(10) 0.4057(8) 0.070(3) Uani 1 1 d U
H17 H -0.0500 -0.0910 0.3866 0.083 Uiso 1 1 calc R
C18 C -0.0187(10) 0.0238(9) 0.3821(8) 0.061(3) Uani 1 1 d U
H18 H 0.0177 0.0206 0.3476 0.074 Uiso 1 1 calc R
C19 C -0.0120(12) 0.2604(10) 0.4232(7) 0.064(3) Uani 1 1 d U
C20 C 0.0547(15) 0.2919(11) 0.4593(8) 0.086(4) Uani 1 1 d U
H20 H 0.1195 0.2747 0.4581 0.103 Uiso 1 1 calc R
C21 C 0.0274(17) 0.3510(11) 0.4993(10) 0.101(4) Uani 1 1 d U
H21 H 0.0741 0.3720 0.5246 0.122 Uiso 1 1 calc R
C22 C -0.0654(16) 0.3769(12) 0.5009(9) 0.097(4) Uani 1 1 d U
H22 H -0.0839 0.4154 0.5274 0.116 Uiso 1 1 calc R
C23 C -0.1309(16) 0.3465(11) 0.4638(9) 0.088(4) Uani 1 1 d U
H23 H -0.1950 0.3651 0.4645 0.106 Uiso 1 1 calc R
C24 C -0.1072(13) 0.2892(10) 0.4250(8) 0.074(4) Uani 1 1 d U
H24 H -0.1547 0.2694 0.3997 0.089 Uiso 1 1 calc R
C25 C 0.5630(11) 0.2117(10) 0.2067(8) 0.067(3) Uani 1 1 d U
C26 C 0.6006(12) 0.1439(10) 0.2298(9) 0.075(4) Uani 1 1 d U
H26 H 0.5796 0.1267 0.2664 0.090 Uiso 1 1 calc R
C27 C 0.6706(13) 0.1001(12) 0.1985(10) 0.087(4) Uani 1 1 d U
H27 H 0.7004 0.0568 0.2154 0.104 Uiso 1 1 calc R
C28 C 0.6930(13) 0.1219(12) 0.1445(10) 0.091(4) Uani 1 1 d U
H28 H 0.7364 0.0910 0.1233 0.109 Uiso 1 1 calc R
C29 C 0.6573(14) 0.1852(12) 0.1188(11) 0.093(4) Uani 1 1 d U
H29 H 0.6753 0.1984 0.0807 0.111 Uiso 1 1 calc R
C30 C 0.5920(12) 0.2314(11) 0.1506(8) 0.080(4) Uani 1 1 d U
H30 H 0.5673 0.2766 0.1336 0.096 Uiso 1 1 calc R
C31 C 0.4434(13) 0.3493(11) 0.2041(8) 0.076(4) Uani 1 1 d U
C32 C 0.3567(14) 0.3478(12) 0.1753(9) 0.089(4) Uani 1 1 d U
H32 H 0.3149 0.3053 0.1793 0.107 Uiso 1 1 calc R
C33 C 0.3296(16) 0.4117(14) 0.1387(10) 0.104(4) Uani 1 1 d U
H33 H 0.2695 0.4106 0.1193 0.125 Uiso 1 1 calc R
C34 C 0.3894(17) 0.4738(13) 0.1315(10) 0.106(4) Uani 1 1 d U
H34 H 0.3709 0.5160 0.1083 0.127 Uiso 1 1 calc R
C35 C 0.4765(17) 0.4723(12) 0.1590(9) 0.104(4) Uani 1 1 d U
H35 H 0.5206 0.5128 0.1525 0.124 Uiso 1 1 calc R
C36 C 0.5030(15) 0.4132(11) 0.1965(8) 0.089(4) Uani 1 1 d U
H36 H 0.5619 0.4165 0.2170 0.106 Uiso 1 1 calc R
O1 O 0.2871(9) 0.0473(7) 0.4196(6) 0.089(4) Uani 1 1 d U
O2 O 0.3460(9) 0.0415(7) 0.2373(6) 0.092(4) Uani 1 1 d U
P1 P 0.0255(2) 0.1791(2) 0.37587(17) 0.0433(8) Uani 1 1 d .
P2 P 0.4738(2) 0.2664(2) 0.24972(16) 0.0417(8) Uani 1 1 d .
Pt1 Pt 0.18793(3) 0.17442(3) 0.35167(2) 0.04276(18) Uani 1 1 d .
Pt2 Pt 0.34397(3) 0.20245(3) 0.28840(2) 0.04223(18) 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'
Pt Pt -1.7033 8.3905 '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
O1 C1 Pt1 174.9(17) . .
O2 C2 Pt2 177.0(17) . .
C12 C11 P1 125.7(12) . .
C12 C11 P2 123.0(12) . 2
P1 C11 P2 111.4(6) . 2
C11 C12 H12A 120.0 . .
C11 C12 H12B 120.0 . .
H12A C12 H12B 120.0 . .
C18 C13 C14 116.5(14) . .
C18 C13 P1 118.6(11) . .
C14 C13 P1 124.8(12) . .
C13 C14 C15 122.1(16) . .
C13 C14 H14 119.0 . .
C15 C14 H14 119.0 . .
C16 C15 C14 120.4(17) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 118.6(15) . .
C15 C16 H16 120.7 . .
C17 C16 H16 120.7 . .
C16 C17 C18 121.0(16) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C13 C18 C17 121.3(16) . .
C13 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C20 C19 C24 118.1(17) . .
C20 C19 P1 118.6(14) . .
C24 C19 P1 123.2(14) . .
C19 C20 C21 120(2) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C22 C21 C20 120(2) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C23 C22 C21 119(2) . .
C23 C22 H22 120.6 . .
C21 C22 H22 120.6 . .
C22 C23 C24 122(2) . .
C22 C23 H23 118.8 . .
C24 C23 H23 118.8 . .
C23 C24 C19 119.8(19) . .
C23 C24 H24 120.1 . .
C19 C24 H24 120.1 . .
C26 C25 C30 117.0(16) . .
C26 C25 P2 118.6(14) . .
C30 C25 P2 124.3(15) . .
C25 C26 C27 120.7(19) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C28 C27 C26 118(2) . .
C28 C27 H27 120.8 . .
C26 C27 H27 120.8 . .
C27 C28 C29 124(2) . .
C27 C28 H28 118.0 . .
C29 C28 H28 118.0 . .
C28 C29 C30 118(2) . .
C28 C29 H29 121.0 . .
C30 C29 H29 121.0 . .
C25 C30 C29 122(2) . .
C25 C30 H30 119.1 . .
C29 C30 H30 119.1 . .
C32 C31 C36 118.0(18) . .
C32 C31 P2 117.6(15) . .
C36 C31 P2 124.3(15) . .
C31 C32 C33 120(2) . .
C31 C32 H32 120.2 . .
C33 C32 H32 120.2 . .
C34 C33 C32 121(2) . .
C34 C33 H33 119.3 . .
C32 C33 H33 119.3 . .
C35 C34 C33 117(2) . .
C35 C34 H34 121.3 . .
C33 C34 H34 121.3 . .
C34 C35 C36 122(2) . .
C34 C35 H35 118.8 . .
C36 C35 H35 118.8 . .
C35 C36 C31 121(2) . .
C35 C36 H36 119.6 . .
C31 C36 H36 119.6 . .
C13 P1 C11 101.8(6) . .
C13 P1 C19 104.5(7) . .
C11 P1 C19 104.3(7) . .
C13 P1 Pt1 119.1(4) . .
C11 P1 Pt1 109.4(4) . .
C19 P1 Pt1 116.0(5) . .
C31 P2 C25 104.4(9) . .
C31 P2 C11 104.0(8) . 2
C25 P2 C11 103.7(7) . 2
C31 P2 Pt2 115.2(6) . .
C25 P2 Pt2 118.8(5) . .
C11 P2 Pt2 109.2(4) 2 .
C1 Pt1 P1 109.1(4) . .
C1 Pt1 Pt2 163.9(4) . 2
P1 Pt1 Pt2 86.76(9) . 2
C1 Pt1 Pt2 93.4(4) . .
P1 Pt1 Pt2 156.31(10) . .
Pt2 Pt1 Pt2 71.32(3) 2 .
C1 Pt1 Pt1 113.1(5) . 2
P1 Pt1 Pt1 120.02(9) . 2
Pt2 Pt1 Pt1 53.777(19) 2 2
Pt2 Pt1 Pt1 53.247(18) . 2
C2 Pt2 P2 106.6(5) . .
C2 Pt2 Pt1 165.8(5) . 2
P2 Pt2 Pt1 87.27(9) . 2
C2 Pt2 Pt1 93.1(5) . .
P2 Pt2 Pt1 160.23(9) . .
Pt1 Pt2 Pt1 72.98(3) 2 .
C2 Pt2 Pt2 119.4(5) . 2
P2 Pt2 Pt2 113.50(9) . 2
Pt1 Pt2 Pt2 54.614(19) 2 2
Pt1 Pt2 Pt2 54.068(19) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.129(17) .
C1 Pt1 1.869(16) .
C2 O2 1.159(17) .
C2 Pt2 1.838(16) .
C11 C12 1.328(18) .
C11 P1 1.822(13) .
C11 P2 1.836(13) 2
C12 H12A 0.9300 .
C12 H12B 0.9300 .
C13 C18 1.366(19) .
C13 C14 1.38(2) .
C13 P1 1.803(14) .
C14 C15 1.384(19) .
C14 H14 0.9300 .
C15 C16 1.35(2) .
C15 H15 0.9300 .
C16 C17 1.36(2) .
C16 H16 0.9300 .
C17 C18 1.39(2) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.34(2) .
C19 C24 1.39(2) .
C19 P1 1.835(17) .
C20 C21 1.41(2) .
C20 H20 0.9300 .
C21 C22 1.34(3) .
C21 H21 0.9300 .
C22 C23 1.33(3) .
C22 H22 0.9300 .
C23 C24 1.36(2) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.38(2) .
C25 C30 1.38(2) .
C25 P2 1.819(16) .
C26 C27 1.41(2) .
C26 H26 0.9300 .
C27 C28 1.32(3) .
C27 H27 0.9300 .
C28 C29 1.33(3) .
C28 H28 0.9300 .
C29 C30 1.39(2) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.35(2) .
C31 C36 1.37(2) .
C31 P2 1.810(17) .
C32 C33 1.43(3) .
C32 H32 0.9300 .
C33 C34 1.35(3) .
C33 H33 0.9300 .
C34 C35 1.34(3) .
C34 H34 0.9300 .
C35 C36 1.37(2) .
C35 H35 0.9300 .
C36 H36 0.9300 .
P1 Pt1 2.281(3) .
P2 C11 1.836(13) 2
P2 Pt2 2.259(3) .
Pt1 Pt2 2.5932(8) 2
Pt1 Pt2 2.6110(8) .
Pt1 Pt1 3.0947(11) 2
Pt2 Pt1 2.5932(8) 2
Pt2 Pt2 3.0339(11) 2
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_4
C18 C13 C14 C15 -3(2) . .
P1 C13 C14 C15 179.6(12) . .
C13 C14 C15 C16 4(2) . .
C14 C15 C16 C17 -2(2) . .
C15 C16 C17 C18 1(2) . .
C14 C13 C18 C17 2(2) . .
P1 C13 C18 C17 179.0(12) . .
C16 C17 C18 C13 -1(2) . .
C24 C19 C20 C21 2(3) . .
P1 C19 C20 C21 -175.7(15) . .
C19 C20 C21 C22 -1(3) . .
C20 C21 C22 C23 -1(3) . .
C21 C22 C23 C24 1(4) . .
C22 C23 C24 C19 0(3) . .
C20 C19 C24 C23 -2(3) . .
P1 C19 C24 C23 176.0(15) . .
C30 C25 C26 C27 4(2) . .
P2 C25 C26 C27 -179.2(13) . .
C25 C26 C27 C28 -6(3) . .
C26 C27 C28 C29 4(3) . .
C27 C28 C29 C30 0(3) . .
C26 C25 C30 C29 -1(2) . .
P2 C25 C30 C29 -177.0(13) . .
C28 C29 C30 C25 -1(3) . .
C36 C31 C32 C33 0(3) . .
P2 C31 C32 C33 -179.8(16) . .
C31 C32 C33 C34 1(4) . .
C32 C33 C34 C35 2(4) . .
C33 C34 C35 C36 -4(4) . .
C34 C35 C36 C31 5(3) . .
C32 C31 C36 C35 -2(3) . .
P2 C31 C36 C35 177.0(16) . .
C18 C13 P1 C11 70.2(12) . .
C14 C13 P1 C11 -112.8(13) . .
C18 C13 P1 C19 178.5(11) . .
C14 C13 P1 C19 -4.5(14) . .
C18 C13 P1 Pt1 -50.1(13) . .
C14 C13 P1 Pt1 126.9(11) . .
C12 C11 P1 C13 29.7(16) . .
P2 C11 P1 C13 -148.8(7) 2 .
C12 C11 P1 C19 -78.8(16) . .
P2 C11 P1 C19 102.7(8) 2 .
C12 C11 P1 Pt1 156.6(14) . .
P2 C11 P1 Pt1 -22.0(8) 2 .
C20 C19 P1 C13 106.5(15) . .
C24 C19 P1 C13 -71.1(16) . .
C20 C19 P1 C11 -147.0(15) . .
C24 C19 P1 C11 35.4(16) . .
C20 C19 P1 Pt1 -26.7(17) . .
C24 C19 P1 Pt1 155.7(13) . .
C32 C31 P2 C25 103.2(16) . .
C36 C31 P2 C25 -76.2(18) . .
C32 C31 P2 C11 -148.4(16) . 2
C36 C31 P2 C11 32.3(18) . 2
C32 C31 P2 Pt2 -29.0(18) . .
C36 C31 P2 Pt2 151.7(15) . .
C26 C25 P2 C31 -179.7(13) . .
C30 C25 P2 C31 -3.4(17) . .
C26 C25 P2 C11 71.7(14) . 2
C30 C25 P2 C11 -112.0(15) . 2
C26 C25 P2 Pt2 -49.6(15) . .
C30 C25 P2 Pt2 126.7(13) . .
O1 C1 Pt1 P1 -110(17) . .
O1 C1 Pt1 Pt2 59(18) . 2
O1 C1 Pt1 Pt2 78(17) . .
O1 C1 Pt1 Pt1 26(17) . 2
C13 P1 Pt1 C1 -18.6(8) . .
C11 P1 Pt1 C1 -135.0(7) . .
C19 P1 Pt1 C1 107.5(8) . .
C13 P1 Pt1 Pt2 164.4(6) . 2
C11 P1 Pt1 Pt2 48.0(5) . 2
C19 P1 Pt1 Pt2 -69.5(6) . 2
C13 P1 Pt1 Pt2 142.4(6) . .
C11 P1 Pt1 Pt2 26.1(6) . .
C19 P1 Pt1 Pt2 -91.4(6) . .
C13 P1 Pt1 Pt1 -151.4(6) . 2
C11 P1 Pt1 Pt1 92.3(5) . 2
C19 P1 Pt1 Pt1 -25.2(6) . 2
O2 C2 Pt2 P2 97(27) . .
O2 C2 Pt2 Pt1 -72(28) . 2
O2 C2 Pt2 Pt1 -83(27) . .
O2 C2 Pt2 Pt2 -133(27) . 2
C31 P2 Pt2 C2 114.9(9) . .
C25 P2 Pt2 C2 -10.1(9) . .
C11 P2 Pt2 C2 -128.6(7) 2 .
C31 P2 Pt2 Pt1 -67.9(7) . 2
C25 P2 Pt2 Pt1 167.1(7) . 2
C11 P2 Pt2 Pt1 48.6(5) 2 2
C31 P2 Pt2 Pt1 -65.7(8) . .
C25 P2 Pt2 Pt1 169.3(7) . .
C11 P2 Pt2 Pt1 50.8(6) 2 .
C31 P2 Pt2 Pt2 -18.7(7) . 2
C25 P2 Pt2 Pt2 -143.7(7) . 2
C11 P2 Pt2 Pt2 97.8(5) 2 2
C1 Pt1 Pt2 C2 60.7(8) . .
P1 Pt1 Pt2 C2 -101.4(6) . .
Pt2 Pt1 Pt2 C2 -124.6(6) 2 .
Pt1 Pt1 Pt2 C2 177.1(6) 2 .
C1 Pt1 Pt2 P2 -118.8(6) . .
P1 Pt1 Pt2 P2 79.2(4) . .
Pt2 Pt1 Pt2 P2 55.9(3) 2 .
Pt1 Pt1 Pt2 P2 -2.3(3) 2 .
C1 Pt1 Pt2 Pt1 -116.4(5) . 2
P1 Pt1 Pt2 Pt1 81.5(2) . 2
Pt2 Pt1 Pt2 Pt1 58.26(3) 2 2
C1 Pt1 Pt2 Pt2 -174.7(5) . 2
P1 Pt1 Pt2 Pt2 23.2(2) . 2
Pt1 Pt1 Pt2 Pt2 -58.26(3) 2 2
