#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:20:45 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179447 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/44/4334462.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_4334462
loop_
_publ_author_name
'Iacopo Ciabatti'
'Cristina Femoni'
'Maria Carmela Iapalucci'
'Giuliano Longoni'
'Tatiana Lovato'
'Stefano Zacchini'
_publ_section_title
;
 PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses,
 Structures, and 31P NMR Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4384
_journal_page_last               4395
_journal_paper_doi               10.1021/ic3025414
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C74 H70 N2 O22 P2 Pt12'
_chemical_formula_weight         3742.34
_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                 105.5300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5382(13)
_cell_length_b                   20.7765(17)
_cell_length_c                   27.887(3)
_cell_measurement_reflns_used    4142
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      21.8125
_cell_measurement_theta_min      2.4785
_cell_volume                     8674.1(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0843
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            41538
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    19.371
_exptl_absorpt_correction_T_max  0.2475
_exptl_absorpt_correction_T_min  0.1476
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.866
_exptl_crystal_description       plate
_exptl_crystal_F_000             6680
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.296
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         7665
_refine_ls_number_restraints     318
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0444
_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)+(0.0427P)²+5.8514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                4062
_reflns_number_total             7665
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3025414_si_001_4.cif
_cod_data_source_block           c2c_[NEt4]2[Pt12(CO)23(PPh3)]
_cod_original_cell_volume        8674.2(13)
_cod_database_code               4334462
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 0.09095(4) 0.24944(3) 0.10312(2) 0.06341(18) Uani 1 1 d . . .
Pt2 Pt 0.21270(5) 0.33198(4) 0.15522(3) 0.0855(2) Uani 1 1 d U . .
Pt3 Pt 0.05935(5) 0.37623(3) 0.09689(3) 0.0877(2) Uani 1 1 d U . .
Pt4 Pt -0.03573(4) 0.36970(3) 0.17913(2) 0.0700(2) Uani 1 1 d . . .
Pt5 Pt 0.12221(4) 0.33457(3) 0.23842(2) 0.0700(2) Uani 1 1 d . . .
Pt6 Pt 0.00556(4) 0.24581(3) 0.19341(2) 0.05919(18) Uani 1 1 d . . .
C1 C -0.0009(12) 0.2977(9) 0.0538(7) 0.097(4) Uani 1 1 d U . .
C2 C -0.0054(14) 0.4419(11) 0.0647(8) 0.134(4) Uani 1 1 d U . .
C3 C 0.1684(14) 0.4247(11) 0.1315(8) 0.132(4) Uani 1 1 d U . .
C4 C 0.3212(16) 0.3463(12) 0.1898(9) 0.148(5) Uani 1 1 d U . .
C5 C 0.2176(12) 0.2361(10) 0.1402(7) 0.097(4) Uani 1 1 d U . .
C6 C -0.0381(11) 0.1625(8) 0.1879(7) 0.086(4) Uani 1 1 d U . .
C7 C -0.1069(11) 0.2885(8) 0.1499(6) 0.085(4) Uani 1 1 d U . .
C8 C -0.1140(14) 0.4351(10) 0.1525(7) 0.117(4) Uani 1 1 d U . .
C9 C 0.0712(14) 0.4237(10) 0.2159(7) 0.105(4) Uani 1 1 d U . .
C10 C 0.2295(13) 0.3533(9) 0.2812(7) 0.107(4) Uani 1 1 d U . .
C11 C 0.1366(10) 0.2348(9) 0.2369(6) 0.081(4) Uani 1 1 d U . .
O1 O -0.0525(8) 0.2942(6) 0.0134(4) 0.104(3) Uani 1 1 d U . .
O2 O -0.0575(9) 0.4752(7) 0.0373(6) 0.148(4) Uani 1 1 d U . .
O3 O 0.2061(9) 0.4752(7) 0.1376(5) 0.139(4) Uani 1 1 d U . .
O4 O 0.3976(11) 0.3506(8) 0.2140(6) 0.157(5) Uani 1 1 d U . .
O5 O 0.2750(7) 0.1945(6) 0.1461(5) 0.103(4) Uani 1 1 d U . .
O6 O -0.0730(7) 0.1128(5) 0.1868(4) 0.092(3) Uani 1 1 d U . .
O7 O -0.1765(7) 0.2728(5) 0.1229(4) 0.089(3) Uani 1 1 d U . .
O8 O -0.1610(9) 0.4784(6) 0.1389(5) 0.126(4) Uani 1 1 d U . .
O9 O 0.0920(9) 0.4779(6) 0.2233(5) 0.110(4) Uani 1 1 d U . .
O10 O 0.2988(8) 0.3616(6) 0.3097(5) 0.117(4) Uani 1 1 d U . .
O11 O 0.1889(7) 0.1944(5) 0.2522(4) 0.085(3) Uani 1 1 d U . .
P1 P 0.0581(3) 0.14876(19) 0.07079(14) 0.0620(11) Uani 1 1 d . . .
C21 C -0.0502(11) 0.1410(8) 0.0255(6) 0.081(3) Uani 1 1 d U . .
C22 C -0.1240(10) 0.1648(8) 0.0388(6) 0.087(3) Uani 1 1 d U . .
H22 H -0.1163 0.1832 0.0700 0.104 Uiso 1 1 calc R . .
C23 C -0.2091(11) 0.1617(8) 0.0065(6) 0.093(3) Uani 1 1 d U . .
H23 H -0.2579 0.1783 0.0157 0.111 Uiso 1 1 calc RD . .
C24 C -0.2203(12) 0.1331(8) -0.0404(6) 0.094(3) Uani 1 1 d U . .
H24 H -0.2767 0.1290 -0.0624 0.113 Uiso 1 1 calc R . .
C25 C -0.1456(11) 0.1113(8) -0.0526(6) 0.089(3) Uani 1 1 d U . .
H25 H -0.1516 0.0940 -0.0841 0.107 Uiso 1 1 calc R . .
C26 C -0.0628(10) 0.1143(8) -0.0200(6) 0.083(3) Uani 1 1 d U . .
H26 H -0.0141 0.0977 -0.0292 0.099 Uiso 1 1 calc R . .
C27 C 0.0592(11) 0.0805(8) 0.1128(6) 0.080(3) Uani 1 1 d U . .
C28 C -0.0055(11) 0.0341(7) 0.1013(6) 0.082(3) Uani 1 1 d U . .
H28 H -0.0494 0.0355 0.0711 0.099 Uiso 1 1 calc R . .
C29 C -0.0051(11) -0.0152(8) 0.1350(6) 0.088(3) Uani 1 1 d U . .
H29 H -0.0498 -0.0462 0.1275 0.105 Uiso 1 1 calc R . .
C30 C 0.0589(11) -0.0188(8) 0.1785(6) 0.091(3) Uani 1 1 d U . .
H30 H 0.0590 -0.0523 0.2006 0.109 Uiso 1 1 calc R . .
C31 C 0.1222(12) 0.0263(8) 0.1893(7) 0.092(3) Uani 1 1 d U . .
H31 H 0.1666 0.0231 0.2191 0.111 Uiso 1 1 calc R . .
C32 C 0.1248(11) 0.0785(8) 0.1577(6) 0.085(3) Uani 1 1 d U . .
H32 H 0.1684 0.1102 0.1665 0.101 Uiso 1 1 calc R . .
C33 C 0.1344(10) 0.1263(8) 0.0347(6) 0.079(3) Uani 1 1 d U . .
C34 C 0.1616(10) 0.1705(8) 0.0067(6) 0.084(3) Uani 1 1 d U . .
H34 H 0.1452 0.2134 0.0077 0.101 Uiso 1 1 calc R . .
C35 C 0.2144(10) 0.1512(8) -0.0238(6) 0.088(3) Uani 1 1 d U . .
H35 H 0.2315 0.1814 -0.0440 0.105 Uiso 1 1 calc R . .
C36 C 0.2417(11) 0.0885(9) -0.0246(6) 0.088(3) Uani 1 1 d U . .
H36 H 0.2794 0.0771 -0.0440 0.105 Uiso 1 1 calc R . .
C37 C 0.2141(10) 0.0437(8) 0.0025(5) 0.086(3) Uani 1 1 d U . .
H37 H 0.2297 0.0008 0.0008 0.103 Uiso 1 1 calc R . .
C38 C 0.1627(10) 0.0624(8) 0.0327(6) 0.083(3) Uani 1 1 d U . .
H38 H 0.1458 0.0317 0.0527 0.099 Uiso 1 1 calc R . .
N1 N 0.9421(11) 0.3278(8) 0.8628(6) 0.126(4) Uani 1 1 d DU . .
C101 C 0.8448(14) 0.325(3) 0.841(3) 0.135(5) Uiso 0.179(9) 1 d PDU A 1
H10A H 0.8147 0.3210 0.8670 0.162 Uiso 0.179(9) 1 calc PR A 1
H10B H 0.8296 0.2881 0.8190 0.162 Uiso 0.179(9) 1 calc PR A 1
C102 C 0.815(5) 0.387(4) 0.811(4) 0.138(11) Uiso 0.179(9) 1 d PDU A 1
H10C H 0.7583 0.3803 0.7879 0.207 Uiso 0.179(9) 1 calc PR A 1
H10D H 0.8585 0.3988 0.7940 0.207 Uiso 0.179(9) 1 calc PR A 1
H10E H 0.8103 0.4211 0.8338 0.207 Uiso 0.179(9) 1 calc PR A 1
C103 C 0.976(4) 0.344(3) 0.9160(9) 0.133(5) Uiso 0.179(9) 1 d PDU A 1
H10F H 1.0263 0.3727 0.9206 0.159 Uiso 0.179(9) 1 calc PR A 1
H10G H 0.9967 0.3046 0.9346 0.159 Uiso 0.179(9) 1 calc PR A 1
C104 C 0.903(6) 0.375(5) 0.936(3) 0.135(8) Uiso 0.179(9) 1 d PDU A 1
H10H H 0.9236 0.3773 0.9717 0.203 Uiso 0.179(9) 1 calc PR A 1
H10I H 0.8499 0.3498 0.9265 0.203 Uiso 0.179(9) 1 calc PR A 1
H10J H 0.8916 0.4176 0.9227 0.203 Uiso 0.179(9) 1 calc PR A 1
C105 C 0.971(4) 0.380(3) 0.835(2) 0.133(6) Uiso 0.179(9) 1 d PDU A 1
H10K H 0.9222 0.4102 0.8232 0.159 Uiso 0.179(9) 1 calc PR A 1
H10L H 0.9873 0.3627 0.8066 0.159 Uiso 0.179(9) 1 calc PR A 1
C106 C 1.052(5) 0.417(4) 0.868(4) 0.136(9) Uiso 0.179(9) 1 d PDU A 1
H10M H 1.0842 0.4368 0.8469 0.204 Uiso 0.179(9) 1 calc PR A 1
H10N H 1.0897 0.3876 0.8903 0.204 Uiso 0.179(9) 1 calc PR A 1
H10O H 1.0308 0.4497 0.8863 0.204 Uiso 0.179(9) 1 calc PR A 1
C107 C 0.981(4) 0.265(2) 0.854(2) 0.131(5) Uiso 0.179(9) 1 d PDU A 1
H10P H 1.0147 0.2721 0.8302 0.157 Uiso 0.179(9) 1 calc PR A 1
H10Q H 0.9319 0.2366 0.8394 0.157 Uiso 0.179(9) 1 calc PR A 1
C108 C 1.042(7) 0.231(4) 0.899(3) 0.133(7) Uiso 0.179(9) 1 d PDU A 1
H10R H 1.0463 0.1864 0.8916 0.200 Uiso 0.179(9) 1 calc PR A 1
H10S H 1.0166 0.2347 0.9273 0.200 Uiso 0.179(9) 1 calc PR A 1
H10T H 1.0997 0.2504 0.9076 0.200 Uiso 0.179(9) 1 calc PR A 1
C111 C 0.9028(17) 0.3129(10) 0.8096(7) 0.138(5) Uiso 0.821(9) 1 d PDU A 2
H11A H 0.8455 0.2921 0.8060 0.166 Uiso 0.821(9) 1 calc PR A 2
H11B H 0.9413 0.2824 0.7990 0.166 Uiso 0.821(9) 1 calc PR A 2
C112 C 0.8894(16) 0.3712(11) 0.7755(9) 0.144(8) Uiso 0.821(9) 1 d PDU A 2
H11C H 0.8645 0.3577 0.7417 0.215 Uiso 0.821(9) 1 calc PR A 2
H11D H 0.9459 0.3919 0.7784 0.215 Uiso 0.821(9) 1 calc PR A 2
H11E H 0.8493 0.4010 0.7848 0.215 Uiso 0.821(9) 1 calc PR A 2
C113 C 0.8954(13) 0.3747(10) 0.8863(9) 0.135(5) Uiso 0.821(9) 1 d PDU A 2
H11F H 0.8986 0.4164 0.8713 0.162 Uiso 0.821(9) 1 calc PR A 2
H11G H 0.9278 0.3780 0.9212 0.162 Uiso 0.821(9) 1 calc PR A 2
C114 C 0.7976(13) 0.3611(12) 0.8834(9) 0.136(7) Uiso 0.821(9) 1 d PDU A 2
H11H H 0.7742 0.3953 0.8993 0.204 Uiso 0.821(9) 1 calc PR A 2
H11I H 0.7931 0.3211 0.8999 0.204 Uiso 0.821(9) 1 calc PR A 2
H11J H 0.7640 0.3582 0.8491 0.204 Uiso 0.821(9) 1 calc PR A 2
C115 C 1.0335(12) 0.3507(12) 0.8676(8) 0.135(5) Uiso 0.821(9) 1 d PDU A 2
H11K H 1.0302 0.3918 0.8506 0.161 Uiso 0.821(9) 1 calc PR A 2
H11L H 1.0629 0.3206 0.8505 0.161 Uiso 0.821(9) 1 calc PR A 2
C116 C 1.0913(16) 0.3589(13) 0.9207(8) 0.149(8) Uiso 0.821(9) 1 d PDU A 2
H11M H 1.1502 0.3724 0.9202 0.223 Uiso 0.821(9) 1 calc PR A 2
H11N H 1.0950 0.3187 0.9381 0.223 Uiso 0.821(9) 1 calc PR A 2
H11O H 1.0652 0.3909 0.9374 0.223 Uiso 0.821(9) 1 calc PR A 2
C117 C 0.9419(15) 0.2653(9) 0.8887(8) 0.131(5) Uiso 0.821(9) 1 d PDU A 2
H11P H 0.8804 0.2512 0.8822 0.158 Uiso 0.821(9) 1 calc PR A 2
H11Q H 0.9634 0.2732 0.9241 0.158 Uiso 0.821(9) 1 calc PR A 2
C118 C 0.9959(15) 0.2094(11) 0.8761(9) 0.132(6) Uiso 0.821(9) 1 d PDU A 2
H11R H 0.9893 0.1724 0.8955 0.198 Uiso 0.821(9) 1 calc PR A 2
H11S H 1.0577 0.2213 0.8837 0.198 Uiso 0.821(9) 1 calc PR A 2
H11T H 0.9744 0.1994 0.8413 0.198 Uiso 0.821(9) 1 calc PR A 2
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_3
C1 Pt1 C5 150.2(8) .
C1 Pt1 P1 98.5(6) .
C5 Pt1 P1 99.5(6) .
C1 Pt1 Pt2 109.1(6) .
C5 Pt1 Pt2 49.2(6) .
P1 Pt1 Pt2 148.58(10) .
C1 Pt1 Pt3 50.8(6) .
C5 Pt1 Pt3 108.1(6) .
P1 Pt1 Pt3 149.22(10) .
Pt2 Pt1 Pt3 59.68(3) .
C1 Pt1 Pt6 100.9(5) .
C5 Pt1 Pt6 98.7(5) .
P1 Pt1 Pt6 101.34(10) .
Pt2 Pt1 Pt6 88.23(2) .
Pt3 Pt1 Pt6 88.06(2) .
C4 Pt2 C5 101.4(9) .
C4 Pt2 C3 101.9(10) .
C5 Pt2 C3 149.4(8) .
C4 Pt2 Pt3 149.4(8) .
C5 Pt2 Pt3 106.8(5) .
C3 Pt2 Pt3 47.5(6) .
C4 Pt2 Pt1 148.8(8) .
C5 Pt2 Pt1 47.4(5) .
C3 Pt2 Pt1 107.1(6) .
Pt3 Pt2 Pt1 60.18(3) .
C4 Pt2 Pt5 98.8(8) .
C5 Pt2 Pt5 103.0(5) .
C3 Pt2 Pt5 92.6(6) .
Pt3 Pt2 Pt5 86.48(3) .
Pt1 Pt2 Pt5 91.25(3) .
C2 Pt3 C3 98.6(9) .
C2 Pt3 C1 101.6(8) .
C3 Pt3 C1 150.1(8) .
C2 Pt3 Pt2 149.5(7) .
C3 Pt3 Pt2 51.0(6) .
C1 Pt3 Pt2 105.7(5) .
C2 Pt3 Pt1 148.4(7) .
C3 Pt3 Pt1 110.5(6) .
C1 Pt3 Pt1 46.8(5) .
Pt2 Pt3 Pt1 60.14(2) .
C2 Pt3 Pt4 95.2(7) .
C3 Pt3 Pt4 100.4(6) .
C1 Pt3 Pt4 99.5(5) .
Pt2 Pt3 Pt4 93.42(3) .
Pt1 Pt3 Pt4 91.42(2) .
C8 Pt4 C9 99.1(9) .
C8 Pt4 C7 102.6(8) .
C9 Pt4 C7 158.0(7) .
C8 Pt4 Pt6 151.9(7) .
C9 Pt4 Pt6 109.0(6) .
C7 Pt4 Pt6 49.4(5) .
C8 Pt4 Pt5 148.2(7) .
C9 Pt4 Pt5 49.3(6) .
C7 Pt4 Pt5 109.2(5) .
Pt6 Pt4 Pt5 59.79(2) .
C8 Pt4 Pt3 93.7(6) .
C9 Pt4 Pt3 82.0(5) .
C7 Pt4 Pt3 93.2(5) .
Pt6 Pt4 Pt3 90.55(2) .
Pt5 Pt4 Pt3 85.86(3) .
C8 Pt4 Pt5 96.0(6) 2
C9 Pt4 Pt5 102.5(5) 2
C7 Pt4 Pt5 78.7(5) 2
Pt6 Pt4 Pt5 78.01(2) 2
Pt5 Pt4 Pt5 89.15(3) 2
Pt3 Pt4 Pt5 168.53(3) 2
C10 Pt5 C9 102.7(9) .
C10 Pt5 C11 98.1(8) .
C9 Pt5 C11 158.1(7) .
C10 Pt5 Pt6 148.4(7) .
C9 Pt5 Pt6 108.9(6) .
C11 Pt5 Pt6 50.5(4) .
C10 Pt5 Pt4 151.7(7) .
C9 Pt5 Pt4 49.1(6) .
C11 Pt5 Pt4 110.2(4) .
Pt6 Pt5 Pt4 59.90(2) .
C10 Pt5 Pt2 88.5(6) .
C9 Pt5 Pt2 90.1(5) .
C11 Pt5 Pt2 83.8(4) .
Pt6 Pt5 Pt2 91.36(2) .
Pt4 Pt5 Pt2 93.95(3) .
C10 Pt5 Pt4 88.1(6) 2
C9 Pt5 Pt4 78.5(5) 2
C11 Pt5 Pt4 108.9(4) 2
Pt6 Pt5 Pt4 98.05(2) 2
Pt4 Pt5 Pt4 83.32(3) 2
Pt2 Pt5 Pt4 167.14(3) 2
C6 Pt6 C7 96.9(7) .
C6 Pt6 C11 103.0(7) .
C7 Pt6 C11 160.0(7) .
C6 Pt6 Pt5 151.4(6) .
C7 Pt6 Pt5 110.3(5) .
C11 Pt6 Pt5 50.5(5) .
C6 Pt6 Pt4 145.6(5) .
C7 Pt6 Pt4 50.0(5) .
C11 Pt6 Pt4 110.6(5) .
Pt5 Pt6 Pt4 60.31(2) .
C6 Pt6 Pt1 100.4(5) .
C7 Pt6 Pt1 89.5(5) .
C11 Pt6 Pt1 85.0(4) .
Pt5 Pt6 Pt1 88.91(2) .
Pt4 Pt6 Pt1 89.62(2) .
C6 Pt6 Pt6 88.0(5) 2
C7 Pt6 Pt6 108.7(5) 2
C11 Pt6 Pt6 74.2(4) 2
Pt5 Pt6 Pt6 75.20(2) 2
Pt4 Pt6 Pt6 94.189(18) 2
Pt1 Pt6 Pt6 158.95(3) 2
O1 C1 Pt1 143.5(16) .
O1 C1 Pt3 132.1(15) .
Pt1 C1 Pt3 82.4(7) .
O2 C2 Pt3 166(2) .
O3 C3 Pt3 147.1(19) .
O3 C3 Pt2 131.1(18) .
Pt3 C3 Pt2 81.5(8) .
O4 C4 Pt2 174(2) .
O5 C5 Pt1 139.1(16) .
O5 C5 Pt2 136.9(15) .
Pt1 C5 Pt2 83.4(8) .
O6 C6 Pt6 172.3(15) .
O7 C7 Pt6 138.4(14) .
O7 C7 Pt4 141.0(14) .
Pt6 C7 Pt4 80.7(6) .
O8 C8 Pt4 175(2) .
O9 C9 Pt4 139.8(18) .
O9 C9 Pt5 138.5(18) .
Pt4 C9 Pt5 81.6(7) .
O10 C10 Pt5 176.0(19) .
O11 C11 Pt6 140.1(15) .
O11 C11 Pt5 140.9(14) .
Pt6 C11 Pt5 79.0(6) .
C33 P1 C21 102.3(7) .
C33 P1 C27 105.1(7) .
C21 P1 C27 102.9(8) .
C33 P1 Pt1 110.2(6) .
C21 P1 Pt1 115.0(6) .
C27 P1 Pt1 119.6(6) .
C26 C21 C22 118.3(16) .
C26 C21 P1 124.3(14) .
C22 C21 P1 117.4(13) .
C21 C22 C23 121.6(17) .
C21 C22 H22 119.2 .
C23 C22 H22 119.2 .
C22 C23 C24 118.9(17) .
C22 C23 H23 120.6 .
C24 C23 H23 120.6 .
C25 C24 C23 118.0(17) .
C25 C24 H24 121.0 .
C23 C24 H24 121.0 .
C26 C25 C24 121.9(17) .
C26 C25 H25 119.0 .
C24 C25 H25 119.0 .
C21 C26 C25 121.3(17) .
C21 C26 H26 119.4 .
C25 C26 H26 119.4 .
C28 C27 C32 120.4(16) .
C28 C27 P1 121.0(13) .
C32 C27 P1 118.6(13) .
C27 C28 C29 119.4(16) .
C27 C28 H28 120.3 .
C29 C28 H28 120.3 .
C30 C29 C28 121.2(18) .
C30 C29 H29 119.4 .
C28 C29 H29 119.4 .
C31 C30 C29 119.1(18) .
C31 C30 H30 120.5 .
C29 C30 H30 120.5 .
C30 C31 C32 123.0(18) .
C30 C31 H31 118.5 .
C32 C31 H31 118.5 .
C27 C32 C31 116.9(17) .
C27 C32 H32 121.6 .
C31 C32 H32 121.6 .
C34 C33 C38 118.0(14) .
C34 C33 P1 120.2(13) .
C38 C33 P1 121.7(12) .
C33 C34 C35 119.2(17) .
C33 C34 H34 120.4 .
C35 C34 H34 120.4 .
C36 C35 C34 121.4(16) .
C36 C35 H35 119.3 .
C34 C35 H35 119.3 .
C37 C36 C35 120.2(16) .
C37 C36 H36 119.9 .
C35 C36 H36 119.9 .
C36 C37 C38 118.7(17) .
C36 C37 H37 120.6 .
C38 C37 H37 120.6 .
C37 C38 C33 122.4(16) .
C37 C38 H38 118.8 .
C33 C38 H38 118.8 .
C115 N1 C113 109.0(17) .
C115 N1 C101 155(3) .
C113 N1 C101 69(3) .
C115 N1 C103 76(3) .
C113 N1 C103 59(2) .
C101 N1 C103 118(3) .
C115 N1 C107 83(3) .
C113 N1 C107 158(3) .
C101 N1 C107 109(3) .
C103 N1 C107 108(2) .
C115 N1 C111 106.8(17) .
C113 N1 C111 117.8(18) .
C101 N1 C111 58(3) .
C103 N1 C111 177(3) .
C107 N1 C111 75(2) .
C115 N1 C105 52(2) .
C113 N1 C105 90(4) .
C101 N1 C105 104(3) .
C103 N1 C105 106(3) .
C107 N1 C105 112(3) .
C111 N1 C105 75(3) .
C115 N1 C117 111.5(17) .
C113 N1 C117 107.3(15) .
C101 N1 C117 92(3) .
C103 N1 C117 76(3) .
C107 N1 C117 50(3) .
C111 N1 C117 104.5(16) .
C105 N1 C117 160(3) .
N1 C101 C102 109(3) .
N1 C101 H10A 110.0 .
C102 C101 H10A 110.0 .
N1 C101 H10B 110.0 .
C102 C101 H10B 110.0 .
H10A C101 H10B 108.3 .
C101 C102 H10C 109.5 .
C101 C102 H10D 109.5 .
H10C C102 H10D 109.5 .
C101 C102 H10E 109.5 .
H10C C102 H10E 109.5 .
H10D C102 H10E 109.5 .
N1 C103 C104 111(3) .
N1 C103 H10F 109.3 .
C104 C103 H10F 109.3 .
N1 C103 H10G 109.3 .
C104 C103 H10G 109.3 .
H10F C103 H10G 108.0 .
C103 C104 H10H 109.5 .
C103 C104 H10I 109.5 .
H10H C104 H10I 109.5 .
C103 C104 H10J 109.5 .
H10H C104 H10J 109.5 .
H10I C104 H10J 109.5 .
N1 C105 C106 112(3) .
N1 C105 H10K 109.2 .
C106 C105 H10K 109.2 .
N1 C105 H10L 109.2 .
C106 C105 H10L 109.2 .
H10K C105 H10L 107.9 .
C105 C106 H10M 109.5 .
C105 C106 H10N 109.5 .
H10M C106 H10N 109.5 .
C105 C106 H10O 109.5 .
H10M C106 H10O 109.5 .
H10N C106 H10O 109.5 .
N1 C107 C108 118(3) .
N1 C107 H10P 107.8 .
C108 C107 H10P 107.8 .
N1 C107 H10Q 107.8 .
C108 C107 H10Q 107.8 .
H10P C107 H10Q 107.1 .
C107 C108 H10R 109.5 .
C107 C108 H10S 109.5 .
H10R C108 H10S 109.5 .
C107 C108 H10T 109.5 .
H10R C108 H10T 109.5 .
H10S C108 H10T 109.5 .
N1 C111 C112 114.3(18) .
N1 C111 H11A 108.7 .
C112 C111 H11A 108.7 .
N1 C111 H11B 108.7 .
C112 C111 H11B 108.7 .
H11A C111 H11B 107.6 .
C111 C112 H11C 109.5 .
C111 C112 H11D 109.5 .
H11C C112 H11D 109.5 .
C111 C112 H11E 109.5 .
H11C C112 H11E 109.5 .
H11D C112 H11E 109.5 .
N1 C113 C114 117.2(18) .
N1 C113 H11F 108.0 .
C114 C113 H11F 108.0 .
N1 C113 H11G 108.0 .
C114 C113 H11G 108.0 .
H11F C113 H11G 107.3 .
C113 C114 H11H 109.5 .
C113 C114 H11I 109.5 .
H11H C114 H11I 109.5 .
C113 C114 H11J 109.5 .
H11H C114 H11J 109.5 .
H11I C114 H11J 109.5 .
N1 C115 C116 115.4(19) .
N1 C115 H11K 108.4 .
C116 C115 H11K 108.4 .
N1 C115 H11L 108.4 .
C116 C115 H11L 108.4 .
H11K C115 H11L 107.5 .
C115 C116 H11M 109.5 .
C115 C116 H11N 109.5 .
H11M C116 H11N 109.5 .
C115 C116 H11O 109.5 .
H11M C116 H11O 109.5 .
H11N C116 H11O 109.5 .
N1 C117 C118 118.7(17) .
N1 C117 H11P 107.6 .
C118 C117 H11P 107.6 .
N1 C117 H11Q 107.6 .
C118 C117 H11Q 107.6 .
H11P C117 H11Q 107.1 .
C117 C118 H11R 109.5 .
C117 C118 H11S 109.5 .
H11R C118 H11S 109.5 .
C117 C118 H11T 109.5 .
H11R C118 H11T 109.5 .
H11S C118 H11T 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 1.970(18) .
Pt1 C5 1.983(18) .
Pt1 P1 2.281(4) .
Pt1 Pt2 2.6756(9) .
Pt1 Pt3 2.6767(9) .
Pt1 Pt6 3.1458(8) .
Pt2 C4 1.73(2) .
Pt2 C5 2.04(2) .
Pt2 C3 2.09(2) .
Pt2 Pt3 2.6633(11) .
Pt2 Pt5 3.0184(9) .
Pt3 C2 1.79(2) .
Pt3 C3 1.99(2) .
Pt3 C1 2.09(2) .
Pt3 Pt4 3.0456(9) .
Pt4 C8 1.843(19) .
Pt4 C9 2.04(2) .
Pt4 C7 2.062(17) .
Pt4 Pt6 2.6569(9) .
Pt4 Pt5 2.6677(9) .
Pt4 Pt5 3.0462(8) 2
Pt5 C10 1.813(18) .
Pt5 C9 2.05(2) .
Pt5 C11 2.087(18) .
Pt5 Pt6 2.6539(9) .
Pt5 Pt4 3.0462(8) 2
Pt6 C6 1.851(17) .
Pt6 C7 2.043(17) .
Pt6 C11 2.085(16) .
Pt6 Pt6 3.2067(11) 2
C1 O1 1.199(18) .
C2 O2 1.18(2) .
C3 O3 1.19(2) .
C4 O4 1.20(2) .
C5 O5 1.222(19) .
C6 O6 1.162(17) .
C7 O7 1.187(17) .
C8 O8 1.156(18) .
C9 O9 1.174(19) .
C10 O10 1.168(19) .
C11 O11 1.167(17) .
P1 C33 1.808(15) .
P1 C21 1.821(16) .
P1 C27 1.836(16) .
C21 C26 1.349(19) .
C21 C22 1.39(2) .
C22 C23 1.388(19) .
C22 H22 0.9300 .
C23 C24 1.40(2) .
C23 H23 0.9300 .
C24 C25 1.37(2) .
C24 H24 0.9300 .
C25 C26 1.365(19) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C28 1.37(2) .
C27 C32 1.39(2) .
C28 C29 1.389(19) .
C28 H28 0.9300 .
C29 C30 1.35(2) .
C29 H29 0.9300 .
C30 C31 1.33(2) .
C30 H30 0.9300 .
C31 C32 1.40(2) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.344(19) .
C33 C38 1.41(2) .
C34 C35 1.389(18) .
C34 H34 0.9300 .
C35 C36 1.37(2) .
C35 H35 0.9300 .
C36 C37 1.340(19) .
C36 H36 0.9300 .
C37 C38 1.361(18) .
C37 H37 0.9300 .
C38 H38 0.9300 .
N1 C115 1.471(9) .
N1 C113 1.471(9) .
N1 C101 1.471(9) .
N1 C103 1.473(9) .
N1 C107 1.473(9) .
N1 C111 1.476(9) .
N1 C105 1.477(9) .
N1 C117 1.486(9) .
C101 C102 1.531(9) .
C101 H10A 0.9700 .
C101 H10B 0.9700 .
C102 H10C 0.9600 .
C102 H10D 0.9600 .
C102 H10E 0.9600 .
C103 C104 1.532(9) .
C103 H10F 0.9700 .
C103 H10G 0.9700 .
C104 H10H 0.9600 .
C104 H10I 0.9600 .
C104 H10J 0.9600 .
C105 C106 1.532(9) .
C105 H10K 0.9700 .
C105 H10L 0.9700 .
C106 H10M 0.9600 .
C106 H10N 0.9600 .
C106 H10O 0.9600 .
C107 C108 1.529(9) .
C107 H10P 0.9700 .
C107 H10Q 0.9700 .
C108 H10R 0.9600 .
C108 H10S 0.9600 .
C108 H10T 0.9600 .
C111 C112 1.522(9) .
C111 H11A 0.9700 .
C111 H11B 0.9700 .
C112 H11C 0.9600 .
C112 H11D 0.9600 .
C112 H11E 0.9600 .
C113 C114 1.526(9) .
C113 H11F 0.9700 .
C113 H11G 0.9700 .
C114 H11H 0.9600 .
C114 H11I 0.9600 .
C114 H11J 0.9600 .
C115 C116 1.523(9) .
C115 H11K 0.9700 .
C115 H11L 0.9700 .
C116 H11M 0.9600 .
C116 H11N 0.9600 .
C116 H11O 0.9600 .
C117 C118 1.526(9) .
C117 H11P 0.9700 .
C117 H11Q 0.9700 .
C118 H11R 0.9600 .
C118 H11S 0.9600 .
C118 H11T 0.9600 .
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
C1 Pt1 Pt2 C4 -153.2(15) . .
C5 Pt1 Pt2 C4 2.8(16) . .
P1 Pt1 Pt2 C4 -3.2(15) . .
Pt3 Pt1 Pt2 C4 -165.3(15) . .
Pt6 Pt1 Pt2 C4 105.9(15) . .
C1 Pt1 Pt2 C5 -156.0(9) . .
P1 Pt1 Pt2 C5 -6.0(7) . .
Pt3 Pt1 Pt2 C5 -168.1(7) . .
Pt6 Pt1 Pt2 C5 103.1(7) . .
C1 Pt1 Pt2 C3 4.2(8) . .
C5 Pt1 Pt2 C3 160.2(9) . .
P1 Pt1 Pt2 C3 154.2(6) . .
Pt3 Pt1 Pt2 C3 -7.9(6) . .
Pt6 Pt1 Pt2 C3 -96.7(6) . .
C1 Pt1 Pt2 Pt3 12.1(5) . .
C5 Pt1 Pt2 Pt3 168.1(7) . .
P1 Pt1 Pt2 Pt3 162.14(19) . .
Pt6 Pt1 Pt2 Pt3 -88.79(2) . .
C1 Pt1 Pt2 Pt5 97.4(5) . .
C5 Pt1 Pt2 Pt5 -106.6(7) . .
P1 Pt1 Pt2 Pt5 -112.63(19) . .
Pt3 Pt1 Pt2 Pt5 85.23(3) . .
Pt6 Pt1 Pt2 Pt5 -3.56(3) . .
C4 Pt2 Pt3 C2 1(2) . .
C5 Pt2 Pt3 C2 -154.9(15) . .
C3 Pt2 Pt3 C2 5.8(16) . .
Pt1 Pt2 Pt3 C2 -164.0(14) . .
Pt5 Pt2 Pt3 C2 102.6(14) . .
C4 Pt2 Pt3 C3 -4.6(17) . .
C5 Pt2 Pt3 C3 -160.6(10) . .
Pt1 Pt2 Pt3 C3 -169.7(8) . .
Pt5 Pt2 Pt3 C3 96.8(8) . .
C4 Pt2 Pt3 C1 153.9(15) . .
C5 Pt2 Pt3 C1 -2.1(7) . .
C3 Pt2 Pt3 C1 158.5(9) . .
Pt1 Pt2 Pt3 C1 -11.2(5) . .
Pt5 Pt2 Pt3 C1 -104.7(5) . .
C4 Pt2 Pt3 Pt1 165.1(15) . .
C5 Pt2 Pt3 Pt1 9.1(5) . .
C3 Pt2 Pt3 Pt1 169.7(8) . .
Pt5 Pt2 Pt3 Pt1 -93.46(2) . .
C4 Pt2 Pt3 Pt4 -105.2(15) . .
C5 Pt2 Pt3 Pt4 98.8(5) . .
C3 Pt2 Pt3 Pt4 -100.6(8) . .
Pt1 Pt2 Pt3 Pt4 89.68(3) . .
Pt5 Pt2 Pt3 Pt4 -3.78(2) . .
C1 Pt1 Pt3 C2 -0.7(15) . .
C5 Pt1 Pt3 C2 155.0(14) . .
P1 Pt1 Pt3 C2 2.7(13) . .
Pt2 Pt1 Pt3 C2 164.5(13) . .
Pt6 Pt1 Pt3 C2 -106.4(13) . .
C1 Pt1 Pt3 C3 -156.7(9) . .
C5 Pt1 Pt3 C3 -0.9(8) . .
P1 Pt1 Pt3 C3 -153.3(7) . .
Pt2 Pt1 Pt3 C3 8.5(7) . .
Pt6 Pt1 Pt3 C3 97.6(7) . .
C5 Pt1 Pt3 C1 155.7(9) . .
P1 Pt1 Pt3 C1 3.4(7) . .
Pt2 Pt1 Pt3 C1 165.2(7) . .
Pt6 Pt1 Pt3 C1 -105.8(7) . .
C1 Pt1 Pt3 Pt2 -165.2(7) . .
C5 Pt1 Pt3 Pt2 -9.4(6) . .
P1 Pt1 Pt3 Pt2 -161.80(19) . .
Pt6 Pt1 Pt3 Pt2 89.08(2) . .
C1 Pt1 Pt3 Pt4 101.7(7) . .
C5 Pt1 Pt3 Pt4 -102.6(6) . .
P1 Pt1 Pt3 Pt4 105.07(19) . .
Pt2 Pt1 Pt3 Pt4 -93.13(3) . .
Pt6 Pt1 Pt3 Pt4 -4.05(2) . .
C2 Pt3 Pt4 C8 1.7(10) . .
C3 Pt3 Pt4 C8 101.5(10) . .
C1 Pt3 Pt4 C8 -101.0(9) . .
Pt2 Pt3 Pt4 C8 152.4(7) . .
Pt1 Pt3 Pt4 C8 -147.4(7) . .
C2 Pt3 Pt4 C9 -97.0(9) . .
C3 Pt3 Pt4 C9 2.8(8) . .
C1 Pt3 Pt4 C9 160.3(8) . .
Pt2 Pt3 Pt4 C9 53.8(6) . .
Pt1 Pt3 Pt4 C9 113.9(6) . .
C2 Pt3 Pt4 C7 104.6(9) . .
C3 Pt3 Pt4 C7 -155.7(8) . .
C1 Pt3 Pt4 C7 1.9(7) . .
Pt2 Pt3 Pt4 C7 -104.7(5) . .
Pt1 Pt3 Pt4 C7 -44.5(5) . .
C2 Pt3 Pt4 Pt6 153.9(7) . .
C3 Pt3 Pt4 Pt6 -106.3(7) . .
C1 Pt3 Pt4 Pt6 51.2(5) . .
Pt2 Pt3 Pt4 Pt6 -55.37(3) . .
Pt1 Pt3 Pt4 Pt6 4.79(3) . .
C2 Pt3 Pt4 Pt5 -146.4(7) . .
C3 Pt3 Pt4 Pt5 -46.7(7) . .
C1 Pt3 Pt4 Pt5 110.8(5) . .
Pt2 Pt3 Pt4 Pt5 4.28(3) . .
Pt1 Pt3 Pt4 Pt5 64.45(3) . .
C2 Pt3 Pt4 Pt5 149.1(7) . 2
C3 Pt3 Pt4 Pt5 -111.1(7) . 2
C1 Pt3 Pt4 Pt5 46.4(5) . 2
Pt2 Pt3 Pt4 Pt5 -60.13(16) . 2
Pt1 Pt3 Pt4 Pt5 0.03(16) . 2
C8 Pt4 Pt5 C10 0.0(18) . .
C9 Pt4 Pt5 C10 7.4(14) . .
C7 Pt4 Pt5 C10 -177.7(14) . .
Pt6 Pt4 Pt5 C10 -176.6(13) . .
Pt3 Pt4 Pt5 C10 90.3(13) . .
Pt5 Pt4 Pt5 C10 -100.0(13) 2 .
C8 Pt4 Pt5 C9 -7.4(13) . .
C7 Pt4 Pt5 C9 174.9(8) . .
Pt6 Pt4 Pt5 C9 176.0(7) . .
Pt3 Pt4 Pt5 C9 83.0(7) . .
Pt5 Pt4 Pt5 C9 -107.4(7) 2 .
C8 Pt4 Pt5 C11 -179.0(12) . .
C9 Pt4 Pt5 C11 -171.6(8) . .
C7 Pt4 Pt5 C11 3.3(7) . .
Pt6 Pt4 Pt5 C11 4.4(5) . .
Pt3 Pt4 Pt5 C11 -88.7(5) . .
Pt5 Pt4 Pt5 C11 81.0(5) 2 .
C8 Pt4 Pt5 Pt6 176.6(11) . .
C9 Pt4 Pt5 Pt6 -176.0(7) . .
C7 Pt4 Pt5 Pt6 -1.1(5) . .
Pt3 Pt4 Pt5 Pt6 -93.06(2) . .
Pt5 Pt4 Pt5 Pt6 76.60(2) 2 .
C8 Pt4 Pt5 Pt2 -94.1(11) . .
C9 Pt4 Pt5 Pt2 -86.8(7) . .
C7 Pt4 Pt5 Pt2 88.2(5) . .
Pt6 Pt4 Pt5 Pt2 89.28(2) . .
Pt3 Pt4 Pt5 Pt2 -3.78(2) . .
Pt5 Pt4 Pt5 Pt2 165.884(19) 2 .
C8 Pt4 Pt5 Pt4 73.3(11) . 2
C9 Pt4 Pt5 Pt4 80.6(7) . 2
C7 Pt4 Pt5 Pt4 -104.4(5) . 2
Pt6 Pt4 Pt5 Pt4 -103.35(2) . 2
Pt3 Pt4 Pt5 Pt4 163.593(19) . 2
Pt5 Pt4 Pt5 Pt4 -26.74(3) 2 2
C4 Pt2 Pt5 C10 2.2(10) . .
C5 Pt2 Pt5 C10 106.2(8) . .
C3 Pt2 Pt5 C10 -100.3(9) . .
Pt3 Pt2 Pt5 C10 -147.4(7) . .
Pt1 Pt2 Pt5 C10 152.6(7) . .
C4 Pt2 Pt5 C9 104.9(10) . .
C5 Pt2 Pt5 C9 -151.1(8) . .
C3 Pt2 Pt5 C9 2.4(8) . .
Pt3 Pt2 Pt5 C9 -44.7(6) . .
Pt1 Pt2 Pt5 C9 -104.7(6) . .
C4 Pt2 Pt5 C11 -96.1(9) . .
C5 Pt2 Pt5 C11 7.8(7) . .
C3 Pt2 Pt5 C11 161.4(7) . .
Pt3 Pt2 Pt5 C11 114.2(4) . .
Pt1 Pt2 Pt5 C11 54.2(4) . .
C4 Pt2 Pt5 Pt6 -146.1(8) . .
C5 Pt2 Pt5 Pt6 -42.2(5) . .
C3 Pt2 Pt5 Pt6 111.4(6) . .
Pt3 Pt2 Pt5 Pt6 64.24(3) . .
Pt1 Pt2 Pt5 Pt6 4.22(3) . .
C4 Pt2 Pt5 Pt4 154.0(8) . .
C5 Pt2 Pt5 Pt4 -102.1(5) . .
C3 Pt2 Pt5 Pt4 51.4(6) . .
Pt3 Pt2 Pt5 Pt4 4.32(3) . .
Pt1 Pt2 Pt5 Pt4 -55.70(3) . .
C4 Pt2 Pt5 Pt4 76.7(8) . 2
C5 Pt2 Pt5 Pt4 -179.3(5) . 2
C3 Pt2 Pt5 Pt4 -25.8(6) . 2
Pt3 Pt2 Pt5 Pt4 -72.91(14) . 2
Pt1 Pt2 Pt5 Pt4 -132.93(13) . 2
C10 Pt5 Pt6 C6 17.1(15) . .
C9 Pt5 Pt6 C6 -163.0(11) . .
C11 Pt5 Pt6 C6 25.6(12) . .
Pt4 Pt5 Pt6 C6 -159.8(10) . .
Pt2 Pt5 Pt6 C6 106.4(10) . .
Pt4 Pt5 Pt6 C6 -82.4(10) 2 .
C10 Pt5 Pt6 C7 178.0(13) . .
C9 Pt5 Pt6 C7 -2.1(7) . .
C11 Pt5 Pt6 C7 -173.5(8) . .
Pt4 Pt5 Pt6 C7 1.1(5) . .
Pt2 Pt5 Pt6 C7 -92.7(5) . .
Pt4 Pt5 Pt6 C7 78.5(5) 2 .
C10 Pt5 Pt6 C11 -8.4(13) . .
C9 Pt5 Pt6 C11 171.5(8) . .
Pt4 Pt5 Pt6 C11 174.6(6) . .
Pt2 Pt5 Pt6 C11 80.9(6) . .
Pt4 Pt5 Pt6 C11 -107.9(6) 2 .
C10 Pt5 Pt6 Pt4 176.9(12) . .
C9 Pt5 Pt6 Pt4 -3.2(5) . .
C11 Pt5 Pt6 Pt4 -174.6(6) . .
Pt2 Pt5 Pt6 Pt4 -93.78(3) . .
Pt4 Pt5 Pt6 Pt4 77.42(3) 2 .
C10 Pt5 Pt6 Pt1 -92.9(12) . .
C9 Pt5 Pt6 Pt1 87.0(5) . .
C11 Pt5 Pt6 Pt1 -84.5(6) . .
Pt4 Pt5 Pt6 Pt1 90.19(2) . .
Pt2 Pt5 Pt6 Pt1 -3.59(3) . .
Pt4 Pt5 Pt6 Pt1 167.62(2) 2 .
C10 Pt5 Pt6 Pt6 73.2(12) . 2
C9 Pt5 Pt6 Pt6 -106.9(5) . 2
C11 Pt5 Pt6 Pt6 81.6(6) . 2
Pt4 Pt5 Pt6 Pt6 -103.75(2) . 2
Pt2 Pt5 Pt6 Pt6 162.47(3) . 2
Pt4 Pt5 Pt6 Pt6 -26.33(2) 2 2
C8 Pt4 Pt6 C6 -13.2(15) . .
C9 Pt4 Pt6 C6 166.2(11) . .
C7 Pt4 Pt6 C6 -18.4(11) . .
Pt5 Pt4 Pt6 C6 163.0(9) . .
Pt3 Pt4 Pt6 C6 -112.1(9) . .
Pt5 Pt4 Pt6 C6 66.9(9) 2 .
C8 Pt4 Pt6 C7 5.2(14) . .
C9 Pt4 Pt6 C7 -175.5(8) . .
Pt5 Pt4 Pt6 C7 -178.6(6) . .
Pt3 Pt4 Pt6 C7 -93.8(6) . .
Pt5 Pt4 Pt6 C7 85.3(6) 2 .
C8 Pt4 Pt6 C11 179.4(13) . .
C9 Pt4 Pt6 C11 -1.2(7) . .
C7 Pt4 Pt6 C11 174.2(8) . .
Pt5 Pt4 Pt6 C11 -4.4(5) . .
Pt3 Pt4 Pt6 C11 80.5(5) . .
Pt5 Pt4 Pt6 C11 -100.5(5) 2 .
C8 Pt4 Pt6 Pt5 -176.2(13) . .
C9 Pt4 Pt6 Pt5 3.2(5) . .
C7 Pt4 Pt6 Pt5 178.6(6) . .
Pt3 Pt4 Pt6 Pt5 84.88(3) . .
Pt5 Pt4 Pt6 Pt5 -96.09(2) 2 .
C8 Pt4 Pt6 Pt1 94.8(13) . .
C9 Pt4 Pt6 Pt1 -85.8(5) . .
C7 Pt4 Pt6 Pt1 89.7(6) . .
Pt5 Pt4 Pt6 Pt1 -88.96(2) . .
Pt3 Pt4 Pt6 Pt1 -4.08(2) . .
Pt5 Pt4 Pt6 Pt1 174.96(2) 2 .
C8 Pt4 Pt6 Pt6 -105.9(13) . 2
C9 Pt4 Pt6 Pt6 73.5(5) . 2
C7 Pt4 Pt6 Pt6 -111.0(6) . 2
Pt5 Pt4 Pt6 Pt6 70.32(3) . 2
Pt3 Pt4 Pt6 Pt6 155.20(3) . 2
Pt5 Pt4 Pt6 Pt6 -25.76(3) 2 2
C1 Pt1 Pt6 C6 102.2(8) . .
C5 Pt1 Pt6 C6 -100.4(8) . .
P1 Pt1 Pt6 C6 1.1(6) . .
Pt2 Pt1 Pt6 C6 -148.7(6) . .
Pt3 Pt1 Pt6 C6 151.6(6) . .
C1 Pt1 Pt6 C7 5.2(7) . .
C5 Pt1 Pt6 C7 162.6(7) . .
P1 Pt1 Pt6 C7 -95.8(5) . .
Pt2 Pt1 Pt6 C7 114.3(5) . .
Pt3 Pt1 Pt6 C7 54.6(5) . .
C1 Pt1 Pt6 C11 -155.5(8) . .
C5 Pt1 Pt6 C11 1.9(7) . .
P1 Pt1 Pt6 C11 103.4(5) . .
Pt2 Pt1 Pt6 C11 -46.4(5) . .
Pt3 Pt1 Pt6 C11 -106.1(5) . .
C1 Pt1 Pt6 Pt5 -105.1(6) . .
C5 Pt1 Pt6 Pt5 52.3(6) . .
P1 Pt1 Pt6 Pt5 153.88(10) . .
Pt2 Pt1 Pt6 Pt5 4.05(3) . .
Pt3 Pt1 Pt6 Pt5 -55.66(3) . .
C1 Pt1 Pt6 Pt4 -44.8(6) . .
C5 Pt1 Pt6 Pt4 112.6(6) . .
P1 Pt1 Pt6 Pt4 -145.81(10) . .
Pt2 Pt1 Pt6 Pt4 64.36(3) . .
Pt3 Pt1 Pt6 Pt4 4.64(3) . .
C1 Pt1 Pt6 Pt6 -145.5(6) . 2
C5 Pt1 Pt6 Pt6 11.9(6) . 2
P1 Pt1 Pt6 Pt6 113.45(11) . 2
Pt2 Pt1 Pt6 Pt6 -36.38(5) . 2
Pt3 Pt1 Pt6 Pt6 -96.10(5) . 2
C5 Pt1 C1 O1 111(3) . .
P1 Pt1 C1 O1 -15(3) . .
Pt2 Pt1 C1 O1 149(3) . .
Pt3 Pt1 C1 O1 163(3) . .
Pt6 Pt1 C1 O1 -119(3) . .
C5 Pt1 C1 Pt3 -51.8(17) . .
P1 Pt1 C1 Pt3 -178.3(4) . .
Pt2 Pt1 C1 Pt3 -13.5(6) . .
Pt6 Pt1 C1 Pt3 78.4(5) . .
C2 Pt3 C1 O1 13(2) . .
C3 Pt3 C1 O1 -118(2) . .
Pt2 Pt3 C1 O1 -153.1(18) . .
Pt1 Pt3 C1 O1 -166(2) . .
Pt4 Pt3 C1 O1 110.6(19) . .
C2 Pt3 C1 Pt1 179.6(8) . .
C3 Pt3 C1 Pt1 48.1(17) . .
Pt2 Pt3 C1 Pt1 13.3(6) . .
Pt4 Pt3 C1 Pt1 -83.0(5) . .
C3 Pt3 C2 O2 159(8) . .
C1 Pt3 C2 O2 1(9) . .
Pt2 Pt3 C2 O2 155(8) . .
Pt1 Pt3 C2 O2 2(10) . .
Pt4 Pt3 C2 O2 -99(9) . .
C2 Pt3 C3 O3 -4(4) . .
C1 Pt3 C3 O3 128(3) . .
Pt2 Pt3 C3 O3 173(4) . .
Pt1 Pt3 C3 O3 164(3) . .
Pt4 Pt3 C3 O3 -101(3) . .
C2 Pt3 C3 Pt2 -177.0(8) . .
C1 Pt3 C3 Pt2 -44.9(18) . .
Pt1 Pt3 C3 Pt2 -9.5(7) . .
Pt4 Pt3 C3 Pt2 86.0(5) . .
C4 Pt2 C3 O3 2(3) . .
C5 Pt2 C3 O3 -137(2) . .
Pt3 Pt2 C3 O3 -175(3) . .
Pt1 Pt2 C3 O3 -166(2) . .
Pt5 Pt2 C3 O3 102(2) . .
C4 Pt2 C3 Pt3 177.6(9) . .
C5 Pt2 C3 Pt3 38.6(17) . .
Pt1 Pt2 C3 Pt3 9.3(7) . .
Pt5 Pt2 C3 Pt3 -82.8(5) . .
C5 Pt2 C4 O4 -12(21) . .
C3 Pt2 C4 O4 -172(21) . .
Pt3 Pt2 C4 O4 -168(20) . .
Pt1 Pt2 C4 O4 -14(22) . .
Pt5 Pt2 C4 O4 93(21) . .
C1 Pt1 C5 O5 -120(2) . .
P1 Pt1 C5 O5 6(2) . .
Pt2 Pt1 C5 O5 -171(3) . .
Pt3 Pt1 C5 O5 -160(2) . .
Pt6 Pt1 C5 O5 109(2) . .
C1 Pt1 C5 Pt2 50.6(17) . .
P1 Pt1 C5 Pt2 176.8(4) . .
Pt3 Pt1 C5 Pt2 10.8(6) . .
Pt6 Pt1 C5 Pt2 -80.0(5) . .
C4 Pt2 C5 O5 -7(2) . .
C3 Pt2 C5 O5 132(2) . .
Pt3 Pt2 C5 O5 161(2) . .
Pt1 Pt2 C5 O5 171(3) . .
Pt5 Pt2 C5 O5 -109(2) . .
C4 Pt2 C5 Pt1 -178.5(8) . .
C3 Pt2 C5 Pt1 -39.4(17) . .
Pt3 Pt2 C5 Pt1 -10.7(6) . .
Pt5 Pt2 C5 Pt1 79.5(5) . .
C7 Pt6 C6 O6 -59(13) . .
C11 Pt6 C6 O6 123(13) . .
Pt5 Pt6 C6 O6 103(13) . .
Pt4 Pt6 C6 O6 -45(14) . .
Pt1 Pt6 C6 O6 -150(13) . .
Pt6 Pt6 C6 O6 50(13) 2 .
C6 Pt6 C7 O7 -9(2) . .
C11 Pt6 C7 O7 164.9(17) . .
Pt5 Pt6 C7 O7 180(2) . .
Pt4 Pt6 C7 O7 -179(3) . .
Pt1 Pt6 C7 O7 91(2) . .
Pt6 Pt6 C7 O7 -100(2) 2 .
C6 Pt6 C7 Pt4 169.7(6) . .
C11 Pt6 C7 Pt4 -16(2) . .
Pt5 Pt6 C7 Pt4 -1.3(6) . .
Pt1 Pt6 C7 Pt4 -89.9(4) . .
Pt6 Pt6 C7 Pt4 79.4(5) 2 .
C8 Pt4 C7 O7 2(2) . .
C9 Pt4 C7 O7 -169.4(18) . .
Pt6 Pt4 C7 O7 179(3) . .
Pt5 Pt4 C7 O7 -180(2) . .
Pt3 Pt4 C7 O7 -93(2) . .
Pt5 Pt4 C7 O7 95(2) 2 .
C8 Pt4 C7 Pt6 -177.5(7) . .
C9 Pt4 C7 Pt6 12(2) . .
Pt5 Pt4 C7 Pt6 1.2(6) . .
Pt3 Pt4 C7 Pt6 88.0(4) . .
Pt5 Pt4 C7 Pt6 -83.8(4) 2 .
C9 Pt4 C8 O8 -40(25) . .
C7 Pt4 C8 O8 143(25) . .
Pt6 Pt4 C8 O8 139(24) . .
Pt5 Pt4 C8 O8 -34(26) . .
Pt3 Pt4 C8 O8 -122(25) . .
Pt5 Pt4 C8 O8 64(25) 2 .
C8 Pt4 C9 O9 0(2) . .
C7 Pt4 C9 O9 171.2(19) . .
Pt6 Pt4 C9 O9 -180(2) . .
Pt5 Pt4 C9 O9 -176(3) . .
Pt3 Pt4 C9 O9 93(2) . .
Pt5 Pt4 C9 O9 -98(2) 2 .
C8 Pt4 C9 Pt5 176.1(7) . .
C7 Pt4 C9 Pt5 -13(2) . .
Pt6 Pt4 C9 Pt5 -3.6(6) . .
Pt3 Pt4 C9 Pt5 -91.4(4) . .
Pt5 Pt4 C9 Pt5 77.8(5) 2 .
C10 Pt5 C9 O9 0(2) . .
C11 Pt5 C9 O9 -162.4(17) . .
Pt6 Pt5 C9 O9 180(2) . .
Pt4 Pt5 C9 O9 176(3) . .
Pt2 Pt5 C9 O9 -89(2) . .
Pt4 Pt5 C9 O9 85(2) 2 .
C10 Pt5 C9 Pt4 -176.4(7) . .
C11 Pt5 C9 Pt4 21(2) . .
Pt6 Pt5 C9 Pt4 3.6(6) . .
Pt2 Pt5 C9 Pt4 95.1(4) . .
Pt4 Pt5 C9 Pt4 -91.1(4) 2 .
C9 Pt5 C10 O10 164(27) . .
C11 Pt5 C10 O10 -22(27) . .
Pt6 Pt5 C10 O10 -16(28) . .
Pt4 Pt5 C10 O10 159(26) . .
Pt2 Pt5 C10 O10 -106(27) . .
Pt4 Pt5 C10 O10 86(27) 2 .
C6 Pt6 C11 O11 12(2) . .
C7 Pt6 C11 O11 -162.3(18) . .
Pt5 Pt6 C11 O11 180(2) . .
Pt4 Pt6 C11 O11 -175.3(19) . .
Pt1 Pt6 C11 O11 -88(2) . .
Pt6 Pt6 C11 O11 96(2) 2 .
C6 Pt6 C11 Pt5 -167.8(6) . .
C7 Pt6 C11 Pt5 18(2) . .
Pt4 Pt6 C11 Pt5 5.0(5) . .
Pt1 Pt6 C11 Pt5 92.7(4) . .
Pt6 Pt6 C11 Pt5 -83.6(4) 2 .
C10 Pt5 C11 O11 -4(2) . .
C9 Pt5 C11 O11 158.2(19) . .
Pt6 Pt5 C11 O11 -180(2) . .
Pt4 Pt5 C11 O11 175.3(19) . .
Pt2 Pt5 C11 O11 83(2) . .
Pt4 Pt5 C11 O11 -95(2) 2 .
C10 Pt5 C11 Pt6 175.5(7) . .
C9 Pt5 C11 Pt6 -22.1(19) . .
Pt4 Pt5 C11 Pt6 -4.9(5) . .
Pt2 Pt5 C11 Pt6 -96.9(4) . .
Pt4 Pt5 C11 Pt6 84.8(4) 2 .
C1 Pt1 P1 C33 99.4(8) . .
C5 Pt1 P1 C33 -56.6(8) . .
Pt2 Pt1 P1 C33 -52.0(6) . .
Pt3 Pt1 P1 C33 96.8(6) . .
Pt6 Pt1 P1 C33 -157.6(6) . .
C1 Pt1 P1 C21 -15.5(8) . .
C5 Pt1 P1 C21 -171.6(8) . .
Pt2 Pt1 P1 C21 -167.0(6) . .
Pt3 Pt1 P1 C21 -18.2(6) . .
Pt6 Pt1 P1 C21 87.4(6) . .
C1 Pt1 P1 C27 -138.7(8) . .
C5 Pt1 P1 C27 65.2(8) . .
Pt2 Pt1 P1 C27 69.8(6) . .
Pt3 Pt1 P1 C27 -141.4(6) . .
Pt6 Pt1 P1 C27 -35.7(6) . .
C33 P1 C21 C26 9.4(17) . .
C27 P1 C21 C26 -99.4(15) . .
Pt1 P1 C21 C26 128.9(14) . .
C33 P1 C21 C22 -169.8(13) . .
C27 P1 C21 C22 81.3(14) . .
Pt1 P1 C21 C22 -50.4(14) . .
C26 C21 C22 C23 0(3) . .
P1 C21 C22 C23 179.2(13) . .
C21 C22 C23 C24 1(3) . .
C22 C23 C24 C25 -2(3) . .
C23 C24 C25 C26 3(3) . .
C22 C21 C26 C25 1(2) . .
P1 C21 C26 C25 -178.5(12) . .
C24 C25 C26 C21 -2(3) . .
C33 P1 C27 C28 -97.2(14) . .
C21 P1 C27 C28 9.5(15) . .
Pt1 P1 C27 C28 138.5(12) . .
C33 P1 C27 C32 85.8(14) . .
C21 P1 C27 C32 -167.5(13) . .
Pt1 P1 C27 C32 -38.5(14) . .
C32 C27 C28 C29 0(2) . .
P1 C27 C28 C29 -176.9(11) . .
C27 C28 C29 C30 -1(2) . .
C28 C29 C30 C31 1(3) . .
C29 C30 C31 C32 1(3) . .
C28 C27 C32 C31 2(2) . .
P1 C27 C32 C31 178.7(12) . .
C30 C31 C32 C27 -2(2) . .
C21 P1 C33 C34 85.0(15) . .
C27 P1 C33 C34 -167.9(14) . .
Pt1 P1 C33 C34 -37.8(15) . .
C21 P1 C33 C38 -91.2(15) . .
C27 P1 C33 C38 15.9(16) . .
Pt1 P1 C33 C38 146.0(12) . .
C38 C33 C34 C35 1(2) . .
P1 C33 C34 C35 -174.9(12) . .
C33 C34 C35 C36 -2(3) . .
C34 C35 C36 C37 3(3) . .
C35 C36 C37 C38 -3(3) . .
C36 C37 C38 C33 3(3) . .
C34 C33 C38 C37 -2(3) . .
P1 C33 C38 C37 174.4(12) . .
C115 N1 C101 C102 -20(12) . .
C113 N1 C101 C102 69(6) . .
C103 N1 C101 C102 102(7) . .
C107 N1 C101 C102 -135(6) . .
C111 N1 C101 C102 -77(6) . .
C105 N1 C101 C102 -15(7) . .
C117 N1 C101 C102 177(6) . .
C115 N1 C103 C104 141(7) . .
C113 N1 C103 C104 19(6) . .
C101 N1 C103 C104 -18(8) . .
C107 N1 C103 C104 -141(7) . .
C111 N1 C103 C104 -9(58) . .
C105 N1 C103 C104 98(8) . .
C117 N1 C103 C104 -102(6) . .
C115 N1 C105 C106 -35(6) . .
C113 N1 C105 C106 79(7) . .
C101 N1 C105 C106 147(7) . .
C103 N1 C105 C106 22(8) . .
C107 N1 C105 C106 -96(7) . .
C111 N1 C105 C106 -162(7) . .
C117 N1 C105 C106 -71(12) . .
C115 N1 C107 C108 75(7) . .
C113 N1 C107 C108 -49(13) . .
C101 N1 C107 C108 -128(8) . .
C103 N1 C107 C108 2(8) . .
C111 N1 C107 C108 -176(8) . .
C105 N1 C107 C108 118(8) . .
C117 N1 C107 C108 -51(7) . .
C115 N1 C111 C112 -66(3) . .
C113 N1 C111 C112 57(3) . .
C101 N1 C111 C112 92(3) . .
C103 N1 C111 C112 84(54) . .
C107 N1 C111 C112 -143(4) . .
C105 N1 C111 C112 -25(4) . .
C117 N1 C111 C112 176(2) . .
C115 N1 C113 C114 177(2) . .
C101 N1 C113 C114 23(3) . .
C103 N1 C113 C114 -123(4) . .
C107 N1 C113 C114 -64(8) . .
C111 N1 C113 C114 56(3) . .
C105 N1 C113 C114 128(3) . .
C117 N1 C113 C114 -62(3) . .
C113 N1 C115 C116 61(3) . .
C101 N1 C115 C116 141(8) . .
C103 N1 C115 C116 11(3) . .
C107 N1 C115 C116 -99(3) . .
C111 N1 C115 C116 -171(2) . .
C105 N1 C115 C116 135(4) . .
C117 N1 C115 C116 -57(3) . .
C115 N1 C117 C118 -54(3) . .
C113 N1 C117 C118 -173(2) . .
C101 N1 C117 C118 119(4) . .
C103 N1 C117 C118 -122(3) . .
C107 N1 C117 C118 6(4) . .
C111 N1 C117 C118 62(3) . .
C105 N1 C117 C118 -23(9) . .
