#------------------------------------------------------------------------------
#$Date: 2017-03-04 04:20:42 +0200 (Sat, 04 Mar 2017) $
#$Revision: 193006 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/54/4345487.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_4345487
loop_
_publ_author_name
'Cesari, Cristiana'
'Ciabatti, Iacopo'
'Femoni, Cristina'
'Iapalucci, Maria Carmela'
'Mancini, Federica'
'Zacchini, Stefano'
_publ_section_title
;
 Heteroleptic Chini-Type Platinum Clusters: Synthesis and Characterization
 of Bis-Phospine Derivatives of [Pt3n(CO)6n](2-) (n = 2-4).
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1655
_journal_page_last               1668
_journal_paper_doi               10.1021/acs.inorgchem.6b02750
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C44 H48 N2 O10 P2 Pt6'
_chemical_formula_weight         1997.32
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.489(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7406(8)
_cell_length_b                   11.3119(4)
_cell_length_c                   22.0638(8)
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.063
_cell_measurement_theta_min      2.569
_cell_volume                     4890.9(3)
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0511
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40003
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    17.217
_exptl_absorpt_correction_T_max  0.2778
_exptl_absorpt_correction_T_min  0.1821
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1449 (selected reflections only, before parameter refinement)
 R(int) = 0.0599 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    2.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3616
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.069
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5351
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0218
_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)+(0.0040P)²+39.9872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0433
_refine_ls_wR_factor_ref         0.0451
_reflns_number_gt                4735
_reflns_number_total             5351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02750_si_002.cif
_cod_data_source_block           '[NMe4]2[Pt6(CO)10(dppe)]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4345487
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
Pt1 Pt 0.065897(10) 0.783633(16) 0.318329(10) 0.01472(5) Uani 1 1 d .
Pt2 Pt 0.076917(10) 0.551129(16) 0.312502(10) 0.01571(5) Uani 1 1 d .
Pt3 Pt -0.012495(10) 0.644442(17) 0.344499(10) 0.01662(5) Uani 1 1 d .
C1 C 0.1467(3) 0.6912(4) 0.3301(3) 0.0199(11) Uani 1 1 d .
C2 C 0.1202(3) 0.4200(4) 0.3023(3) 0.0170(10) Uani 1 1 d .
C3 C 0.0197(3) 0.4727(5) 0.3486(3) 0.0203(11) Uani 1 1 d .
C4 C -0.0628(3) 0.6215(5) 0.3888(3) 0.0271(13) Uani 1 1 d .
C5 C 0.0077(3) 0.8255(4) 0.3596(3) 0.0178(11) Uani 1 1 d .
O1 O 0.20427(19) 0.6972(3) 0.3473(2) 0.0254(9) Uani 1 1 d .
O2 O 0.1455(2) 0.3375(3) 0.2954(2) 0.0288(9) Uani 1 1 d .
O3 O 0.0115(2) 0.3779(3) 0.3664(2) 0.0320(10) Uani 1 1 d .
O4 O -0.0847(2) 0.6046(5) 0.4244(2) 0.0494(13) Uani 1 1 d .
O5 O -0.0055(2) 0.9045(3) 0.3867(2) 0.0246(8) Uani 1 1 d .
P1 P 0.09951(7) 0.96865(11) 0.31425(7) 0.0154(3) Uani 1 1 d .
C101 C 0.1375(3) 1.0448(5) 0.3989(3) 0.0183(11) Uani 1 1 d .
C102 C 0.1946(3) 0.9930(5) 0.4554(3) 0.0237(12) Uani 1 1 d .
H102 H 0.2104 0.9190 0.4490 0.028 Uiso 1 1 calc R
C103 C 0.2287(3) 1.0473(5) 0.5205(3) 0.0307(13) Uani 1 1 d .
H103 H 0.2682 1.0117 0.5583 0.037 Uiso 1 1 calc R
C105 C 0.1472(3) 1.2051(5) 0.4759(3) 0.0267(13) Uani 1 1 d .
H105 H 0.1302 1.2769 0.4835 0.032 Uiso 1 1 calc R
C106 C 0.1136(3) 1.1515(5) 0.4095(3) 0.0210(11) Uani 1 1 d .
H106 H 0.0745 1.1879 0.3717 0.025 Uiso 1 1 calc R
C107 C 0.1665(3) 0.9853(4) 0.2918(3) 0.0199(11) Uani 1 1 d .
C108 C 0.2127(3) 1.0795(5) 0.3203(3) 0.0235(12) Uani 1 1 d .
H108 H 0.2103 1.1323 0.3525 0.028 Uiso 1 1 calc R
C109 C 0.2624(3) 1.0956(5) 0.3016(3) 0.0291(13) Uani 1 1 d .
H109 H 0.2935 1.1597 0.3209 0.035 Uiso 1 1 calc R
C110 C 0.2663(3) 1.0194(5) 0.2557(4) 0.0322(14) Uani 1 1 d .
H110 H 0.3005 1.0299 0.2434 0.039 Uiso 1 1 calc R
C111 C 0.2201(3) 0.9268(5) 0.2269(3) 0.0305(14) Uani 1 1 d .
H111 H 0.2227 0.8742 0.1948 0.037 Uiso 1 1 calc R
C112 C 0.1699(3) 0.9098(5) 0.2445(3) 0.0230(12) Uani 1 1 d .
H112 H 0.1382 0.8467 0.2241 0.028 Uiso 1 1 calc R
C113 C 0.0341(2) 1.0704(4) 0.2505(3) 0.0159(10) Uani 1 1 d .
H11A H 0.0529 1.1516 0.2609 0.019 Uiso 1 1 calc R
H11B H 0.0249 1.0496 0.2028 0.019 Uiso 1 1 calc R
C114 C 0.2047(3) 1.1539(5) 0.5299(3) 0.0290(13) Uani 1 1 d .
H114 H 0.2284 1.1922 0.5743 0.035 Uiso 1 1 calc R
N1 N 0.4002(3) 0.7068(5) 0.4232(2) 0.0301(11) Uani 1 1 d U
C201 C 0.3683(4) 0.7251(7) 0.3457(3) 0.0430(17) Uani 1 1 d U
H20A H 0.3805 0.6591 0.3253 0.064 Uiso 1 1 calc R
H20B H 0.3850 0.7992 0.3369 0.064 Uiso 1 1 calc R
H20C H 0.3186 0.7288 0.3240 0.064 Uiso 1 1 calc R
C202 C 0.3820(5) 0.8049(8) 0.4541(4) 0.071(3) Uani 1 1 d U
H20D H 0.4004 0.8789 0.4476 0.106 Uiso 1 1 calc R
H20E H 0.4011 0.7904 0.5045 0.106 Uiso 1 1 calc R
H20F H 0.3322 0.8108 0.4310 0.106 Uiso 1 1 calc R
C203 C 0.3716(4) 0.5954(7) 0.4345(4) 0.052(2) Uani 1 1 d U
H20G H 0.3837 0.5285 0.4147 0.078 Uiso 1 1 calc R
H20H H 0.3219 0.6018 0.4111 0.078 Uiso 1 1 calc R
H20I H 0.3906 0.5829 0.4850 0.078 Uiso 1 1 calc R
C204 C 0.4750(3) 0.6928(7) 0.4568(3) 0.0441(18) Uani 1 1 d U
H20J H 0.4852 0.6259 0.4354 0.066 Uiso 1 1 calc R
H20K H 0.4947 0.6782 0.5073 0.066 Uiso 1 1 calc R
H20L H 0.4948 0.7651 0.4501 0.066 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'
N N 0.0061 0.0033 '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
C5 Pt1 C1 146.4(2) . .
C5 Pt1 P1 96.59(14) . .
C1 Pt1 P1 100.51(15) . .
C5 Pt1 Pt2 110.86(14) . .
C1 Pt1 Pt2 52.30(15) . .
P1 Pt1 Pt2 151.66(3) . .
C5 Pt1 Pt3 50.98(14) . .
C1 Pt1 Pt3 109.50(14) . .
P1 Pt1 Pt3 147.36(3) . .
Pt2 Pt1 Pt3 60.802(7) . .
C5 Pt1 Pt1 84.44(15) . 2
C1 Pt1 Pt1 120.90(15) . 2
P1 Pt1 Pt1 98.47(3) . 2
Pt2 Pt1 Pt1 91.272(6) . 2
Pt3 Pt1 Pt1 77.206(8) . 2
C2 Pt2 C3 100.5(2) . .
C2 Pt2 C1 102.9(2) . .
C3 Pt2 C1 144.5(2) . .
C2 Pt2 Pt1 150.18(15) . .
C3 Pt2 Pt1 108.53(15) . .
C1 Pt2 Pt1 48.29(15) . .
C2 Pt2 Pt3 149.94(15) . .
C3 Pt2 Pt3 49.49(15) . .
C1 Pt2 Pt3 104.65(14) . .
Pt1 Pt2 Pt3 59.619(7) . .
C2 Pt2 Pt2 108.29(16) . 2
C3 Pt2 Pt2 72.47(15) . 2
C1 Pt2 Pt2 123.29(14) . 2
Pt1 Pt2 Pt2 87.276(6) . 2
Pt3 Pt2 Pt2 65.171(8) . 2
C2 Pt2 Pt3 96.49(15) . 2
C3 Pt2 Pt3 122.46(15) . 2
C1 Pt2 Pt3 80.85(14) . 2
Pt1 Pt2 Pt3 73.792(7) . 2
Pt3 Pt2 Pt3 99.452(9) . 2
Pt2 Pt2 Pt3 50.001(7) 2 2
C4 Pt3 C3 98.3(2) . .
C4 Pt3 C5 101.3(2) . .
C3 Pt3 C5 150.8(2) . .
C4 Pt3 Pt1 148.99(18) . .
C3 Pt3 Pt1 107.82(14) . .
C5 Pt3 Pt1 48.34(14) . .
C4 Pt3 Pt2 146.35(19) . .
C3 Pt3 Pt2 48.81(14) . .
C5 Pt3 Pt2 107.07(14) . .
Pt1 Pt3 Pt2 59.579(7) . .
C4 Pt3 Pt2 117.34(18) . 2
C3 Pt3 Pt2 72.05(15) . 2
C5 Pt3 Pt2 116.25(14) . 2
Pt1 Pt3 Pt2 87.073(8) . 2
Pt2 Pt3 Pt2 64.828(8) . 2
O1 C1 Pt1 144.4(4) . .
O1 C1 Pt2 135.4(4) . .
Pt1 C1 Pt2 79.4(2) . .
O2 C2 Pt2 178.3(4) . .
O3 C3 Pt2 139.4(4) . .
O3 C3 Pt3 138.8(4) . .
Pt2 C3 Pt3 81.70(19) . .
O4 C4 Pt3 170.1(5) . .
O5 C5 Pt1 142.5(4) . .
O5 C5 Pt3 136.4(4) . .
Pt1 C5 Pt3 80.68(19) . .
C101 P1 C107 101.6(2) . .
C101 P1 C113 105.4(2) . .
C107 P1 C113 100.9(2) . .
C101 P1 Pt1 113.09(17) . .
C107 P1 Pt1 116.92(17) . .
C113 P1 Pt1 116.98(16) . .
C106 C101 C102 118.8(5) . .
C106 C101 P1 123.9(4) . .
C102 C101 P1 117.3(4) . .
C103 C102 C101 121.3(5) . .
C103 C102 H102 119.3 . .
C101 C102 H102 119.3 . .
C114 C103 C102 119.1(6) . .
C114 C103 H103 120.4 . .
C102 C103 H103 120.4 . .
C114 C105 C106 119.9(5) . .
C114 C105 H105 120.0 . .
C106 C105 H105 120.0 . .
C101 C106 C105 119.9(5) . .
C101 C106 H106 120.1 . .
C105 C106 H106 120.1 . .
C112 C107 C108 119.6(5) . .
C112 C107 P1 120.8(4) . .
C108 C107 P1 119.5(4) . .
C109 C108 C107 120.0(5) . .
C109 C108 H108 120.0 . .
C107 C108 H108 120.0 . .
C110 C109 C108 120.2(6) . .
C110 C109 H109 119.9 . .
C108 C109 H109 119.9 . .
C109 C110 C111 119.7(5) . .
C109 C110 H110 120.2 . .
C111 C110 H110 120.2 . .
C110 C111 C112 120.9(5) . .
C110 C111 H111 119.5 . .
C112 C111 H111 119.5 . .
C107 C112 C111 119.5(5) . .
C107 C112 H112 120.2 . .
C111 C112 H112 120.2 . .
C113 C113 P1 115.3(4) 2 .
C113 C113 H11A 108.4 2 .
P1 C113 H11A 108.4 . .
C113 C113 H11B 108.4 2 .
P1 C113 H11B 108.4 . .
H11A C113 H11B 107.5 . .
C105 C114 C103 120.9(5) . .
C105 C114 H114 119.6 . .
C103 C114 H114 119.6 . .
C202 N1 C204 111.8(6) . .
C202 N1 C203 108.1(6) . .
C204 N1 C203 108.2(5) . .
C202 N1 C201 109.9(6) . .
C204 N1 C201 110.8(5) . .
C203 N1 C201 107.9(5) . .
N1 C201 H20A 109.5 . .
N1 C201 H20B 109.5 . .
H20A C201 H20B 109.5 . .
N1 C201 H20C 109.5 . .
H20A C201 H20C 109.5 . .
H20B C201 H20C 109.5 . .
N1 C202 H20D 109.5 . .
N1 C202 H20E 109.5 . .
H20D C202 H20E 109.5 . .
N1 C202 H20F 109.5 . .
H20D C202 H20F 109.5 . .
H20E C202 H20F 109.5 . .
N1 C203 H20G 109.5 . .
N1 C203 H20H 109.5 . .
H20G C203 H20H 109.5 . .
N1 C203 H20I 109.5 . .
H20G C203 H20I 109.5 . .
H20H C203 H20I 109.5 . .
N1 C204 H20J 109.5 . .
N1 C204 H20K 109.5 . .
H20J C204 H20K 109.5 . .
N1 C204 H20L 109.5 . .
H20J C204 H20L 109.5 . .
H20K C204 H20L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C5 2.008(5) .
Pt1 C1 2.014(6) .
Pt1 P1 2.2456(13) .
Pt1 Pt2 2.6513(3) .
Pt1 Pt3 2.6524(3) .
Pt1 Pt1 2.9839(4) 2
Pt2 C2 1.856(5) .
Pt2 C3 2.041(5) .
Pt2 C1 2.134(5) .
Pt2 Pt3 2.6839(3) .
Pt2 Pt2 3.1708(4) 2
Pt2 Pt3 3.1797(3) 2
Pt3 C4 1.861(6) .
Pt3 C3 2.062(5) .
Pt3 C5 2.088(5) .
Pt3 Pt2 3.1797(3) 2
C1 O1 1.165(6) .
C2 O2 1.147(6) .
C3 O3 1.189(6) .
C4 O4 1.139(7) .
C5 O5 1.194(6) .
P1 C101 1.828(5) .
P1 C107 1.836(5) .
P1 C113 1.842(5) .
C101 C106 1.392(7) .
C101 C102 1.392(7) .
C102 C103 1.383(8) .
C102 H102 0.9500 .
C103 C114 1.381(8) .
C103 H103 0.9500 .
C105 C114 1.373(9) .
C105 C106 1.401(7) .
C105 H105 0.9500 .
C106 H106 0.9500 .
C107 C112 1.380(7) .
C107 C108 1.401(8) .
C108 C109 1.398(8) .
C108 H108 0.9500 .
C109 C110 1.368(9) .
C109 H109 0.9500 .
C110 C111 1.389(9) .
C110 H110 0.9500 .
C111 C112 1.393(8) .
C111 H111 0.9500 .
C112 H112 0.9500 .
C113 C113 1.541(9) 2
C113 H11A 0.9900 .
C113 H11B 0.9900 .
C114 H114 0.9500 .
N1 C202 1.468(9) .
N1 C204 1.480(8) .
N1 C203 1.495(8) .
N1 C201 1.496(7) .
C201 H20A 0.9800 .
C201 H20B 0.9800 .
C201 H20C 0.9800 .
C202 H20D 0.9800 .
C202 H20E 0.9800 .
C202 H20F 0.9800 .
C203 H20G 0.9800 .
C203 H20H 0.9800 .
C203 H20I 0.9800 .
C204 H20J 0.9800 .
C204 H20K 0.9800 .
C204 H20L 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_4
C5 Pt1 Pt2 C2 -164.1(3) . .
C1 Pt1 Pt2 C2 -17.8(4) . .
P1 Pt1 Pt2 C2 0.8(3) . .
Pt3 Pt1 Pt2 C2 -174.1(3) . .
Pt1 Pt1 Pt2 C2 111.4(3) 2 .
C5 Pt1 Pt2 C3 2.1(2) . .
C1 Pt1 Pt2 C3 148.4(2) . .
P1 Pt1 Pt2 C3 167.01(18) . .
Pt3 Pt1 Pt2 C3 -7.84(16) . .
Pt1 Pt1 Pt2 C3 -82.40(16) 2 .
C5 Pt1 Pt2 C1 -146.3(2) . .
P1 Pt1 Pt2 C1 18.6(2) . .
Pt3 Pt1 Pt2 C1 -156.23(18) . .
Pt1 Pt1 Pt2 C1 129.20(18) 2 .
C5 Pt1 Pt2 Pt3 9.97(16) . .
C1 Pt1 Pt2 Pt3 156.23(18) . .
P1 Pt1 Pt2 Pt3 174.85(7) . .
Pt1 Pt1 Pt2 Pt3 -74.564(10) 2 .
C5 Pt1 Pt2 Pt2 72.63(16) . 2
C1 Pt1 Pt2 Pt2 -141.12(18) . 2
P1 Pt1 Pt2 Pt2 -122.50(7) . 2
Pt3 Pt1 Pt2 Pt2 62.651(9) . 2
Pt1 Pt1 Pt2 Pt2 -11.913(10) 2 2
C5 Pt1 Pt2 Pt3 121.61(16) . 2
C1 Pt1 Pt2 Pt3 -92.14(18) . 2
P1 Pt1 Pt2 Pt3 -73.52(7) . 2
Pt3 Pt1 Pt2 Pt3 111.633(8) . 2
Pt1 Pt1 Pt2 Pt3 37.068(8) 2 2
C5 Pt1 Pt3 C4 -14.2(4) . .
C1 Pt1 Pt3 C4 134.0(4) . .
P1 Pt1 Pt3 C4 -21.7(4) . .
Pt2 Pt1 Pt3 C4 153.8(4) . .
Pt1 Pt1 Pt3 C4 -107.4(4) 2 .
C5 Pt1 Pt3 C3 -160.2(2) . .
C1 Pt1 Pt3 C3 -12.0(2) . .
P1 Pt1 Pt3 C3 -167.74(17) . .
Pt2 Pt1 Pt3 C3 7.73(16) . .
Pt1 Pt1 Pt3 C3 106.53(16) 2 .
C1 Pt1 Pt3 C5 148.2(2) . .
P1 Pt1 Pt3 C5 -7.5(2) . .
Pt2 Pt1 Pt3 C5 167.97(19) . .
Pt1 Pt1 Pt3 C5 -93.23(19) 2 .
C5 Pt1 Pt3 Pt2 -167.97(19) . .
C1 Pt1 Pt3 Pt2 -19.77(16) . .
P1 Pt1 Pt3 Pt2 -175.47(7) . .
Pt1 Pt1 Pt3 Pt2 98.799(8) 2 .
C5 Pt1 Pt3 Pt2 129.66(19) . 2
C1 Pt1 Pt3 Pt2 -82.14(16) . 2
P1 Pt1 Pt3 Pt2 122.17(7) . 2
Pt2 Pt1 Pt3 Pt2 -62.363(8) . 2
Pt1 Pt1 Pt3 Pt2 36.436(6) 2 2
C2 Pt2 Pt3 C4 18.4(4) . .
C3 Pt2 Pt3 C4 14.5(4) . .
C1 Pt2 Pt3 C4 -137.6(4) . .
Pt1 Pt2 Pt3 C4 -155.7(3) . .
Pt2 Pt2 Pt3 C4 102.1(3) 2 .
Pt3 Pt2 Pt3 C4 139.5(3) 2 .
C2 Pt2 Pt3 C3 3.9(4) . .
C1 Pt2 Pt3 C3 -152.1(2) . .
Pt1 Pt2 Pt3 C3 -170.2(2) . .
Pt2 Pt2 Pt3 C3 87.6(2) 2 .
Pt3 Pt2 Pt3 C3 125.0(2) 2 .
C2 Pt2 Pt3 C5 164.7(3) . .
C3 Pt2 Pt3 C5 160.8(3) . .
C1 Pt2 Pt3 C5 8.7(2) . .
Pt1 Pt2 Pt3 C5 -9.37(15) . .
Pt2 Pt2 Pt3 C5 -111.53(15) 2 .
Pt3 Pt2 Pt3 C5 -74.18(15) 2 .
C2 Pt2 Pt3 Pt1 174.1(3) . .
C3 Pt2 Pt3 Pt1 170.2(2) . .
C1 Pt2 Pt3 Pt1 18.12(14) . .
Pt2 Pt2 Pt3 Pt1 -102.154(8) 2 .
Pt3 Pt2 Pt3 Pt1 -64.811(7) 2 .
C2 Pt2 Pt3 Pt2 -83.7(3) . 2
C3 Pt2 Pt3 Pt2 -87.6(2) . 2
C1 Pt2 Pt3 Pt2 120.27(14) . 2
Pt1 Pt2 Pt3 Pt2 102.154(8) . 2
Pt3 Pt2 Pt3 Pt2 37.343(8) 2 2
C5 Pt1 C1 O1 -99.4(8) . .
P1 Pt1 C1 O1 19.9(7) . .
Pt2 Pt1 C1 O1 -169.0(8) . .
Pt3 Pt1 C1 O1 -147.0(7) . .
Pt1 Pt1 C1 O1 126.5(7) 2 .
C5 Pt1 C1 Pt2 69.6(4) . .
P1 Pt1 C1 Pt2 -171.13(9) . .
Pt3 Pt1 C1 Pt2 21.92(16) . .
Pt1 Pt1 C1 Pt2 -64.54(17) 2 .
C2 Pt2 C1 O1 -18.1(6) . .
C3 Pt2 C1 O1 112.0(6) . .
Pt1 Pt2 C1 O1 170.9(7) . .
Pt3 Pt2 C1 O1 149.8(5) . .
Pt2 Pt2 C1 O1 -140.5(5) 2 .
Pt3 Pt2 C1 O1 -112.7(6) 2 .
C2 Pt2 C1 Pt1 171.01(18) . .
C3 Pt2 C1 Pt1 -58.9(4) . .
Pt3 Pt2 C1 Pt1 -21.06(16) . .
Pt2 Pt2 C1 Pt1 48.60(19) 2 .
Pt3 Pt2 C1 Pt1 76.40(12) 2 .
C3 Pt2 C2 O2 42(15) . .
C1 Pt2 C2 O2 -165(15) . .
Pt1 Pt2 C2 O2 -152(15) . .
Pt3 Pt2 C2 O2 39(15) . .
Pt2 Pt2 C2 O2 -33(15) 2 .
Pt3 Pt2 C2 O2 -83(15) 2 .
C2 Pt2 C3 O3 5.5(7) . .
C1 Pt2 C3 O3 -125.2(7) . .
Pt1 Pt2 C3 O3 -167.6(6) . .
Pt3 Pt2 C3 O3 -176.5(8) . .
Pt2 Pt2 C3 O3 111.5(7) 2 .
Pt3 Pt2 C3 O3 110.2(7) 2 .
C2 Pt2 C3 Pt3 -178.01(19) . .
C1 Pt2 C3 Pt3 51.3(4) . .
Pt1 Pt2 C3 Pt3 8.90(18) . .
Pt2 Pt2 C3 Pt3 -71.98(12) 2 .
Pt3 Pt2 C3 Pt3 -73.29(18) 2 .
C4 Pt3 C3 O3 4.6(7) . .
C5 Pt3 C3 O3 136.5(6) . .
Pt1 Pt3 C3 O3 167.7(6) . .
Pt2 Pt3 C3 O3 176.6(8) . .
Pt2 Pt3 C3 O3 -111.5(7) 2 .
C4 Pt3 C3 Pt2 -172.0(2) . .
C5 Pt3 C3 Pt2 -40.0(5) . .
Pt1 Pt3 C3 Pt2 -8.86(18) . .
Pt2 Pt3 C3 Pt2 71.90(12) 2 .
C3 Pt3 C4 O4 69(3) . .
C5 Pt3 C4 O4 -89(3) . .
Pt1 Pt3 C4 O4 -78(3) . .
Pt2 Pt3 C4 O4 58(3) . .
Pt2 Pt3 C4 O4 143(3) 2 .
C1 Pt1 C5 O5 108.6(7) . .
P1 Pt1 C5 O5 -11.8(7) . .
Pt2 Pt1 C5 O5 161.1(6) . .
Pt3 Pt1 C5 O5 172.3(8) . .
Pt1 Pt1 C5 O5 -109.7(7) 2 .
C1 Pt1 C5 Pt3 -63.7(4) . .
P1 Pt1 C5 Pt3 175.94(11) . .
Pt2 Pt1 C5 Pt3 -11.22(18) . .
Pt1 Pt1 C5 Pt3 78.02(12) 2 .
C4 Pt3 C5 O5 -0.6(6) . .
C3 Pt3 C5 O5 -131.9(6) . .
Pt1 Pt3 C5 O5 -173.2(7) . .
Pt2 Pt3 C5 O5 -162.4(6) . .
Pt2 Pt3 C5 O5 127.8(6) 2 .
C4 Pt3 C5 Pt1 172.6(2) . .
C3 Pt3 C5 Pt1 41.3(5) . .
Pt2 Pt3 C5 Pt1 10.83(17) . .
Pt2 Pt3 C5 Pt1 -59.01(17) 2 .
C5 Pt1 P1 C101 53.7(2) . .
C1 Pt1 P1 C101 -97.2(2) . .
Pt2 Pt1 P1 C101 -112.13(19) . .
Pt3 Pt1 P1 C101 59.5(2) . .
Pt1 Pt1 P1 C101 139.00(18) 2 .
C5 Pt1 P1 C107 171.1(2) . .
C1 Pt1 P1 C107 20.2(3) . .
Pt2 Pt1 P1 C107 5.3(2) . .
Pt3 Pt1 P1 C107 176.99(19) . .
Pt1 Pt1 P1 C107 -103.5(2) 2 .
C5 Pt1 P1 C113 -69.1(2) . .
C1 Pt1 P1 C113 140.0(2) . .
Pt2 Pt1 P1 C113 125.07(18) . .
Pt3 Pt1 P1 C113 -63.3(2) . .
Pt1 Pt1 P1 C113 16.20(19) 2 .
C107 P1 C101 C106 111.1(5) . .
C113 P1 C101 C106 6.3(5) . .
Pt1 P1 C101 C106 -122.7(4) . .
C107 P1 C101 C102 -67.6(4) . .
C113 P1 C101 C102 -172.4(4) . .
Pt1 P1 C101 C102 58.6(4) . .
C106 C101 C102 C103 -2.0(8) . .
P1 C101 C102 C103 176.8(4) . .
C101 C102 C103 C114 1.3(9) . .
C102 C101 C106 C105 0.5(8) . .
P1 C101 C106 C105 -178.2(4) . .
C114 C105 C106 C101 1.7(8) . .
C101 P1 C107 C112 158.5(4) . .
C113 P1 C107 C112 -93.1(5) . .
Pt1 P1 C107 C112 34.9(5) . .
C101 P1 C107 C108 -24.7(5) . .
C113 P1 C107 C108 83.7(5) . .
Pt1 P1 C107 C108 -148.3(4) . .
C112 C107 C108 C109 -0.8(8) . .
P1 C107 C108 C109 -177.7(4) . .
C107 C108 C109 C110 -0.3(9) . .
C108 C109 C110 C111 0.8(9) . .
C109 C110 C111 C112 -0.3(9) . .
C108 C107 C112 C111 1.3(8) . .
P1 C107 C112 C111 178.1(4) . .
C110 C111 C112 C107 -0.7(9) . .
C101 P1 C113 C113 -80.1(4) . 2
C107 P1 C113 C113 174.5(4) . 2
Pt1 P1 C113 C113 46.5(4) . 2
C106 C105 C114 C103 -2.5(9) . .
C102 C103 C114 C105 1.0(9) . .
