#------------------------------------------------------------------------------
#$Date: 2017-03-04 04:20:42 +0200 (Sat, 04 Mar 2017) $
#$Revision: 193006 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/54/4345491.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_4345491
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            'C84 H78 N4 O20 P4 Pt12'
_chemical_formula_weight         3928.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.896(2)
_cell_angle_beta                 103.899(2)
_cell_angle_gamma                113.0710(10)
_cell_formula_units_Z            1
_cell_length_a                   13.3433(4)
_cell_length_b                   13.8993(4)
_cell_length_c                   14.5522(4)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.120
_cell_measurement_theta_min      2.2175
_cell_volume                     2351.05(12)
_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 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0677
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36872
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    17.906
_exptl_absorpt_correction_T_max  0.2225
_exptl_absorpt_correction_T_min  0.1618
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1580 (selected reflections only, before parameter refinement)
 R(int) = 0.0709 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1766
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.052
_refine_diff_density_min         -2.418
_refine_diff_density_rms         0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         9212
_refine_ls_number_restraints     444
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0355
_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)+(0.0000P)²+26.8473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0826
_reflns_number_gt                7707
_reflns_number_total             9212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02750_si_002.cif
_cod_data_source_block           '[NMe4]2[Pt12(CO)20(dppe)2]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        2351.04(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4345491
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.12120(3) 0.52601(3) 0.17771(2) 0.01926(9) Uani 1 1 d . . .
Pt2 Pt 0.16554(3) 0.58963(3) 0.01874(2) 0.02311(9) Uani 1 1 d . . .
Pt3 Pt 0.01272(3) 0.62975(3) 0.08265(3) 0.02379(9) Uani 1 1 d . . .
Pt4 Pt 0.36304(3) 0.73070(3) 0.27443(3) 0.02418(9) Uani 1 1 d . . .
Pt5 Pt 0.35423(3) 0.81164(3) 0.11632(3) 0.02753(10) Uani 1 1 d . . .
Pt6 Pt 0.21970(3) 0.81962(3) 0.22399(3) 0.02653(10) Uani 1 1 d . . .
C1 C 0.0149(9) 0.5828(8) 0.2168(7) 0.030(2) Uani 1 1 d . . .
C2 C -0.0944(11) 0.6864(9) 0.0805(7) 0.039(3) Uani 1 1 d . . .
C3 C 0.0852(9) 0.6879(8) -0.0210(7) 0.033(2) Uani 1 1 d . . .
C4 C 0.2523(9) 0.5914(9) -0.0661(7) 0.031(2) Uani 1 1 d . . .
C5 C 0.2363(8) 0.5118(7) 0.1174(6) 0.022(2) Uani 1 1 d . . .
C6 C 0.4598(9) 0.7442(8) 0.1865(7) 0.030(2) Uani 1 1 d . . .
C7 C 0.4116(9) 0.8484(9) 0.0133(8) 0.037(3) Uani 1 1 d . . .
C8 C 0.2648(9) 0.9040(8) 0.1217(7) 0.034(2) Uani 1 1 d . . .
C9 C 0.1136(9) 0.8606(9) 0.2602(8) 0.035(2) Uani 1 1 d . . .
C10 C 0.2710(9) 0.7697(8) 0.3512(8) 0.031(2) Uani 1 1 d . . .
O1 O -0.0253(6) 0.5929(6) 0.2778(5) 0.0347(17) Uani 1 1 d . . .
O2 O -0.1617(8) 0.7178(8) 0.0784(6) 0.058(2) Uani 1 1 d . . .
O3 O 0.0903(6) 0.7510(6) -0.0697(5) 0.0385(18) Uani 1 1 d . . .
O4 O 0.3063(7) 0.5905(7) -0.1157(5) 0.045(2) Uani 1 1 d . . .
O5 O 0.3086(6) 0.4824(6) 0.1219(5) 0.0291(15) Uani 1 1 d . . .
O6 O 0.5355(7) 0.7281(7) 0.1715(6) 0.046(2) Uani 1 1 d . . .
O7 O 0.4431(8) 0.8706(7) -0.0516(6) 0.054(2) Uani 1 1 d . . .
O8 O 0.2537(7) 0.9730(6) 0.0877(6) 0.048(2) Uani 1 1 d . . .
O9 O 0.0494(7) 0.8827(7) 0.2839(7) 0.055(2) Uani 1 1 d . . .
O10 O 0.2534(7) 0.7722(7) 0.4244(6) 0.046(2) Uani 1 1 d . . .
P1 P 0.1264(2) 0.4292(2) 0.29384(17) 0.0216(5) Uani 1 1 d . . .
P2 P 0.4472(2) 0.6614(2) 0.38481(18) 0.0248(5) Uani 1 1 d . . .
C101 C 0.0010(4) 0.3845(6) 0.3379(4) 0.023(2) Uani 1 1 d GU . .
C102 C -0.1062(5) 0.3499(6) 0.2703(3) 0.034(2) Uani 1 1 d GU . .
H102 H -0.1127 0.3510 0.2040 0.041 Uiso 1 1 calc R . .
C103 C -0.2038(4) 0.3136(6) 0.2998(4) 0.035(2) Uani 1 1 d GU . .
H103 H -0.2771 0.2899 0.2536 0.042 Uiso 1 1 calc R . .
C104 C -0.1943(4) 0.3120(6) 0.3968(4) 0.035(2) Uani 1 1 d GU . .
H104 H -0.2610 0.2871 0.4169 0.042 Uiso 1 1 calc R . .
C105 C -0.0871(5) 0.3466(7) 0.4644(3) 0.055(4) Uani 1 1 d GU . .
H105 H -0.0805 0.3455 0.5307 0.066 Uiso 1 1 calc R . .
C106 C 0.0106(4) 0.3829(7) 0.4349(4) 0.049(3) Uani 1 1 d GU . .
H106 H 0.0838 0.4066 0.4811 0.059 Uiso 1 1 calc R . .
C107 C 0.1440(7) 0.3061(5) 0.2667(5) 0.025(2) Uani 1 1 d GU . .
C108 C 0.1562(8) 0.2503(6) 0.3394(4) 0.074(5) Uani 1 1 d GU . .
H108 H 0.1507 0.2736 0.4009 0.089 Uiso 1 1 calc R . .
C109 C 0.1767(8) 0.1605(6) 0.3221(5) 0.071(4) Uani 1 1 d GU . .
H109 H 0.1851 0.1224 0.3718 0.085 Uiso 1 1 calc R . .
C110 C 0.1848(7) 0.1264(5) 0.2321(6) 0.052(3) Uani 1 1 d GU . .
H110 H 0.1988 0.0650 0.2203 0.063 Uiso 1 1 calc R . .
C111 C 0.1725(7) 0.1822(6) 0.1594(5) 0.064(4) Uani 1 1 d GU . .
H111 H 0.1781 0.1589 0.0979 0.077 Uiso 1 1 calc R . .
C112 C 0.1521(7) 0.2720(5) 0.1767(4) 0.039(3) Uani 1 1 d GU . .
H112 H 0.1437 0.3101 0.1270 0.047 Uiso 1 1 calc R . .
C113 C 0.2489(8) 0.5030(8) 0.4032(6) 0.025(2) Uani 1 1 d U . .
H11A H 0.2498 0.5728 0.4269 0.030 Uiso 1 1 calc R . .
H11B H 0.2410 0.4618 0.4547 0.030 Uiso 1 1 calc R . .
C201 C 0.5815(4) 0.6618(6) 0.3746(5) 0.028(2) Uani 1 1 d GU . .
C202 C 0.5793(5) 0.5763(5) 0.3142(5) 0.050(3) Uani 1 1 d GU . .
H202 H 0.5086 0.5160 0.2811 0.060 Uiso 1 1 calc R . .
C203 C 0.6805(7) 0.5789(6) 0.3021(6) 0.059(4) Uani 1 1 d GU . .
H203 H 0.6790 0.5204 0.2609 0.071 Uiso 1 1 calc R . .
C204 C 0.7839(6) 0.6671(7) 0.3505(6) 0.055(4) Uani 1 1 d GU . .
H204 H 0.8531 0.6689 0.3423 0.066 Uiso 1 1 calc R . .
C205 C 0.7861(4) 0.7526(6) 0.4109(5) 0.047(3) Uani 1 1 d GU . .
H205 H 0.8568 0.8129 0.4439 0.056 Uiso 1 1 calc R . .
C206 C 0.6849(6) 0.7500(5) 0.4229(5) 0.043(3) Uani 1 1 d GU . .
H206 H 0.6864 0.8084 0.4642 0.052 Uiso 1 1 calc R . .
C207 C 0.4835(6) 0.7288(5) 0.5116(4) 0.032(2) Uani 1 1 d GU . .
C208 C 0.4784(6) 0.6734(4) 0.5859(5) 0.034(2) Uani 1 1 d GU . .
H208 H 0.4581 0.5987 0.5722 0.040 Uiso 1 1 calc R . .
C209 C 0.5028(6) 0.7273(6) 0.6801(4) 0.043(3) Uani 1 1 d GU . .
H209 H 0.4993 0.6894 0.7309 0.052 Uiso 1 1 calc R . .
C210 C 0.5324(6) 0.8366(6) 0.7001(4) 0.056(4) Uani 1 1 d GU . .
H210 H 0.5491 0.8734 0.7645 0.067 Uiso 1 1 calc R . .
C211 C 0.5376(6) 0.8920(4) 0.6258(6) 0.053(3) Uani 1 1 d GU . .
H211 H 0.5579 0.9667 0.6394 0.064 Uiso 1 1 calc R . .
C212 C 0.5132(6) 0.8381(5) 0.5315(5) 0.040(3) Uani 1 1 d GU . .
H212 H 0.5167 0.8759 0.4807 0.048 Uiso 1 1 calc R . .
C213 C 0.3619(8) 0.5221(8) 0.3823(6) 0.025(2) Uani 1 1 d U . .
H21A H 0.3448 0.4781 0.3177 0.030 Uiso 1 1 calc R . .
H21B H 0.4070 0.4980 0.4311 0.030 Uiso 1 1 calc R . .
N1 N 0.2002(11) 0.0287(11) 0.8450(10) 0.087(4) Uani 1 1 d DU . .
C301 C 0.141(3) 0.043(3) 0.916(2) 0.123(16) Uani 0.55(2) 1 d PDU A 1
H30A H 0.0651 0.0367 0.8812 0.184 Uiso 0.55(2) 1 calc PR A 1
H30B H 0.1860 0.1142 0.9594 0.184 Uiso 0.55(2) 1 calc PR A 1
H30C H 0.1324 -0.0120 0.9543 0.184 Uiso 0.55(2) 1 calc PR A 1
C302 C 0.302(2) 0.014(3) 0.892(3) 0.106(9) Uani 0.55(2) 1 d PDU A 1
H30D H 0.3431 0.0107 0.8451 0.159 Uiso 0.55(2) 1 calc PR A 1
H30E H 0.2781 -0.0535 0.9144 0.159 Uiso 0.55(2) 1 calc PR A 1
H30F H 0.3518 0.0738 0.9473 0.159 Uiso 0.55(2) 1 calc PR A 1
C303 C 0.213(3) 0.109(2) 0.7843(19) 0.052(9) Uani 0.55(2) 1 d PDU A 1
H30G H 0.1371 0.0966 0.7435 0.078 Uiso 0.55(2) 1 calc PR A 1
H30H H 0.2589 0.1017 0.7429 0.078 Uiso 0.55(2) 1 calc PR A 1
H30I H 0.2510 0.1808 0.8260 0.078 Uiso 0.55(2) 1 calc PR A 1
C304 C 0.136(3) -0.079(2) 0.771(2) 0.118(13) Uani 0.55(2) 1 d PDU A 1
H30J H 0.0636 -0.0832 0.7299 0.177 Uiso 0.55(2) 1 calc PR A 1
H30K H 0.1204 -0.1378 0.8048 0.177 Uiso 0.55(2) 1 calc PR A 1
H30L H 0.1831 -0.0844 0.7298 0.177 Uiso 0.55(2) 1 calc PR A 1
C311 C 0.1047(18) 0.000(2) 0.8874(18) 0.034(6) Uani 0.45(2) 1 d PDU A 2
H31A H 0.0842 0.0597 0.8954 0.051 Uiso 0.45(2) 1 calc PR A 2
H31B H 0.1284 -0.0167 0.9508 0.051 Uiso 0.45(2) 1 calc PR A 2
H31C H 0.0383 -0.0635 0.8441 0.051 Uiso 0.45(2) 1 calc PR A 2
C312 C 0.300(3) 0.111(3) 0.9288(19) 0.091(13) Uani 0.45(2) 1 d PDU A 2
H31D H 0.2815 0.1706 0.9485 0.136 Uiso 0.45(2) 1 calc PR A 2
H31E H 0.3686 0.1391 0.9083 0.136 Uiso 0.45(2) 1 calc PR A 2
H31F H 0.3134 0.0780 0.9837 0.136 Uiso 0.45(2) 1 calc PR A 2
C313 C 0.183(3) 0.080(3) 0.762(2) 0.048(10) Uani 0.45(2) 1 d PDU A 2
H31G H 0.1536 0.1319 0.7773 0.072 Uiso 0.45(2) 1 calc PR A 2
H31H H 0.1286 0.0251 0.7043 0.072 Uiso 0.45(2) 1 calc PR A 2
H31I H 0.2566 0.1169 0.7499 0.072 Uiso 0.45(2) 1 calc PR A 2
C314 C 0.248(4) -0.047(3) 0.823(3) 0.101(13) Uani 0.45(2) 1 d PDU A 2
H31J H 0.2576 -0.0822 0.8777 0.152 Uiso 0.45(2) 1 calc PR A 2
H31K H 0.3227 -0.0078 0.8141 0.152 Uiso 0.45(2) 1 calc PR A 2
H31L H 0.1961 -0.1009 0.7642 0.152 Uiso 0.45(2) 1 calc PR A 2
N2 N 0.517(3) 0.535(2) 0.996(3) 0.089(9) Uani 0.50 1 d PDU B -1
C401 C 0.550(3) 0.613(2) 0.963(2) 0.080(9) Uani 0.50 1 d PDU B -1
C402 C 0.592(2) 0.715(2) 0.936(2) 0.063(7) Uani 0.50 1 d PDU B -1
H40A H 0.5282 0.7245 0.8948 0.095 Uiso 0.50 1 calc PR B -1
H40B H 0.6462 0.7173 0.8998 0.095 Uiso 0.50 1 calc PR B -1
H40C H 0.6315 0.7733 0.9942 0.095 Uiso 0.50 1 calc PR B -1
N3 N 0.309(3) 0.976(3) 0.591(3) 0.060(8) Uani 0.335(15) 1 d PDU C -1
C501 C 0.215(3) 0.958(4) 0.554(4) 0.066(8) Uani 0.335(15) 1 d PDU C -1
C502 C 0.098(3) 0.945(4) 0.524(3) 0.054(8) Uani 0.335(15) 1 d PDU C -1
H50A H 0.0971 1.0152 0.5343 0.081 Uiso 0.335(15) 1 calc PR C -1
H50B H 0.0553 0.9011 0.5632 0.081 Uiso 0.335(15) 1 calc PR C -1
H50C H 0.0616 0.9090 0.4556 0.081 Uiso 0.335(15) 1 calc PR C -1
N4 N 0.011(6) 1.002(7) 0.485(5) 0.047(11) Uani 0.165(15) 1 d PDU C -2
C511 C 0.084(6) 0.977(6) 0.503(6) 0.041(10) Uani 0.165(15) 1 d PDU C -2
C512 C 0.166(7) 0.931(6) 0.531(6) 0.048(9) Uani 0.165(15) 1 d PDU C -2
H51A H 0.2331 0.9688 0.5103 0.073 Uiso 0.165(15) 1 calc PR C -2
H51B H 0.1299 0.8549 0.4992 0.073 Uiso 0.165(15) 1 calc PR C -2
H51C H 0.1894 0.9393 0.6014 0.073 Uiso 0.165(15) 1 calc PR C -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_1
_geom_angle_site_symmetry_3
C5 Pt1 C1 160.7(4) . .
C5 Pt1 P1 102.6(3) . .
C1 Pt1 P1 95.7(3) . .
C5 Pt1 Pt2 52.2(3) . .
C1 Pt1 Pt2 110.3(3) . .
P1 Pt1 Pt2 153.74(6) . .
C5 Pt1 Pt3 111.5(3) . .
C1 Pt1 Pt3 51.2(3) . .
P1 Pt1 Pt3 145.52(6) . .
Pt2 Pt1 Pt3 59.388(14) . .
C5 Pt1 Pt4 70.5(3) . .
C1 Pt1 Pt4 100.5(3) . .
P1 Pt1 Pt4 99.75(6) . .
Pt2 Pt1 Pt4 79.710(14) . .
Pt3 Pt1 Pt4 96.467(15) . .
C4 Pt2 C3 106.1(4) . .
C4 Pt2 C5 96.9(4) . .
C3 Pt2 C5 154.7(4) . .
C4 Pt2 Pt3 155.2(3) . .
C3 Pt2 Pt3 49.5(3) . .
C5 Pt2 Pt3 107.9(2) . .
C4 Pt2 Pt1 144.5(3) . .
C3 Pt2 Pt1 109.1(3) . .
C5 Pt2 Pt1 47.6(2) . .
Pt3 Pt2 Pt1 60.377(13) . .
C4 Pt2 Pt3 92.9(3) . 2_565
C3 Pt2 Pt3 103.5(3) . 2_565
C5 Pt2 Pt3 85.5(2) . 2_565
Pt3 Pt2 Pt3 89.672(15) . 2_565
Pt1 Pt2 Pt3 83.775(14) . 2_565
C4 Pt2 Pt5 84.4(3) . .
C3 Pt2 Pt5 77.8(3) . .
C5 Pt2 Pt5 94.3(2) . .
Pt3 Pt2 Pt5 92.999(16) . .
Pt1 Pt2 Pt5 98.143(15) . .
Pt3 Pt2 Pt5 177.243(18) 2_565 .
C2 Pt3 C3 104.0(5) . .
C2 Pt3 C1 96.9(4) . .
C3 Pt3 C1 154.3(4) . .
C2 Pt3 Pt2 154.5(3) . .
C3 Pt3 Pt2 50.8(3) . .
C1 Pt3 Pt2 108.3(3) . .
C2 Pt3 Pt1 145.2(3) . .
C3 Pt3 Pt1 110.2(3) . .
C1 Pt3 Pt1 48.4(3) . .
Pt2 Pt3 Pt1 60.235(13) . .
C2 Pt3 Pt2 93.5(4) . 2_565
C3 Pt3 Pt2 104.2(3) . 2_565
C1 Pt3 Pt2 89.0(3) . 2_565
Pt2 Pt3 Pt2 90.328(15) . 2_565
Pt1 Pt3 Pt2 84.111(15) . 2_565
C2 Pt3 Pt6 97.4(3) . .
C3 Pt3 Pt6 84.6(3) . .
C1 Pt3 Pt6 77.9(3) . .
Pt2 Pt3 Pt6 84.876(15) . .
Pt1 Pt3 Pt6 80.127(14) . .
Pt2 Pt3 Pt6 163.861(17) 2_565 .
C6 Pt4 C10 158.7(4) . .
C6 Pt4 P2 98.9(3) . .
C10 Pt4 P2 97.7(3) . .
C6 Pt4 Pt5 51.5(3) . .
C10 Pt4 Pt5 110.6(3) . .
P2 Pt4 Pt5 150.22(7) . .
C6 Pt4 Pt6 111.7(3) . .
C10 Pt4 Pt6 51.0(3) . .
P2 Pt4 Pt6 148.73(7) . .
Pt5 Pt4 Pt6 60.362(14) . .
C6 Pt4 Pt1 109.4(3) . .
C10 Pt4 Pt1 81.0(3) . .
P2 Pt4 Pt1 99.19(7) . .
Pt5 Pt4 Pt1 94.196(15) . .
Pt6 Pt4 Pt1 77.368(14) . .
C7 Pt5 C8 101.5(5) . .
C7 Pt5 C6 101.8(4) . .
C8 Pt5 C6 150.6(4) . .
C7 Pt5 Pt4 149.7(3) . .
C8 Pt5 Pt4 107.1(3) . .
C6 Pt5 Pt4 47.8(3) . .
C7 Pt5 Pt6 150.2(3) . .
C8 Pt5 Pt6 49.1(3) . .
C6 Pt5 Pt6 107.6(3) . .
Pt4 Pt5 Pt6 59.853(14) . .
C7 Pt5 Pt2 100.1(4) . .
C8 Pt5 Pt2 102.8(3) . .
C6 Pt5 Pt2 90.4(3) . .
Pt4 Pt5 Pt2 83.319(15) . .
Pt6 Pt5 Pt2 84.765(15) . .
C9 Pt6 C8 105.2(5) . .
C9 Pt6 C10 96.6(4) . .
C8 Pt6 C10 148.4(4) . .
C9 Pt6 Pt4 145.1(3) . .
C8 Pt6 Pt4 107.9(3) . .
C10 Pt6 Pt4 48.6(3) . .
C9 Pt6 Pt5 154.9(3) . .
C8 Pt6 Pt5 49.9(3) . .
C10 Pt6 Pt5 107.7(3) . .
Pt4 Pt6 Pt5 59.785(14) . .
C9 Pt6 Pt3 86.1(3) . .
C8 Pt6 Pt3 96.0(3) . .
C10 Pt6 Pt3 108.1(3) . .
Pt4 Pt6 Pt3 100.810(16) . .
Pt5 Pt6 Pt3 92.156(16) . .
O1 C1 Pt1 144.0(8) . .
O1 C1 Pt3 135.6(8) . .
Pt1 C1 Pt3 80.3(4) . .
O2 C2 Pt3 178.0(11) . .
O3 C3 Pt3 141.1(10) . .
O3 C3 Pt2 138.8(9) . .
Pt3 C3 Pt2 79.7(3) . .
O4 C4 Pt2 177.7(9) . .
O5 C5 Pt1 146.6(7) . .
O5 C5 Pt2 133.2(7) . .
Pt1 C5 Pt2 80.2(3) . .
O6 C6 Pt4 145.1(8) . .
O6 C6 Pt5 134.2(8) . .
Pt4 C6 Pt5 80.7(4) . .
O7 C7 Pt5 177.6(10) . .
O8 C8 Pt6 140.4(10) . .
O8 C8 Pt5 138.4(9) . .
Pt6 C8 Pt5 81.0(4) . .
O9 C9 Pt6 177.7(10) . .
O10 C10 Pt4 144.1(9) . .
O10 C10 Pt6 135.5(9) . .
Pt4 C10 Pt6 80.4(4) . .
C113 P1 C107 100.5(4) . .
C113 P1 C101 104.8(4) . .
C107 P1 C101 102.9(3) . .
C113 P1 Pt1 112.8(3) . .
C107 P1 Pt1 118.3(2) . .
C101 P1 Pt1 115.6(2) . .
C213 P2 C201 102.8(4) . .
C213 P2 C207 103.4(4) . .
C201 P2 C207 104.1(3) . .
C213 P2 Pt4 114.9(3) . .
C201 P2 Pt4 115.5(2) . .
C207 P2 Pt4 114.6(2) . .
C102 C101 C106 120.0 . .
C102 C101 P1 117.8(3) . .
C106 C101 P1 122.2(3) . .
C103 C102 C101 120.0 . .
C103 C102 H102 120.0 . .
C101 C102 H102 120.0 . .
C102 C103 C104 120.0 . .
C102 C103 H103 120.0 . .
C104 C103 H103 120.0 . .
C105 C104 C103 120.0 . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C106 C105 C104 120.0 . .
C106 C105 H105 120.0 . .
C104 C105 H105 120.0 . .
C105 C106 C101 120.0 . .
C105 C106 H106 120.0 . .
C101 C106 H106 120.0 . .
C108 C107 C112 120.0 . .
C108 C107 P1 119.1(4) . .
C112 C107 P1 120.8(4) . .
C107 C108 C109 120.0 . .
C107 C108 H108 120.0 . .
C109 C108 H108 120.0 . .
C110 C109 C108 120.0 . .
C110 C109 H109 120.0 . .
C108 C109 H109 120.0 . .
C109 C110 C111 120.0 . .
C109 C110 H110 120.0 . .
C111 C110 H110 120.0 . .
C110 C111 C112 120.0 . .
C110 C111 H111 120.0 . .
C112 C111 H111 120.0 . .
C111 C112 C107 120.0 . .
C111 C112 H112 120.0 . .
C107 C112 H112 120.0 . .
C213 C113 P1 111.0(6) . .
C213 C113 H11A 109.4 . .
P1 C113 H11A 109.4 . .
C213 C113 H11B 109.4 . .
P1 C113 H11B 109.4 . .
H11A C113 H11B 108.0 . .
C202 C201 C206 120.0 . .
C202 C201 P2 119.8(4) . .
C206 C201 P2 120.1(4) . .
C201 C202 C203 120.0 . .
C201 C202 H202 120.0 . .
C203 C202 H202 120.0 . .
C202 C203 C204 120.0 . .
C202 C203 H203 120.0 . .
C204 C203 H203 120.0 . .
C205 C204 C203 120.0 . .
C205 C204 H204 120.0 . .
C203 C204 H204 120.0 . .
C206 C205 C204 120.0 . .
C206 C205 H205 120.0 . .
C204 C205 H205 120.0 . .
C205 C206 C201 120.0 . .
C205 C206 H206 120.0 . .
C201 C206 H206 120.0 . .
C208 C207 C212 120.0 . .
C208 C207 P2 122.1(4) . .
C212 C207 P2 117.8(4) . .
C209 C208 C207 120.0 . .
C209 C208 H208 120.0 . .
C207 C208 H208 120.0 . .
C208 C209 C210 120.0 . .
C208 C209 H209 120.0 . .
C210 C209 H209 120.0 . .
C209 C210 C211 120.0 . .
C209 C210 H210 120.0 . .
C211 C210 H210 120.0 . .
C212 C211 C210 120.0 . .
C212 C211 H211 120.0 . .
C210 C211 H211 120.0 . .
C211 C212 C207 120.0 . .
C211 C212 H212 120.0 . .
C207 C212 H212 120.0 . .
C113 C213 P2 112.9(7) . .
C113 C213 H21A 109.0 . .
P2 C213 H21A 109.0 . .
C113 C213 H21B 109.0 . .
P2 C213 H21B 109.0 . .
H21A C213 H21B 107.8 . .
C302 N1 C314 44(2) . .
C302 N1 C303 118.2(19) . .
C314 N1 C303 115(2) . .
C302 N1 C313 128(2) . .
C314 N1 C313 109(2) . .
C303 N1 C313 17.8(18) . .
C302 N1 C311 119.2(19) . .
C314 N1 C311 122(2) . .
C303 N1 C311 118.2(18) . .
C313 N1 C311 113.0(16) . .
C302 N1 C301 111(2) . .
C314 N1 C301 134(3) . .
C303 N1 C301 111.5(18) . .
C313 N1 C301 114(3) . .
C311 N1 C301 24.5(18) . .
C302 N1 C312 56.8(16) . .
C314 N1 C312 100(2) . .
C303 N1 C312 91(2) . .
C313 N1 C312 109(2) . .
C311 N1 C312 101.9(19) . .
C301 N1 C312 79(2) . .
C302 N1 C304 97(2) . .
C314 N1 C304 54.2(17) . .
C303 N1 C304 103.5(19) . .
C313 N1 C304 87(2) . .
C311 N1 C304 90.2(19) . .
C301 N1 C304 115(2) . .
C312 N1 C304 154(2) . .
N1 C301 H30A 109.5 . .
N1 C301 H30B 109.5 . .
H30A C301 H30B 109.5 . .
N1 C301 H30C 109.5 . .
H30A C301 H30C 109.5 . .
H30B C301 H30C 109.5 . .
N1 C302 H30D 109.5 . .
N1 C302 H30E 109.5 . .
H30D C302 H30E 109.5 . .
N1 C302 H30F 109.5 . .
H30D C302 H30F 109.5 . .
H30E C302 H30F 109.5 . .
N1 C303 H30G 109.5 . .
N1 C303 H30H 109.5 . .
H30G C303 H30H 109.5 . .
N1 C303 H30I 109.5 . .
H30G C303 H30I 109.5 . .
H30H C303 H30I 109.5 . .
N1 C304 H30J 109.5 . .
N1 C304 H30K 109.5 . .
H30J C304 H30K 109.5 . .
N1 C304 H30L 109.5 . .
H30J C304 H30L 109.5 . .
H30K C304 H30L 109.5 . .
N1 C311 H31A 109.5 . .
N1 C311 H31B 109.5 . .
H31A C311 H31B 109.5 . .
N1 C311 H31C 109.5 . .
H31A C311 H31C 109.5 . .
H31B C311 H31C 109.5 . .
N1 C312 H31D 109.5 . .
N1 C312 H31E 109.5 . .
H31D C312 H31E 109.5 . .
N1 C312 H31F 109.5 . .
H31D C312 H31F 109.5 . .
H31E C312 H31F 109.5 . .
N1 C313 H31G 109.5 . .
N1 C313 H31H 109.5 . .
H31G C313 H31H 109.5 . .
N1 C313 H31I 109.5 . .
H31G C313 H31I 109.5 . .
H31H C313 H31I 109.5 . .
N1 C314 H31J 109.5 . .
N1 C314 H31K 109.5 . .
H31J C314 H31K 109.5 . .
N1 C314 H31L 109.5 . .
H31J C314 H31L 109.5 . .
H31K C314 H31L 109.5 . .
N2 C401 C402 173(4) . .
C401 C402 H40A 109.5 . .
C401 C402 H40B 109.5 . .
H40A C402 H40B 109.5 . .
C401 C402 H40C 109.5 . .
H40A C402 H40C 109.5 . .
H40B C402 H40C 109.5 . .
N3 C501 C502 170(5) . .
C501 C502 H50A 109.5 . .
C501 C502 H50B 109.5 . .
H50A C502 H50B 109.5 . .
C501 C502 H50C 109.5 . .
H50A C502 H50C 109.5 . .
H50B C502 H50C 109.5 . .
N4 C511 C512 171(9) . .
C511 C512 H51A 109.5 . .
C511 C512 H51B 109.5 . .
H51A C512 H51B 109.5 . .
C511 C512 H51C 109.5 . .
H51A C512 H51C 109.5 . .
H51B C512 H51C 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 2.004(9) .
Pt1 C1 2.033(10) .
Pt1 P1 2.270(2) .
Pt1 Pt2 2.6742(5) .
Pt1 Pt3 2.6780(5) .
Pt1 Pt4 3.2075(5) .
Pt2 C4 1.880(11) .
Pt2 C3 2.088(11) .
Pt2 C5 2.143(9) .
Pt2 Pt3 2.6513(5) .
Pt2 Pt3 2.9728(5) 2_565
Pt2 Pt5 3.0284(5) .
Pt3 C2 1.879(12) .
Pt3 C3 2.050(10) .
Pt3 C1 2.119(11) .
Pt3 Pt2 2.9728(5) 2_565
Pt3 Pt6 3.0440(5) .
Pt4 C6 1.998(11) .
Pt4 C10 2.026(10) .
Pt4 P2 2.251(2) .
Pt4 Pt5 2.6607(5) .
Pt4 Pt6 2.6625(5) .
Pt5 C7 1.870(11) .
Pt5 C8 2.074(12) .
Pt5 C6 2.109(10) .
Pt5 Pt6 2.6761(6) .
Pt6 C9 1.880(11) .
Pt6 C8 2.046(11) .
Pt6 C10 2.099(11) .
C1 O1 1.165(12) .
C2 O2 1.138(13) .
C3 O3 1.175(11) .
C4 O4 1.138(12) .
C5 O5 1.178(11) .
C6 O6 1.180(12) .
C7 O7 1.146(13) .
C8 O8 1.167(12) .
C9 O9 1.128(12) .
C10 O10 1.144(12) .
P1 C113 1.832(9) .
P1 C107 1.833(5) .
P1 C101 1.839(5) .
P2 C213 1.811(10) .
P2 C201 1.832(5) .
P2 C207 1.837(5) .
C101 C102 1.3900 .
C101 C106 1.3900 .
C102 C103 1.3900 .
C102 H102 0.9500 .
C103 C104 1.3900 .
C103 H103 0.9500 .
C104 C105 1.3900 .
C104 H104 0.9500 .
C105 C106 1.3900 .
C105 H105 0.9500 .
C106 H106 0.9500 .
C107 C108 1.3900 .
C107 C112 1.3900 .
C108 C109 1.3900 .
C108 H108 0.9500 .
C109 C110 1.3900 .
C109 H109 0.9500 .
C110 C111 1.3900 .
C110 H110 0.9500 .
C111 C112 1.3900 .
C111 H111 0.9500 .
C112 H112 0.9500 .
C113 C213 1.537(12) .
C113 H11A 0.9900 .
C113 H11B 0.9900 .
C201 C202 1.3900 .
C201 C206 1.3900 .
C202 C203 1.3900 .
C202 H202 0.9500 .
C203 C204 1.3900 .
C203 H203 0.9500 .
C204 C205 1.3900 .
C204 H204 0.9500 .
C205 C206 1.3900 .
C205 H205 0.9500 .
C206 H206 0.9500 .
C207 C208 1.3900 .
C207 C212 1.3900 .
C208 C209 1.3900 .
C208 H208 0.9500 .
C209 C210 1.3900 .
C209 H209 0.9500 .
C210 C211 1.3900 .
C210 H210 0.9500 .
C211 C212 1.3900 .
C211 H211 0.9500 .
C212 H212 0.9500 .
C213 H21A 0.9900 .
C213 H21B 0.9900 .
N1 C302 1.466(15) .
N1 C314 1.472(16) .
N1 C303 1.473(14) .
N1 C313 1.477(15) .
N1 C311 1.482(14) .
N1 C301 1.487(15) .
N1 C312 1.520(16) .
N1 C304 1.536(16) .
C301 H30A 0.9800 .
C301 H30B 0.9800 .
C301 H30C 0.9800 .
C302 H30D 0.9800 .
C302 H30E 0.9800 .
C302 H30F 0.9800 .
C303 H30G 0.9800 .
C303 H30H 0.9800 .
C303 H30I 0.9800 .
C304 H30J 0.9800 .
C304 H30K 0.9800 .
C304 H30L 0.9800 .
C311 H31A 0.9800 .
C311 H31B 0.9800 .
C311 H31C 0.9800 .
C312 H31D 0.9800 .
C312 H31E 0.9800 .
C312 H31F 0.9800 .
C313 H31G 0.9800 .
C313 H31H 0.9800 .
C313 H31I 0.9800 .
C314 H31J 0.9800 .
C314 H31K 0.9800 .
C314 H31L 0.9800 .
N2 C401 1.191(18) .
C401 C402 1.446(18) .
C402 H40A 0.9800 .
C402 H40B 0.9800 .
C402 H40C 0.9800 .
N3 C501 1.156(17) .
C501 C502 1.452(17) .
C502 H50A 0.9800 .
C502 H50B 0.9800 .
C502 H50C 0.9800 .
N4 C511 1.148(17) .
C511 C512 1.462(17) .
C512 H51A 0.9800 .
C512 H51B 0.9800 .
C512 H51C 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 C4 3.4(6) . .
C1 Pt1 Pt2 C4 174.2(6) . .
P1 Pt1 Pt2 C4 -14.5(6) . .
Pt3 Pt1 Pt2 C4 -179.4(6) . .
Pt4 Pt1 Pt2 C4 76.7(6) . .
C5 Pt1 Pt2 C3 -168.2(4) . .
C1 Pt1 Pt2 C3 2.6(4) . .
P1 Pt1 Pt2 C3 173.9(3) . .
Pt3 Pt1 Pt2 C3 9.0(3) . .
Pt4 Pt1 Pt2 C3 -94.9(3) . .
C1 Pt1 Pt2 C5 170.8(4) . .
P1 Pt1 Pt2 C5 -17.9(4) . .
Pt3 Pt1 Pt2 C5 177.2(3) . .
Pt4 Pt1 Pt2 C5 73.3(3) . .
C5 Pt1 Pt2 Pt3 -177.2(3) . .
C1 Pt1 Pt2 Pt3 -6.4(3) . .
P1 Pt1 Pt2 Pt3 164.89(15) . .
Pt4 Pt1 Pt2 Pt3 -103.912(15) . .
C5 Pt1 Pt2 Pt3 89.6(3) . 2_565
C1 Pt1 Pt2 Pt3 -99.6(3) . 2_565
P1 Pt1 Pt2 Pt3 71.72(15) . 2_565
Pt3 Pt1 Pt2 Pt3 -93.176(15) . 2_565
Pt4 Pt1 Pt2 Pt3 162.912(14) . 2_565
C5 Pt1 Pt2 Pt5 -88.4(3) . .
C1 Pt1 Pt2 Pt5 82.4(3) . .
P1 Pt1 Pt2 Pt5 -106.29(15) . .
Pt3 Pt1 Pt2 Pt5 88.821(16) . .
Pt4 Pt1 Pt2 Pt5 -15.091(14) . .
C4 Pt2 Pt3 C2 -2.8(11) . .
C3 Pt2 Pt3 C2 9.3(9) . .
C5 Pt2 Pt3 C2 175.9(8) . .
Pt1 Pt2 Pt3 C2 178.1(8) . .
Pt3 Pt2 Pt3 C2 -98.9(8) 2_565 .
Pt5 Pt2 Pt3 C2 80.4(8) . .
C4 Pt2 Pt3 C3 -12.1(8) . .
C5 Pt2 Pt3 C3 166.6(4) . .
Pt1 Pt2 Pt3 C3 168.8(3) . .
Pt3 Pt2 Pt3 C3 -108.2(3) 2_565 .
Pt5 Pt2 Pt3 C3 71.1(3) . .
C4 Pt2 Pt3 C1 -174.8(8) . .
C3 Pt2 Pt3 C1 -162.7(4) . .
C5 Pt2 Pt3 C1 3.9(4) . .
Pt1 Pt2 Pt3 C1 6.1(3) . .
Pt3 Pt2 Pt3 C1 89.1(3) 2_565 .
Pt5 Pt2 Pt3 C1 -91.6(3) . .
C4 Pt2 Pt3 Pt1 179.2(8) . .
C3 Pt2 Pt3 Pt1 -168.8(3) . .
C5 Pt2 Pt3 Pt1 -2.2(3) . .
Pt3 Pt2 Pt3 Pt1 83.023(14) 2_565 .
Pt5 Pt2 Pt3 Pt1 -97.664(15) . .
C4 Pt2 Pt3 Pt2 96.1(8) . 2_565
C3 Pt2 Pt3 Pt2 108.2(3) . 2_565
C5 Pt2 Pt3 Pt2 -85.2(3) . 2_565
Pt1 Pt2 Pt3 Pt2 -83.023(14) . 2_565
Pt3 Pt2 Pt3 Pt2 0.0 2_565 2_565
Pt5 Pt2 Pt3 Pt2 179.313(16) . 2_565
C4 Pt2 Pt3 Pt6 -99.3(8) . .
C3 Pt2 Pt3 Pt6 -87.2(3) . .
C5 Pt2 Pt3 Pt6 79.4(3) . .
Pt1 Pt2 Pt3 Pt6 81.545(14) . .
Pt3 Pt2 Pt3 Pt6 164.568(16) 2_565 .
Pt5 Pt2 Pt3 Pt6 -16.119(13) . .
C5 Pt1 Pt3 C2 -176.2(7) . .
C1 Pt1 Pt3 C2 -6.2(7) . .
P1 Pt1 Pt3 C2 13.2(6) . .
Pt2 Pt1 Pt3 C2 -178.5(6) . .
Pt4 Pt1 Pt3 C2 -104.6(6) . .
C5 Pt1 Pt3 C3 -6.9(4) . .
C1 Pt1 Pt3 C3 163.0(5) . .
P1 Pt1 Pt3 C3 -177.5(3) . .
Pt2 Pt1 Pt3 C3 -9.3(3) . .
Pt4 Pt1 Pt3 C3 64.7(3) . .
C5 Pt1 Pt3 C1 -169.9(5) . .
P1 Pt1 Pt3 C1 19.5(4) . .
Pt2 Pt1 Pt3 C1 -172.3(4) . .
Pt4 Pt1 Pt3 C1 -98.3(4) . .
C5 Pt1 Pt3 Pt2 2.4(3) . .
C1 Pt1 Pt3 Pt2 172.3(4) . .
P1 Pt1 Pt3 Pt2 -168.25(12) . .
Pt4 Pt1 Pt3 Pt2 73.981(14) . .
C5 Pt1 Pt3 Pt2 96.2(3) . 2_565
C1 Pt1 Pt3 Pt2 -93.9(4) . 2_565
P1 Pt1 Pt3 Pt2 -74.48(12) . 2_565
Pt2 Pt1 Pt3 Pt2 93.763(15) . 2_565
Pt4 Pt1 Pt3 Pt2 167.744(14) . 2_565
C5 Pt1 Pt3 Pt6 -87.3(3) . .
C1 Pt1 Pt3 Pt6 82.6(4) . .
P1 Pt1 Pt3 Pt6 102.03(11) . .
Pt2 Pt1 Pt3 Pt6 -89.719(15) . .
Pt4 Pt1 Pt3 Pt6 -15.738(13) . .
C5 Pt1 Pt4 C6 20.0(4) . .
C1 Pt1 Pt4 C6 -142.3(4) . .
P1 Pt1 Pt4 C6 120.0(3) . .
Pt2 Pt1 Pt4 C6 -33.4(3) . .
Pt3 Pt1 Pt4 C6 -90.6(3) . .
C5 Pt1 Pt4 C10 -179.3(4) . .
C1 Pt1 Pt4 C10 18.4(4) . .
P1 Pt1 Pt4 C10 -79.3(3) . .
Pt2 Pt1 Pt4 C10 127.3(3) . .
Pt3 Pt1 Pt4 C10 70.1(3) . .
C5 Pt1 Pt4 P2 -82.9(3) . .
C1 Pt1 Pt4 P2 114.9(3) . .
P1 Pt1 Pt4 P2 17.13(9) . .
Pt2 Pt1 Pt4 P2 -136.20(7) . .
Pt3 Pt1 Pt4 P2 166.58(7) . .
C5 Pt1 Pt4 Pt5 70.4(3) . .
C1 Pt1 Pt4 Pt5 -91.8(3) . .
P1 Pt1 Pt4 Pt5 170.44(6) . .
Pt2 Pt1 Pt4 Pt5 17.105(16) . .
Pt3 Pt1 Pt4 Pt5 -40.114(17) . .
C5 Pt1 Pt4 Pt6 128.8(3) . .
C1 Pt1 Pt4 Pt6 -33.5(3) . .
P1 Pt1 Pt4 Pt6 -131.20(6) . .
Pt2 Pt1 Pt4 Pt6 75.464(15) . .
Pt3 Pt1 Pt4 Pt6 18.246(15) . .
C6 Pt4 Pt5 C7 -1.9(8) . .
C10 Pt4 Pt5 C7 164.6(8) . .
P2 Pt4 Pt5 C7 3.3(7) . .
Pt6 Pt4 Pt5 C7 173.6(7) . .
Pt1 Pt4 Pt5 C7 -113.5(7) . .
C6 Pt4 Pt5 C8 -162.0(5) . .
C10 Pt4 Pt5 C8 4.5(4) . .
P2 Pt4 Pt5 C8 -156.8(3) . .
Pt6 Pt4 Pt5 C8 13.6(3) . .
Pt1 Pt4 Pt5 C8 86.5(3) . .
C10 Pt4 Pt5 C6 166.6(5) . .
P2 Pt4 Pt5 C6 5.3(4) . .
Pt6 Pt4 Pt5 C6 175.6(4) . .
Pt1 Pt4 Pt5 C6 -111.5(4) . .
C6 Pt4 Pt5 Pt6 -175.6(4) . .
C10 Pt4 Pt5 Pt6 -9.0(3) . .
P2 Pt4 Pt5 Pt6 -170.32(14) . .
Pt1 Pt4 Pt5 Pt6 72.901(14) . .
C6 Pt4 Pt5 Pt2 96.6(4) . .
C10 Pt4 Pt5 Pt2 -96.8(3) . .
P2 Pt4 Pt5 Pt2 101.87(14) . .
Pt6 Pt4 Pt5 Pt2 -87.811(15) . .
Pt1 Pt4 Pt5 Pt2 -14.910(14) . .
C4 Pt2 Pt5 C7 23.3(5) . .
C3 Pt2 Pt5 C7 -84.4(5) . .
C5 Pt2 Pt5 C7 119.9(4) . .
Pt3 Pt2 Pt5 C7 -131.9(3) . .
Pt1 Pt2 Pt5 C7 167.6(3) . .
Pt3 Pt2 Pt5 C7 33.7(5) 2_565 .
C4 Pt2 Pt5 C8 127.7(4) . .
C3 Pt2 Pt5 C8 19.9(4) . .
C5 Pt2 Pt5 C8 -135.8(4) . .
Pt3 Pt2 Pt5 C8 -27.5(3) . .
Pt1 Pt2 Pt5 C8 -88.0(3) . .
Pt3 Pt2 Pt5 C8 138.1(5) 2_565 .
C4 Pt2 Pt5 C6 -78.8(4) . .
C3 Pt2 Pt5 C6 173.5(4) . .
C5 Pt2 Pt5 C6 17.8(4) . .
Pt3 Pt2 Pt5 C6 126.0(3) . .
Pt1 Pt2 Pt5 C6 65.5(3) . .
Pt3 Pt2 Pt5 C6 -68.4(5) 2_565 .
C4 Pt2 Pt5 Pt4 -126.2(3) . .
C3 Pt2 Pt5 Pt4 126.0(3) . .
C5 Pt2 Pt5 Pt4 -29.7(2) . .
Pt3 Pt2 Pt5 Pt4 78.608(16) . .
Pt1 Pt2 Pt5 Pt4 18.115(16) . .
Pt3 Pt2 Pt5 Pt4 -115.8(3) 2_565 .
C4 Pt2 Pt5 Pt6 173.6(3) . .
C3 Pt2 Pt5 Pt6 65.8(3) . .
C5 Pt2 Pt5 Pt6 -89.8(2) . .
Pt3 Pt2 Pt5 Pt6 18.413(15) . .
Pt1 Pt2 Pt5 Pt6 -42.081(16) . .
Pt3 Pt2 Pt5 Pt6 -176.0(3) 2_565 .
C6 Pt4 Pt6 C9 -171.3(7) . .
C10 Pt4 Pt6 C9 -5.9(7) . .
P2 Pt4 Pt6 C9 -4.3(6) . .
Pt5 Pt4 Pt6 C9 -175.0(6) . .
Pt1 Pt4 Pt6 C9 82.6(6) . .
C6 Pt4 Pt6 C8 -10.1(4) . .
C10 Pt4 Pt6 C8 155.3(5) . .
P2 Pt4 Pt6 C8 156.9(3) . .
Pt5 Pt4 Pt6 C8 -13.8(3) . .
Pt1 Pt4 Pt6 C8 -116.2(3) . .
C6 Pt4 Pt6 C10 -165.4(5) . .
P2 Pt4 Pt6 C10 1.6(4) . .
Pt5 Pt4 Pt6 C10 -169.1(4) . .
Pt1 Pt4 Pt6 C10 88.5(4) . .
C6 Pt4 Pt6 Pt5 3.7(3) . .
C10 Pt4 Pt6 Pt5 169.1(4) . .
P2 Pt4 Pt6 Pt5 170.74(13) . .
Pt1 Pt4 Pt6 Pt5 -102.344(15) . .
C6 Pt4 Pt6 Pt3 89.9(3) . .
C10 Pt4 Pt6 Pt3 -104.7(4) . .
P2 Pt4 Pt6 Pt3 -103.10(13) . .
Pt5 Pt4 Pt6 Pt3 86.165(16) . .
Pt1 Pt4 Pt6 Pt3 -16.179(14) . .
C7 Pt5 Pt6 C9 -0.2(11) . .
C8 Pt5 Pt6 C9 10.6(9) . .
C6 Pt5 Pt6 C9 169.9(9) . .
Pt4 Pt5 Pt6 C9 173.3(8) . .
Pt2 Pt5 Pt6 C9 -101.4(8) . .
C7 Pt5 Pt6 C8 -10.8(8) . .
C6 Pt5 Pt6 C8 159.3(5) . .
Pt4 Pt5 Pt6 C8 162.7(3) . .
Pt2 Pt5 Pt6 C8 -112.0(3) . .
C7 Pt5 Pt6 C10 -165.0(8) . .
C8 Pt5 Pt6 C10 -154.2(5) . .
C6 Pt5 Pt6 C10 5.1(4) . .
Pt4 Pt5 Pt6 C10 8.5(3) . .
Pt2 Pt5 Pt6 C10 93.9(3) . .
C7 Pt5 Pt6 Pt4 -173.5(7) . .
C8 Pt5 Pt6 Pt4 -162.7(3) . .
C6 Pt5 Pt6 Pt4 -3.4(3) . .
Pt2 Pt5 Pt6 Pt4 85.302(15) . .
C7 Pt5 Pt6 Pt3 85.2(7) . .
C8 Pt5 Pt6 Pt3 96.0(3) . .
C6 Pt5 Pt6 Pt3 -104.7(3) . .
Pt4 Pt5 Pt6 Pt3 -101.260(16) . .
Pt2 Pt5 Pt6 Pt3 -15.958(13) . .
C2 Pt3 Pt6 C9 18.7(5) . .
C3 Pt3 Pt6 C9 122.2(4) . .
C1 Pt3 Pt6 C9 -76.8(4) . .
Pt2 Pt3 Pt6 C9 173.2(3) . .
Pt1 Pt3 Pt6 C9 -126.2(3) . .
Pt2 Pt3 Pt6 C9 -113.6(3) 2_565 .
C2 Pt3 Pt6 C8 -86.2(5) . .
C3 Pt3 Pt6 C8 17.2(5) . .
C1 Pt3 Pt6 C8 178.2(4) . .
Pt2 Pt3 Pt6 C8 68.2(3) . .
Pt1 Pt3 Pt6 C8 128.9(3) . .
Pt2 Pt3 Pt6 C8 141.4(3) 2_565 .
C2 Pt3 Pt6 C10 114.4(5) . .
C3 Pt3 Pt6 C10 -142.2(4) . .
C1 Pt3 Pt6 C10 18.9(4) . .
Pt2 Pt3 Pt6 C10 -91.1(3) . .
Pt1 Pt3 Pt6 C10 -30.5(3) . .
Pt2 Pt3 Pt6 C10 -17.9(3) 2_565 .
C2 Pt3 Pt6 Pt4 164.2(3) . .
C3 Pt3 Pt6 Pt4 -92.4(3) . .
C1 Pt3 Pt6 Pt4 68.6(3) . .
Pt2 Pt3 Pt6 Pt4 -41.336(17) . .
Pt1 Pt3 Pt6 Pt4 19.302(16) . .
Pt2 Pt3 Pt6 Pt4 31.85(7) 2_565 .
C2 Pt3 Pt6 Pt5 -136.2(3) . .
C3 Pt3 Pt6 Pt5 -32.7(3) . .
C1 Pt3 Pt6 Pt5 128.3(3) . .
Pt2 Pt3 Pt6 Pt5 18.299(15) . .
Pt1 Pt3 Pt6 Pt5 78.937(16) . .
Pt2 Pt3 Pt6 Pt5 91.49(6) 2_565 .
C5 Pt1 C1 O1 -147.6(12) . .
P1 Pt1 C1 O1 13.8(14) . .
Pt2 Pt1 C1 O1 -170.1(13) . .
Pt3 Pt1 C1 O1 -177.1(16) . .
Pt4 Pt1 C1 O1 -87.2(14) . .
C5 Pt1 C1 Pt3 29.5(13) . .
P1 Pt1 C1 Pt3 -169.1(2) . .
Pt2 Pt1 C1 Pt3 7.1(3) . .
Pt4 Pt1 C1 Pt3 89.9(2) . .
C2 Pt3 C1 O1 -6.0(12) . .
C3 Pt3 C1 O1 138.5(11) . .
Pt2 Pt3 C1 O1 170.5(11) . .
Pt1 Pt3 C1 O1 177.6(14) . .
Pt2 Pt3 C1 O1 -99.4(11) 2_565 .
Pt6 Pt3 C1 O1 90.2(11) . .
C2 Pt3 C1 Pt1 176.4(4) . .
C3 Pt3 C1 Pt1 -39.1(10) . .
Pt2 Pt3 C1 Pt1 -7.0(3) . .
Pt2 Pt3 C1 Pt1 83.0(2) 2_565 .
Pt6 Pt3 C1 Pt1 -87.4(2) . .
C3 Pt3 C2 O2 118(29) . .
C1 Pt3 C2 O2 -77(29) . .
Pt2 Pt3 C2 O2 110(29) . .
Pt1 Pt3 C2 O2 -73(29) . .
Pt2 Pt3 C2 O2 12(29) 2_565 .
Pt6 Pt3 C2 O2 -156(29) . .
C2 Pt3 C3 O3 11.7(13) . .
C1 Pt3 C3 O3 -131.8(12) . .
Pt2 Pt3 C3 O3 -172.4(14) . .
Pt1 Pt3 C3 O3 -162.0(11) . .
Pt2 Pt3 C3 O3 109.1(12) 2_565 .
Pt6 Pt3 C3 O3 -84.6(12) . .
C2 Pt3 C3 Pt2 -175.9(4) . .
C1 Pt3 C3 Pt2 40.6(10) . .
Pt1 Pt3 C3 Pt2 10.4(3) . .
Pt2 Pt3 C3 Pt2 -78.5(2) 2_565 .
Pt6 Pt3 C3 Pt2 87.8(2) . .
C4 Pt2 C3 O3 -12.5(12) . .
C5 Pt2 C3 O3 141.7(10) . .
Pt3 Pt2 C3 O3 172.7(13) . .
Pt1 Pt2 C3 O3 162.4(10) . .
Pt3 Pt2 C3 O3 -109.6(11) 2_565 .
Pt5 Pt2 C3 O3 67.9(11) . .
C4 Pt2 C3 Pt3 174.8(4) . .
C5 Pt2 C3 Pt3 -31.1(10) . .
Pt1 Pt2 C3 Pt3 -10.3(3) . .
Pt3 Pt2 C3 Pt3 77.7(2) 2_565 .
Pt5 Pt2 C3 Pt3 -104.8(2) . .
C3 Pt2 C4 O4 175(26) . .
C5 Pt2 C4 O4 6(26) . .
Pt3 Pt2 C4 O4 -175(25) . .
Pt1 Pt2 C4 O4 3(26) . .
Pt3 Pt2 C4 O4 -80(26) 2_565 .
Pt5 Pt2 C4 O4 99(26) . .
C1 Pt1 C5 O5 152.2(12) . .
P1 Pt1 C5 O5 -8.8(14) . .
Pt2 Pt1 C5 O5 179.2(16) . .
Pt3 Pt1 C5 O5 176.6(13) . .
Pt4 Pt1 C5 O5 87.2(14) . .
C1 Pt1 C5 Pt2 -27.0(12) . .
P1 Pt1 C5 Pt2 171.98(16) . .
Pt3 Pt1 C5 Pt2 -2.6(3) . .
Pt4 Pt1 C5 Pt2 -92.0(2) . .
C4 Pt2 C5 O5 2.6(11) . .
C3 Pt2 C5 O5 -152.4(9) . .
Pt3 Pt2 C5 O5 -176.8(9) . .
Pt1 Pt2 C5 O5 -179.4(12) . .
Pt3 Pt2 C5 O5 95.0(10) 2_565 .
Pt5 Pt2 C5 O5 -82.3(10) . .
C4 Pt2 C5 Pt1 -178.0(4) . .
C3 Pt2 C5 Pt1 26.9(10) . .
Pt3 Pt2 C5 Pt1 2.6(3) . .
Pt3 Pt2 C5 Pt1 -85.6(2) 2_565 .
Pt5 Pt2 C5 Pt1 97.1(2) . .
C10 Pt4 C6 O6 143.4(14) . .
P2 Pt4 C6 O6 2.7(16) . .
Pt5 Pt4 C6 O6 -179.9(18) . .
Pt6 Pt4 C6 O6 176.0(14) . .
Pt1 Pt4 C6 O6 -100.3(15) . .
C10 Pt4 C6 Pt5 -36.7(12) . .
P2 Pt4 C6 Pt5 -177.4(2) . .
Pt6 Pt4 C6 Pt5 -4.1(4) . .
Pt1 Pt4 C6 Pt5 79.6(3) . .
C7 Pt5 C6 O6 -1.1(13) . .
C8 Pt5 C6 O6 -143.1(11) . .
Pt4 Pt5 C6 O6 179.9(14) . .
Pt6 Pt5 C6 O6 -176.1(11) . .
Pt2 Pt5 C6 O6 99.3(12) . .
C7 Pt5 C6 Pt4 179.0(4) . .
C8 Pt5 C6 Pt4 37.0(9) . .
Pt6 Pt5 C6 Pt4 4.0(3) . .
Pt2 Pt5 C6 Pt4 -80.6(3) . .
C8 Pt5 C7 O7 -44(26) . .
C6 Pt5 C7 O7 154(26) . .
Pt4 Pt5 C7 O7 156(25) . .
Pt6 Pt5 C7 O7 -36(26) . .
Pt2 Pt5 C7 O7 62(26) . .
C9 Pt6 C8 O8 9.3(14) . .
C10 Pt6 C8 O8 -122.9(13) . .
Pt4 Pt6 C8 O8 -159.7(12) . .
Pt5 Pt6 C8 O8 -175.4(14) . .
Pt3 Pt6 C8 O8 96.9(12) . .
C9 Pt6 C8 Pt5 -175.4(4) . .
C10 Pt6 C8 Pt5 52.4(8) . .
Pt4 Pt6 C8 Pt5 15.6(3) . .
Pt3 Pt6 C8 Pt5 -87.8(2) . .
C7 Pt5 C8 O8 -9.9(13) . .
C6 Pt5 C8 O8 132.1(12) . .
Pt4 Pt5 C8 O8 160.0(11) . .
Pt6 Pt5 C8 O8 175.5(14) . .
Pt2 Pt5 C8 O8 -113.2(12) . .
C7 Pt5 C8 Pt6 174.5(4) . .
C6 Pt5 C8 Pt6 -43.4(9) . .
Pt4 Pt5 C8 Pt6 -15.6(3) . .
Pt2 Pt5 C8 Pt6 71.3(2) . .
C8 Pt6 C9 O9 176(26) . .
C10 Pt6 C9 O9 -27(27) . .
Pt4 Pt6 C9 O9 -22(27) . .
Pt5 Pt6 C9 O9 168(26) . .
Pt3 Pt6 C9 O9 81(27) . .
C6 Pt4 C10 O10 -136.4(14) . .
P2 Pt4 C10 O10 4.4(16) . .
Pt5 Pt4 C10 O10 -166.4(14) . .
Pt6 Pt4 C10 O10 -176.5(18) . .
Pt1 Pt4 C10 O10 102.5(16) . .
C6 Pt4 C10 Pt6 40.0(12) . .
P2 Pt4 C10 Pt6 -179.2(2) . .
Pt5 Pt4 C10 Pt6 10.1(3) . .
Pt1 Pt4 C10 Pt6 -81.0(2) . .
C9 Pt6 C10 O10 -6.4(13) . .
C8 Pt6 C10 O10 127.6(12) . .
Pt4 Pt6 C10 O10 177.0(15) . .
Pt5 Pt6 C10 O10 167.2(12) . .
Pt3 Pt6 C10 O10 -94.4(12) . .
C9 Pt6 C10 Pt4 176.6(4) . .
C8 Pt6 C10 Pt4 -49.4(9) . .
Pt5 Pt6 C10 Pt4 -9.9(3) . .
Pt3 Pt6 C10 Pt4 88.5(3) . .
C5 Pt1 P1 C113 79.4(4) . .
C1 Pt1 P1 C113 -94.4(4) . .
Pt2 Pt1 P1 C113 93.8(4) . .
Pt3 Pt1 P1 C113 -109.6(3) . .
Pt4 Pt1 P1 C113 7.3(3) . .
C5 Pt1 P1 C107 -37.5(4) . .
C1 Pt1 P1 C107 148.7(4) . .
Pt2 Pt1 P1 C107 -23.1(4) . .
Pt3 Pt1 P1 C107 133.6(3) . .
Pt4 Pt1 P1 C107 -109.5(3) . .
C5 Pt1 P1 C101 -160.2(4) . .
C1 Pt1 P1 C101 26.0(4) . .
Pt2 Pt1 P1 C101 -145.8(3) . .
Pt3 Pt1 P1 C101 10.9(3) . .
Pt4 Pt1 P1 C101 127.8(3) . .
C6 Pt4 P2 C213 -109.4(5) . .
C10 Pt4 P2 C213 84.0(4) . .
Pt5 Pt4 P2 C213 -113.6(3) . .
Pt6 Pt4 P2 C213 82.8(4) . .
Pt1 Pt4 P2 C213 2.0(3) . .
C6 Pt4 P2 C201 10.1(4) . .
C10 Pt4 P2 C201 -156.5(4) . .
Pt5 Pt4 P2 C201 5.9(3) . .
Pt6 Pt4 P2 C201 -157.7(2) . .
Pt1 Pt4 P2 C201 121.5(3) . .
C6 Pt4 P2 C207 131.1(4) . .
C10 Pt4 P2 C207 -35.5(4) . .
Pt5 Pt4 P2 C207 126.9(3) . .
Pt6 Pt4 P2 C207 -36.7(3) . .
Pt1 Pt4 P2 C207 -117.5(3) . .
C113 P1 C101 C102 164.1(5) . .
C107 P1 C101 C102 -91.1(5) . .
Pt1 P1 C101 C102 39.4(5) . .
C113 P1 C101 C106 -17.0(6) . .
C107 P1 C101 C106 87.8(5) . .
Pt1 P1 C101 C106 -141.7(4) . .
C106 C101 C102 C103 0.0 . .
P1 C101 C102 C103 178.9(5) . .
C101 C102 C103 C104 0.0 . .
C102 C103 C104 C105 0.0 . .
C103 C104 C105 C106 0.0 . .
C104 C105 C106 C101 0.0 . .
C102 C101 C106 C105 0.0 . .
P1 C101 C106 C105 -178.9(5) . .
C113 P1 C107 C108 51.9(5) . .
C101 P1 C107 C108 -56.1(5) . .
Pt1 P1 C107 C108 175.1(4) . .
C113 P1 C107 C112 -124.1(5) . .
C101 P1 C107 C112 127.9(5) . .
Pt1 P1 C107 C112 -1.0(6) . .
C112 C107 C108 C109 0.0 . .
P1 C107 C108 C109 -176.0(6) . .
C107 C108 C109 C110 0.0 . .
C108 C109 C110 C111 0.0 . .
C109 C110 C111 C112 0.0 . .
C110 C111 C112 C107 0.0 . .
C108 C107 C112 C111 0.0 . .
P1 C107 C112 C111 176.0(6) . .
C107 P1 C113 C213 59.6(7) . .
C101 P1 C113 C213 166.1(6) . .
Pt1 P1 C113 C213 -67.4(7) . .
C213 P2 C201 C202 38.2(5) . .
C207 P2 C201 C202 145.8(4) . .
Pt4 P2 C201 C202 -87.7(4) . .
C213 P2 C201 C206 -145.2(5) . .
C207 P2 C201 C206 -37.7(5) . .
Pt4 P2 C201 C206 88.8(4) . .
C206 C201 C202 C203 0.0 . .
P2 C201 C202 C203 176.5(5) . .
C201 C202 C203 C204 0.0 . .
C202 C203 C204 C205 0.0 . .
C203 C204 C205 C206 0.0 . .
C204 C205 C206 C201 0.0 . .
C202 C201 C206 C205 0.0 . .
P2 C201 C206 C205 -176.5(5) . .
C213 P2 C207 C208 20.0(5) . .
C201 P2 C207 C208 -87.2(5) . .
Pt4 P2 C207 C208 145.7(3) . .
C213 P2 C207 C212 -157.8(4) . .
C201 P2 C207 C212 95.0(4) . .
Pt4 P2 C207 C212 -32.1(4) . .
C212 C207 C208 C209 0.0 . .
P2 C207 C208 C209 -177.7(5) . .
C207 C208 C209 C210 0.0 . .
C208 C209 C210 C211 0.0 . .
C209 C210 C211 C212 0.0 . .
C210 C211 C212 C207 0.0 . .
C208 C207 C212 C211 0.0 . .
P2 C207 C212 C211 177.8(5) . .
P1 C113 C213 P2 109.9(6) . .
C201 P2 C213 C113 172.6(6) . .
C207 P2 C213 C113 64.4(7) . .
Pt4 P2 C213 C113 -61.1(7) . .
