# Supplementary Material (ESI) for Chemical Science
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               'Chemical Science'

_journal_coden_Cambridge         1475

_publ_contact_author_name        'Murahashi, Tetsuro'
_publ_contact_author_email       tetsu@chem.eng.osaka-u.ac.jp

_publ_section_title              
;
Metallocenoids of Platinum: Syntheses and Structures of
Triangular Triplatinum Sandwich Complexes of Cycloheptatrienyl
;
loop_
_publ_author_name
T.Murahashi
K.Usui
R.Inoue
S.Ogoshi
H.Kurosawa

# Attachment '1--C2H4-Pt3Tr2-ethylene-3.cif'

data_usui3
_database_code_depnum_ccdc_archive 'CCDC 773671'
#TrackingRef '1--C2H4-Pt3Tr2-ethylene-3.cif'

#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C84 H50 B2 F48 Pt3 '
_chemical_formula_moiety         'C84 H50 B2 F48 Pt3 '
_chemical_formula_weight         2578.13
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
_cell_length_a                   19.6876(5)
_cell_length_b                   18.0489(4)
_cell_length_c                   24.2236(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.8498(9)
_cell_angle_gamma                90
_cell_volume                     8320.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    31893
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    123.2
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    2.058
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    5.166
_exptl_absorpt_correction_type   none
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            40753
_diffrn_reflns_av_R_equivalents  0.127
_diffrn_reflns_theta_min         ?
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > 3.0 sigma(F^2^). The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero
for negative F. The threshold expression of F^2^ > 3.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             9496
_reflns_number_gt                8507
_reflns_threshold_expression     >2.0sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1717
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         8507
_refine_ls_number_parameters     645
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_shift/su_max          0.0170
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_diff_density_max         7.13
_refine_diff_density_min         -5.11
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.0000 0.17608(2) 0.2500 0.0178(1) Uani 1.00 d S . .
Pt(2) Pt -0.07364(1) 0.30988(1) 0.23168(1) 0.0254(1) Uani 1.00 d . . .
F(1) F -0.2335(3) 0.3302(2) -0.2388(2) 0.043(1) Uani 1.00 d . . .
F(2) F -0.3097(3) 0.3859(4) -0.2060(2) 0.070(2) Uani 1.00 d . . .
F(3) F -0.2157(3) 0.4416(2) -0.2131(2) 0.061(2) Uani 1.00 d . . .
F(4) F -0.2430(3) 0.4412(4) 0.0087(2) 0.075(2) Uani 1.00 d . . .
F(5) F -0.1858(6) 0.3569(10) 0.0562(2) 0.29(1) Uani 1.00 d . . .
F(6) F -0.2898(4) 0.3364(4) 0.0016(3) 0.103(3) Uani 1.00 d . . .
F(7) F -0.2335(2) -0.0084(2) -0.1498(2) 0.0324(8) Uani 1.00 d . . .
F(8) F -0.1387(2) -0.0482(2) -0.1659(2) 0.047(1) Uani 1.00 d . . .
F(9) F -0.1830(2) 0.0550(2) -0.2032(1) 0.0366(10) Uani 1.00 d . . .
F(10) F 0.2249(3) 0.1949(3) 0.1282(2) 0.061(2) Uani 1.00 d . . .
F(11) F 0.2129(2) 0.1466(2) 0.0448(2) 0.051(1) Uani 1.00 d . . .
F(12) F 0.2738(2) 0.2445(2) 0.0687(2) 0.0408(10) Uani 1.00 d . . .
F(13) F 0.1250(9) 0.0879(6) -0.1693(5) 0.056(4) Uani 0.50 d P . .
F(14) F 0.0782(9) 0.128(1) -0.2501(6) 0.082(8) Uani 0.50 d P . .
F(15) F 0.1802(6) 0.1639(7) -0.2048(8) 0.055(3) Uani 0.50 d P . .
F(16) F 0.1288(4) 0.4525(3) -0.1327(2) 0.078(2) Uani 1.00 d . . .
F(17) F 0.1045(4) 0.4340(3) -0.2230(2) 0.069(2) Uani 1.00 d . . .
F(18) F 0.0254(3) 0.4686(2) -0.1825(2) 0.060(1) Uani 1.00 d . . .
F(19) F -0.0125(2) 0.0282(2) 0.0910(1) 0.0299(8) Uani 1.00 d . . .
F(20) F -0.0907(3) -0.0524(2) 0.0517(1) 0.037(1) Uani 1.00 d . . .
F(21) F -0.1212(2) 0.0508(2) 0.0818(1) 0.0270(8) Uani 1.00 d . . .
F(22) F 0.1071(3) 0.5002(2) 0.0269(2) 0.058(1) Uani 1.00 d . . .
F(23) F 0.1409(3) 0.4682(3) 0.1159(2) 0.062(2) Uani 1.00 d . . .
F(24) F 0.0327(3) 0.4776(2) 0.0733(2) 0.052(1) Uani 1.00 d . . .
F(25) F 0.651(1) 0.3159(7) 0.2606(9) 0.094(7) Uani 0.50 d P . .
F(26) F 0.575(1) 0.3897(9) 0.2692(10) 0.092(9) Uani 0.50 d P . .
F(27) F 0.665(1) 0.375(1) 0.3368(7) 0.117(9) Uani 0.50 d P . .
C(1) C 0.0888(4) 0.2253(5) 0.1860(3) 0.041(2) Uani 1.00 d . . .
C(2) C 0.0298(6) 0.1771(4) 0.1703(3) 0.038(2) Uani 1.00 d . . .
C(3) C -0.0428(4) 0.1956(4) 0.1545(3) 0.030(1) Uani 1.00 d . . .
C(4) C -0.0735(4) 0.2681(4) 0.1477(3) 0.032(1) Uani 1.00 d . . .
C(5) C -0.0395(5) 0.3382(4) 0.1562(3) 0.038(2) Uani 1.00 d . . .
C(6) C -0.0324(5) 0.3545(4) 0.3251(3) 0.048(2) Uani 1.00 d . . .
C(7) C -0.0899(5) 0.3030(5) 0.3161(4) 0.045(2) Uani 1.00 d . . .
C(8) C -0.1576(4) 0.3957(4) 0.2095(4) 0.050(2) Uani 1.00 d . . .
C(9) C -0.1907(4) 0.3267(4) 0.1997(3) 0.038(2) Uani 1.00 d . . .
C(10) C -0.0349(3) 0.0584(3) 0.2367(3) 0.027(1) Uani 1.00 d . . .
C(11) C -0.1013(3) 0.2934(3) -0.0753(2) 0.018(1) Uani 1.00 d . . .
C(12) C -0.1334(3) 0.3102(3) -0.0318(2) 0.022(1) Uani 1.00 d . . .
C(13) C -0.1959(4) 0.3491(4) -0.0409(3) 0.035(2) Uani 1.00 d . . .
C(14) C -0.2311(3) 0.3709(4) -0.0943(2) 0.027(1) Uani 1.00 d . . .
C(15) C -0.2033(3) 0.3544(3) -0.1393(2) 0.019(1) Uani 1.00 d . . .
C(16) C -0.1398(3) 0.3159(3) -0.1303(2) 0.018(1) Uani 1.00 d . . .
C(17) C -0.2405(4) 0.3791(4) -0.1989(3) 0.029(1) Uani 1.00 d . . .
C(18) C -0.2256(6) 0.3709(8) 0.0091(4) 0.076(4) Uani 1.00 d . . .
C(19) C 0.0310(3) 0.2727(3) -0.0086(2) 0.018(1) Uani 1.00 d . . .
C(20) C 0.0339(3) 0.3462(3) 0.0115(2) 0.022(1) Uani 1.00 d . . .
C(21) C 0.0928(4) 0.3745(3) 0.0491(2) 0.026(1) Uani 1.00 d . . .
C(22) C 0.1535(4) 0.3319(4) 0.0682(3) 0.027(1) Uani 1.00 d . . .
C(23) C 0.1512(3) 0.2584(3) 0.0505(2) 0.022(1) Uani 1.00 d . . .
C(24) C 0.0917(3) 0.2296(3) 0.0127(2) 0.020(1) Uani 1.00 d . . .
C(25) C 0.2153(4) 0.2118(4) 0.0729(3) 0.029(1) Uani 1.00 d . . .
C(26) C 0.0956(5) 0.4549(4) 0.0663(3) 0.037(2) Uani 1.00 d . . .
C(27) C 0.0092(3) 0.2556(3) -0.1156(2) 0.018(1) Uani 1.00 d . . .
C(28) C 0.0227(3) 0.3291(3) -0.1301(2) 0.022(1) Uani 1.00 d . . .
C(29) C 0.0636(3) 0.3444(3) -0.1674(3) 0.025(1) Uani 1.00 d . . .
C(30) C 0.0953(3) 0.2884(4) -0.1912(3) 0.027(1) Uani 1.00 d . . .
C(31) C 0.0821(3) 0.2157(3) -0.1773(2) 0.023(1) Uani 1.00 d . . .
C(32) C 0.0402(3) 0.1997(3) -0.1409(2) 0.020(1) Uani 1.00 d . . .
C(33) C 0.1166(4) 0.1533(4) -0.2015(3) 0.033(1) Uani 1.00 d . . .
C(34) C 0.0797(5) 0.4238(4) -0.1761(3) 0.041(2) Uani 1.00 d . . .
C(35) C -0.0572(3) 0.1588(3) -0.0584(2) 0.018(1) Uani 1.00 d . . .
C(36) C -0.0977(3) 0.1227(3) -0.1068(2) 0.017(1) Uani 1.00 d . . .
C(37) C -0.1288(3) 0.0538(3) -0.1030(2) 0.016(1) Uani 1.00 d . . .
C(38) C -0.1218(3) 0.0195(3) -0.0506(2) 0.020(1) Uani 1.00 d . . .
C(39) C -0.0812(3) 0.0543(3) -0.0026(2) 0.016(1) Uani 1.00 d . . .
C(40) C -0.0498(3) 0.1228(3) -0.0063(2) 0.018(1) Uani 1.00 d . . .
C(41) C -0.0763(3) 0.0199(3) 0.0550(2) 0.018(1) Uani 1.00 d . . .
C(42) C -0.1709(3) 0.0143(3) -0.1554(2) 0.022(1) Uani 1.00 d . . .
B(1) B -0.0297(3) 0.2441(3) -0.0641(3) 0.017(1) Uani 1.00 d . . .
H(1) H -0.1108 0.2951 0.0064 0.0260 Uiso 1.00 calc . . .
H(2) H -0.2741 0.3977 -0.0999 0.0321 Uiso 1.00 calc . . .
H(3) H -0.1220 0.3036 -0.1621 0.0224 Uiso 1.00 calc . . .
H(4) H -0.0065 0.3777 -0.0019 0.0263 Uiso 1.00 calc . . .
H(5) H 0.1949 0.3526 0.0931 0.0331 Uiso 1.00 calc . . .
H(6) H 0.0921 0.1790 0.0011 0.0238 Uiso 1.00 calc . . .
H(7) H 0.0033 0.3696 -0.1133 0.0258 Uiso 1.00 calc . . .
H(8) H 0.1240 0.2991 -0.2161 0.0346 Uiso 1.00 calc . . .
H(9) H 0.0323 0.1487 -0.1327 0.0253 Uiso 1.00 calc . . .
H(10) H -0.1049 0.1457 -0.1434 0.0203 Uiso 1.00 calc . . .
H(11) H -0.1441 -0.0272 -0.0478 0.0237 Uiso 1.00 calc . . .
H(12) H -0.0236 0.1462 0.0281 0.0219 Uiso 1.00 calc . . .
H(13) H -0.0663 0.3857 0.1355 0.0912 Uiso 1.00 calc . . .
H(14) H -0.1238 0.2638 0.1215 0.0912 Uiso 1.00 calc . . .
H(15) H -0.0875 0.1605 0.1309 0.0912 Uiso 1.00 calc . . .
H(16) H 0.0362 0.1213 0.1700 0.0912 Uiso 1.00 calc . . .
H(17) H 0.1280 0.2001 0.2061 0.0912 Uiso 1.00 calc . . .
H(18) H -0.0738 0.0540 0.2591 0.0912 Uiso 1.00 calc . . .
H(19) H -0.2158 0.2999 0.2305 0.0912 Uiso 1.00 calc . . .
H(20) H -0.1502 0.4174 0.2507 0.0912 Uiso 1.00 calc . . .
H(21) H -0.1370 0.3149 0.3126 0.0912 Uiso 1.00 calc . . .
H(22) H -0.0450 0.4060 0.3176 0.0507 Uiso 1.00 calc . . .
H(23) H -0.1432 0.4224 0.1798 0.0507 Uiso 1.00 calc . . .
H(24) H -0.1915 0.3008 0.1649 0.0507 Uiso 1.00 calc . . .
H(25) H -0.0488 0.0622 0.1958 0.0507 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.0205(2) 0.0138(2) 0.0170(2) 0.0000 0.0010(1) 0.0000
Pt(2) 0.0238(2) 0.0171(2) 0.0364(2) 0.00372(8) 0.0098(1) 0.00320(8)
F(1) 0.045(3) 0.048(2) 0.031(2) 0.004(2) 0.000(2) -0.009(2)
F(2) 0.034(3) 0.137(5) 0.033(2) 0.040(3) -0.001(2) 0.006(3)
F(3) 0.091(4) 0.040(2) 0.036(2) -0.017(3) -0.017(2) 0.015(2)
F(4) 0.064(4) 0.109(5) 0.059(3) 0.006(4) 0.027(3) -0.045(3)
F(5) 0.19(1) 0.66(3) 0.024(3) 0.32(2) 0.042(4) 0.076(7)
F(6) 0.122(7) 0.086(4) 0.147(6) 0.037(4) 0.117(6) 0.047(4)
F(7) 0.023(2) 0.042(2) 0.029(2) -0.009(2) 0.002(2) 0.000(2)
F(8) 0.039(3) 0.043(2) 0.049(2) 0.014(2) -0.006(2) -0.028(2)
F(9) 0.049(3) 0.040(2) 0.017(2) -0.020(2) 0.001(2) 0.000(1)
F(10) 0.049(3) 0.098(4) 0.036(2) 0.032(3) 0.013(2) 0.034(2)
F(11) 0.030(2) 0.031(2) 0.082(3) 0.011(2) -0.006(2) -0.006(2)
F(12) 0.015(2) 0.052(3) 0.052(2) -0.002(2) 0.002(2) 0.007(2)
F(13) 0.10(1) 0.038(6) 0.046(7) 0.034(6) 0.041(8) 0.004(5)
F(14) 0.044(10) 0.15(2) 0.034(6) 0.05(1) -0.021(6) -0.055(8)
F(15) 0.028(5) 0.037(6) 0.11(1) -0.002(4) 0.032(7) -0.016(6)
F(16) 0.093(5) 0.054(3) 0.076(4) -0.047(3) 0.002(3) 0.010(3)
F(17) 0.108(5) 0.048(3) 0.079(3) -0.006(3) 0.072(4) 0.021(3)
F(18) 0.079(4) 0.027(2) 0.090(4) 0.006(2) 0.051(3) 0.016(2)
F(19) 0.022(2) 0.042(2) 0.023(2) 0.008(2) 0.003(1) 0.011(1)
F(20) 0.069(3) 0.017(2) 0.025(2) -0.003(2) 0.013(2) 0.004(1)
F(21) 0.026(2) 0.038(2) 0.020(2) 0.008(2) 0.011(1) 0.003(1)
F(22) 0.092(4) 0.025(2) 0.060(3) -0.016(2) 0.027(3) 0.002(2)
F(23) 0.076(4) 0.031(2) 0.061(3) -0.009(2) -0.018(3) -0.020(2)
F(24) 0.063(3) 0.033(2) 0.058(3) 0.005(2) 0.014(3) -0.019(2)
F(25) 0.16(2) 0.037(7) 0.13(1) 0.002(8) 0.13(2) 0.016(7)
F(26) 0.07(1) 0.040(7) 0.19(2) 0.030(7) 0.07(1) 0.08(1)
F(27) 0.13(2) 0.15(2) 0.057(8) -0.10(1) -0.02(1) 0.03(1)
C(1) 0.043(4) 0.055(5) 0.033(3) 0.015(4) 0.021(3) 0.013(3)
C(2) 0.061(6) 0.030(4) 0.034(4) 0.011(3) 0.033(4) 0.006(3)
C(3) 0.038(4) 0.029(3) 0.021(3) 0.006(3) 0.003(3) 0.000(2)
C(4) 0.025(3) 0.045(4) 0.021(3) 0.010(3) -0.001(2) 0.003(3)
C(5) 0.053(5) 0.039(4) 0.026(3) 0.013(4) 0.016(3) 0.016(3)
C(6) 0.071(6) 0.031(4) 0.048(4) -0.001(4) 0.028(4) -0.013(3)
C(7) 0.043(5) 0.049(5) 0.053(5) 0.005(4) 0.028(4) -0.006(4)
C(8) 0.031(4) 0.028(3) 0.093(6) 0.011(3) 0.020(4) 0.009(4)
C(9) 0.021(3) 0.039(4) 0.051(4) 0.014(3) 0.005(3) 0.010(3)
C(10) 0.027(3) 0.010(2) 0.041(3) -0.004(2) 0.006(3) 0.000(2)
C(11) 0.019(3) 0.013(2) 0.021(2) -0.002(2) 0.003(2) 0.002(2)
C(12) 0.019(3) 0.032(3) 0.016(3) 0.006(2) 0.007(2) 0.009(2)
C(13) 0.028(4) 0.053(4) 0.025(3) 0.013(3) 0.008(3) 0.012(3)
C(14) 0.022(3) 0.036(3) 0.023(3) 0.010(3) 0.006(2) 0.004(2)
C(15) 0.015(3) 0.015(2) 0.026(3) 0.003(2) 0.002(2) -0.003(2)
C(16) 0.017(3) 0.021(3) 0.015(2) 0.002(2) 0.000(2) -0.002(2)
C(17) 0.023(3) 0.035(3) 0.024(3) 0.009(3) -0.003(2) 0.003(3)
C(18) 0.056(6) 0.14(1) 0.050(5) 0.054(7) 0.040(5) 0.049(6)
C(19) 0.021(3) 0.013(2) 0.021(3) -0.001(2) 0.008(2) -0.002(2)
C(20) 0.025(3) 0.015(3) 0.024(3) 0.000(2) 0.003(2) -0.001(2)
C(21) 0.033(4) 0.022(3) 0.023(3) -0.007(2) 0.007(3) -0.001(2)
C(22) 0.030(4) 0.028(3) 0.024(3) -0.011(3) 0.006(3) 0.003(2)
C(23) 0.019(3) 0.026(3) 0.017(2) -0.003(2) -0.001(2) 0.001(2)
C(24) 0.021(3) 0.019(3) 0.018(2) -0.002(2) 0.004(2) -0.004(2)
C(25) 0.026(3) 0.033(3) 0.026(3) -0.003(3) 0.003(3) 0.006(3)
C(26) 0.056(5) 0.019(3) 0.030(3) -0.008(3) 0.000(3) -0.005(2)
C(27) 0.017(3) 0.017(2) 0.019(2) 0.002(2) 0.003(2) 0.002(2)
C(28) 0.021(3) 0.017(3) 0.028(3) 0.000(2) 0.008(2) 0.002(2)
C(29) 0.021(3) 0.027(3) 0.027(3) -0.007(2) 0.009(2) 0.003(2)
C(30) 0.021(3) 0.041(4) 0.021(3) -0.004(3) 0.008(2) 0.002(3)
C(31) 0.021(3) 0.031(3) 0.018(3) 0.002(2) 0.005(2) -0.005(2)
C(32) 0.016(3) 0.026(3) 0.019(2) 0.004(2) 0.004(2) -0.002(2)
C(33) 0.026(3) 0.045(4) 0.032(3) 0.003(3) 0.013(3) -0.011(3)
C(34) 0.055(5) 0.038(4) 0.040(4) -0.008(4) 0.030(4) 0.005(3)
C(35) 0.014(3) 0.017(2) 0.023(3) 0.002(2) 0.007(2) 0.000(2)
C(36) 0.016(3) 0.018(2) 0.017(2) 0.005(2) 0.004(2) -0.001(2)
C(37) 0.014(3) 0.018(2) 0.016(2) 0.003(2) 0.002(2) 0.001(2)
C(38) 0.022(3) 0.016(2) 0.023(3) 0.000(2) 0.006(2) -0.002(2)
C(39) 0.017(3) 0.015(2) 0.016(2) 0.003(2) 0.004(2) 0.001(2)
C(40) 0.020(3) 0.016(2) 0.018(2) 0.004(2) 0.005(2) -0.002(2)
C(41) 0.020(3) 0.014(2) 0.020(2) 0.002(2) 0.007(2) -0.001(2)
C(42) 0.021(3) 0.025(3) 0.019(3) -0.004(2) 0.002(2) -0.002(2)
B(1) 0.014(3) 0.015(3) 0.020(3) 0.002(2) 0.001(2) 0.002(2)
#------------------------------------------------------------------------------
_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_computing_structure_refinement  SHELXL97
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) Pt(2) 2.7930(4) . . yes
Pt(1) Pt(2) 2.7930(4) . 2_555 yes
Pt(1) C(2) 2.158(10) . . yes
Pt(1) C(2) 2.158(10) . 2_555 yes
Pt(1) C(3) 2.277(6) . . yes
Pt(1) C(3) 2.277(6) . 2_555 yes
Pt(1) C(10) 2.231(5) . . yes
Pt(1) C(10) 2.231(5) . 2_555 yes
Pt(2) Pt(2) 2.8065(4) . 2_555 yes
Pt(2) C(4) 2.170(6) . . yes
Pt(2) C(5) 2.165(8) . . yes
Pt(2) C(6) 2.342(8) . . yes
Pt(2) C(7) 2.15(1) . . yes
Pt(2) C(8) 2.229(8) . . yes
Pt(2) C(9) 2.255(7) . . yes
F(1) C(17) 1.342(8) . . yes
F(2) C(17) 1.335(9) . . yes
F(3) C(17) 1.310(8) . . yes
F(4) C(18) 1.31(2) . . yes
F(5) C(18) 1.23(1) . . yes
F(6) C(18) 1.38(1) . . yes
F(7) C(42) 1.337(8) . . yes
F(8) C(42) 1.350(8) . . yes
F(9) C(42) 1.340(7) . . yes
F(10) C(25) 1.339(8) . . yes
F(11) C(25) 1.354(8) . . yes
F(12) C(25) 1.323(9) . . yes
F(13) F(26) 1.61(2) . 8_454 yes
F(13) F(27) 1.01(3) . 8_454 yes
F(13) C(33) 1.40(1) . . yes
F(14) F(25) 1.72(3) . 8_454 yes
F(14) F(26) 0.58(3) . 8_454 yes
F(14) C(33) 1.31(2) . . yes
F(15) F(25) 0.96(2) . 8_454 yes
F(15) F(27) 1.33(3) . 8_454 yes
F(15) C(33) 1.29(2) . . yes
F(16) C(34) 1.335(9) . . yes
F(17) C(34) 1.36(1) . . yes
F(18) C(34) 1.32(1) . . yes
F(19) C(41) 1.342(6) . . yes
F(20) C(41) 1.333(6) . . yes
F(21) C(41) 1.344(7) . . yes
F(22) C(26) 1.320(9) . . yes
F(23) C(26) 1.322(8) . . yes
F(24) C(26) 1.36(1) . . yes
F(25) C(33) 1.39(2) . 8_555 yes
F(26) C(33) 1.22(2) . 8_555 yes
F(27) C(33) 1.26(2) . 8_555 yes
C(1) C(2) 1.42(1) . . yes
C(1) C(7) 1.40(1) . 2_555 yes
C(2) C(3) 1.42(1) . . yes
C(3) C(4) 1.432(10) . . yes
C(4) C(5) 1.42(1) . . yes
C(5) C(6) 1.40(1) . 2_555 yes
C(6) C(7) 1.44(1) . . yes
C(8) C(9) 1.40(1) . . yes
C(10) C(10) 1.36(1) . 2_555 yes
C(11) C(12) 1.393(9) . . yes
C(11) C(16) 1.413(7) . . yes
C(11) B(1) 1.630(9) . . yes
C(12) C(13) 1.384(10) . . yes
C(13) C(14) 1.359(8) . . yes
C(13) C(18) 1.53(1) . . yes
C(14) C(15) 1.370(9) . . yes
C(15) C(16) 1.399(8) . . yes
C(15) C(17) 1.510(8) . . yes
C(19) C(20) 1.409(8) . . yes
C(19) C(24) 1.409(8) . . yes
C(19) B(1) 1.638(7) . . yes
C(20) C(21) 1.375(8) . . yes
C(21) C(22) 1.396(9) . . yes
C(21) C(26) 1.507(9) . . yes
C(22) C(23) 1.392(9) . . yes
C(23) C(24) 1.388(8) . . yes
C(23) C(25) 1.498(9) . . yes
C(27) C(28) 1.414(8) . . yes
C(27) C(32) 1.401(8) . . yes
C(27) B(1) 1.635(9) . . yes
C(28) C(29) 1.384(10) . . yes
C(29) C(30) 1.389(10) . . yes
C(29) C(34) 1.495(10) . . yes
C(30) C(31) 1.394(9) . . yes
C(31) C(32) 1.384(9) . . yes
C(31) C(33) 1.51(1) . . yes
C(35) C(36) 1.400(7) . . yes
C(35) C(40) 1.392(8) . . yes
C(35) B(1) 1.651(8) . . yes
C(36) C(37) 1.399(8) . . yes
C(37) C(38) 1.387(8) . . yes
C(37) C(42) 1.506(7) . . yes
C(38) C(39) 1.382(7) . . yes
C(39) C(40) 1.395(8) . . yes
C(39) C(41) 1.509(8) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt(2) Pt(1) Pt(2) 60.32(1) . . 2_555 yes
Pt(2) Pt(1) C(2) 95.7(2) . . . yes
Pt(2) Pt(1) C(2) 83.4(2) . . 2_555 yes
Pt(2) Pt(1) C(3) 70.3(2) . . . yes
Pt(2) Pt(1) C(3) 94.0(2) . . 2_555 yes
Pt(2) Pt(1) C(10) 132.2(2) . . . yes
Pt(2) Pt(1) C(10) 167.1(2) . . 2_555 yes
Pt(2) Pt(1) C(2) 83.4(2) 2_555 . . yes
Pt(2) Pt(1) C(2) 95.7(2) 2_555 . 2_555 yes
Pt(2) Pt(1) C(3) 94.0(2) 2_555 . . yes
Pt(2) Pt(1) C(3) 70.3(2) 2_555 . 2_555 yes
Pt(2) Pt(1) C(10) 167.1(2) 2_555 . . yes
Pt(2) Pt(1) C(10) 132.2(2) 2_555 . 2_555 yes
C(2) Pt(1) C(2) 179.0(4) . . 2_555 yes
C(2) Pt(1) C(3) 37.3(3) . . . yes
C(2) Pt(1) C(3) 142.5(3) . . 2_555 yes
C(2) Pt(1) C(10) 91.3(3) . . . yes
C(2) Pt(1) C(10) 89.6(3) . . 2_555 yes
C(2) Pt(1) C(3) 142.5(3) 2_555 . . yes
C(2) Pt(1) C(3) 37.3(3) 2_555 . 2_555 yes
C(2) Pt(1) C(10) 89.6(3) 2_555 . . yes
C(2) Pt(1) C(10) 91.3(3) 2_555 . 2_555 yes
C(3) Pt(1) C(3) 162.2(3) . . 2_555 yes
C(3) Pt(1) C(10) 88.9(2) . . . yes
C(3) Pt(1) C(10) 108.3(2) . . 2_555 yes
C(3) Pt(1) C(10) 108.3(2) 2_555 . . yes
C(3) Pt(1) C(10) 88.9(2) 2_555 . 2_555 yes
C(10) Pt(1) C(10) 35.5(3) . . 2_555 yes
Pt(1) Pt(2) Pt(2) 59.841(5) . . 2_555 yes
Pt(1) Pt(2) C(4) 73.9(2) . . . yes
Pt(1) Pt(2) C(5) 94.4(2) . . . yes
Pt(1) Pt(2) C(6) 96.1(2) . . . yes
Pt(1) Pt(2) C(7) 89.8(2) . . . yes
Pt(1) Pt(2) C(8) 164.2(2) . . . yes
Pt(1) Pt(2) C(9) 127.9(2) . . . yes
Pt(2) Pt(2) C(4) 92.7(2) 2_555 . . yes
Pt(2) Pt(2) C(5) 75.4(2) 2_555 . . yes
Pt(2) Pt(2) C(6) 67.7(3) 2_555 . . yes
Pt(2) Pt(2) C(7) 95.3(2) 2_555 . . yes
Pt(2) Pt(2) C(8) 136.0(2) 2_555 . . yes
Pt(2) Pt(2) C(9) 172.1(2) 2_555 . . yes
C(4) Pt(2) C(5) 38.3(3) . . . yes
C(4) Pt(2) C(6) 160.3(3) . . . yes
C(4) Pt(2) C(7) 155.0(3) . . . yes
C(4) Pt(2) C(8) 101.3(3) . . . yes
C(4) Pt(2) C(9) 88.4(3) . . . yes
C(5) Pt(2) C(6) 129.0(3) . . . yes
C(5) Pt(2) C(7) 165.9(3) . . . yes
C(5) Pt(2) C(8) 90.2(3) . . . yes
C(5) Pt(2) C(9) 100.9(3) . . . yes
C(6) Pt(2) C(7) 37.0(3) . . . yes
C(6) Pt(2) C(8) 92.6(3) . . . yes
C(6) Pt(2) C(9) 110.8(3) . . . yes
C(7) Pt(2) C(8) 89.3(4) . . . yes
C(7) Pt(2) C(9) 86.9(3) . . . yes
C(8) Pt(2) C(9) 36.3(3) . . . yes
F(26) F(13) F(27) 103(1) 8_454 . 8_454 yes
F(26) F(13) C(33) 47.0(8) 8_454 . . yes
F(27) F(13) C(33) 60(1) 8_454 . . yes
F(25) F(14) F(26) 117(2) 8_454 . 8_454 yes
F(25) F(14) C(33) 52(1) 8_454 . . yes
F(26) F(14) C(33) 68(2) 8_454 . . yes
F(25) F(15) F(27) 131(2) 8_454 . 8_454 yes
F(25) F(15) C(33) 74(1) 8_454 . . yes
F(27) F(15) C(33) 57(1) 8_454 . . yes
F(14) F(25) F(15) 101(1) 8_555 . 8_555 yes
F(14) F(25) C(33) 48.2(9) 8_555 . 8_555 yes
F(15) F(25) C(33) 63(1) 8_555 . 8_555 yes
F(13) F(26) F(14) 135(3) 8_555 . 8_555 yes
F(13) F(26) C(33) 57.4(10) 8_555 . 8_555 yes
F(14) F(26) C(33) 85(2) 8_555 . 8_555 yes
F(13) F(27) F(15) 124(1) 8_555 . 8_555 yes
F(13) F(27) C(33) 75(1) 8_555 . 8_555 yes
F(15) F(27) C(33) 59(1) 8_555 . 8_555 yes
C(2) C(1) C(7) 128.3(8) . . 2_555 yes
Pt(1) C(2) C(1) 99.0(5) . . . yes
Pt(1) C(2) C(3) 76.0(5) . . . yes
C(1) C(2) C(3) 128.7(7) . . . yes
Pt(1) C(3) C(2) 66.8(4) . . . yes
Pt(1) C(3) C(4) 107.1(4) . . . yes
C(2) C(3) C(4) 127.6(6) . . . yes
Pt(2) C(4) C(3) 108.2(4) . . . yes
Pt(2) C(4) C(5) 70.7(4) . . . yes
C(3) C(4) C(5) 128.9(7) . . . yes
Pt(2) C(5) C(4) 71.1(4) . . . yes
Pt(2) C(5) C(6) 106.4(5) . . 2_555 yes
C(4) C(5) C(6) 129.2(7) . . 2_555 yes
Pt(2) C(6) C(5) 108.1(6) . . 2_555 yes
Pt(2) C(6) C(7) 64.3(5) . . . yes
C(5) C(6) C(7) 127.2(7) 2_555 . . yes
Pt(2) C(7) C(1) 90.9(6) . . 2_555 yes
Pt(2) C(7) C(6) 78.7(6) . . . yes
C(1) C(7) C(6) 129.3(9) 2_555 . . yes
Pt(2) C(8) C(9) 72.9(4) . . . yes
Pt(2) C(9) C(8) 70.8(4) . . . yes
Pt(1) C(10) C(10) 72.2(2) . . 2_555 yes
C(12) C(11) C(16) 114.4(5) . . . yes
C(12) C(11) B(1) 122.3(5) . . . yes
C(16) C(11) B(1) 123.0(5) . . . yes
C(11) C(12) C(13) 123.1(5) . . . yes
C(12) C(13) C(14) 120.9(7) . . . yes
C(12) C(13) C(18) 120.6(6) . . . yes
C(14) C(13) C(18) 118.4(7) . . . yes
C(13) C(14) C(15) 118.9(6) . . . yes
C(14) C(15) C(16) 120.5(5) . . . yes
C(14) C(15) C(17) 120.1(5) . . . yes
C(16) C(15) C(17) 119.4(6) . . . yes
C(11) C(16) C(15) 122.1(6) . . . yes
F(1) C(17) F(2) 105.0(5) . . . yes
F(1) C(17) F(3) 105.3(6) . . . yes
F(1) C(17) C(15) 112.4(5) . . . yes
F(2) C(17) F(3) 108.9(6) . . . yes
F(2) C(17) C(15) 112.2(6) . . . yes
F(3) C(17) C(15) 112.5(5) . . . yes
F(4) C(18) F(5) 107(1) . . . yes
F(4) C(18) F(6) 101.9(9) . . . yes
F(4) C(18) C(13) 113.3(9) . . . yes
F(5) C(18) F(6) 111(1) . . . yes
F(5) C(18) C(13) 113(1) . . . yes
F(6) C(18) C(13) 107.7(8) . . . yes
C(20) C(19) C(24) 116.0(5) . . . yes
C(20) C(19) B(1) 122.5(5) . . . yes
C(24) C(19) B(1) 120.0(5) . . . yes
C(19) C(20) C(21) 122.0(5) . . . yes
C(20) C(21) C(22) 121.3(6) . . . yes
C(20) C(21) C(26) 120.3(6) . . . yes
C(22) C(21) C(26) 118.1(6) . . . yes
C(21) C(22) C(23) 117.7(6) . . . yes
C(22) C(23) C(24) 121.0(6) . . . yes
C(22) C(23) C(25) 117.7(5) . . . yes
C(24) C(23) C(25) 121.2(5) . . . yes
C(19) C(24) C(23) 121.9(5) . . . yes
F(10) C(25) F(11) 106.5(6) . . . yes
F(10) C(25) F(12) 106.0(5) . . . yes
F(10) C(25) C(23) 112.4(6) . . . yes
F(11) C(25) F(12) 105.5(6) . . . yes
F(11) C(25) C(23) 112.8(5) . . . yes
F(12) C(25) C(23) 113.0(6) . . . yes
F(22) C(26) F(23) 110.1(6) . . . yes
F(22) C(26) F(24) 103.7(6) . . . yes
F(22) C(26) C(21) 113.4(6) . . . yes
F(23) C(26) F(24) 104.9(6) . . . yes
F(23) C(26) C(21) 113.2(5) . . . yes
F(24) C(26) C(21) 110.9(6) . . . yes
C(28) C(27) C(32) 115.9(6) . . . yes
C(28) C(27) B(1) 117.6(5) . . . yes
C(32) C(27) B(1) 125.8(5) . . . yes
C(27) C(28) C(29) 121.8(6) . . . yes
C(28) C(29) C(30) 121.6(6) . . . yes
C(28) C(29) C(34) 117.6(6) . . . yes
C(30) C(29) C(34) 120.4(7) . . . yes
C(29) C(30) C(31) 116.9(6) . . . yes
C(30) C(31) C(32) 121.9(6) . . . yes
C(30) C(31) C(33) 118.6(6) . . . yes
C(32) C(31) C(33) 119.5(6) . . . yes
C(27) C(32) C(31) 121.8(5) . . . yes
F(13) C(33) F(14) 99(1) . . . yes
F(13) C(33) F(15) 100(1) . . . yes
F(13) C(33) F(25) 134(1) . . 8_454 yes
F(13) C(33) F(26) 75(1) . . 8_454 yes
F(13) C(33) F(27) 44(1) . . 8_454 yes
F(13) C(33) C(31) 114.4(8) . . . yes
F(14) C(33) F(15) 110(1) . . . yes
F(14) C(33) F(25) 79(1) . . 8_454 yes
F(14) C(33) F(26) 26(1) . . 8_454 yes
F(14) C(33) F(27) 132(1) . . 8_454 yes
F(14) C(33) C(31) 113(1) . . . yes
F(15) C(33) F(25) 41(1) . . 8_454 yes
F(15) C(33) F(26) 125(1) . . 8_454 yes
F(15) C(33) F(27) 62(1) . . 8_454 yes
F(15) C(33) C(31) 117.0(8) . . . yes
F(25) C(33) F(26) 103(1) 8_454 . 8_454 yes
F(25) C(33) F(27) 104(1) 8_454 . 8_454 yes
F(25) C(33) C(31) 107.6(8) 8_454 . . yes
F(26) C(33) F(27) 115(1) 8_454 . 8_454 yes
F(26) C(33) C(31) 113(1) 8_454 . . yes
F(27) C(33) C(31) 110(1) 8_454 . . yes
F(16) C(34) F(17) 105.3(7) . . . yes
F(16) C(34) F(18) 104.9(6) . . . yes
F(16) C(34) C(29) 113.4(6) . . . yes
F(17) C(34) F(18) 105.9(6) . . . yes
F(17) C(34) C(29) 112.5(6) . . . yes
F(18) C(34) C(29) 114.2(7) . . . yes
C(36) C(35) C(40) 116.6(5) . . . yes
C(36) C(35) B(1) 119.5(5) . . . yes
C(40) C(35) B(1) 123.5(4) . . . yes
C(35) C(36) C(37) 121.5(5) . . . yes
C(36) C(37) C(38) 121.1(4) . . . yes
C(36) C(37) C(42) 121.3(5) . . . yes
C(38) C(37) C(42) 117.6(5) . . . yes
C(37) C(38) C(39) 117.8(5) . . . yes
C(38) C(39) C(40) 121.3(5) . . . yes
C(38) C(39) C(41) 118.4(5) . . . yes
C(40) C(39) C(41) 120.1(4) . . . yes
C(35) C(40) C(39) 121.8(4) . . . yes
F(19) C(41) F(20) 107.3(4) . . . yes
F(19) C(41) F(21) 105.2(4) . . . yes
F(19) C(41) C(39) 112.4(5) . . . yes
F(20) C(41) F(21) 106.2(5) . . . yes
F(20) C(41) C(39) 112.7(4) . . . yes
F(21) C(41) C(39) 112.5(4) . . . yes
F(7) C(42) F(8) 104.5(5) . . . yes
F(7) C(42) F(9) 107.0(4) . . . yes
F(7) C(42) C(37) 112.5(5) . . . yes
F(8) C(42) F(9) 106.5(5) . . . yes
F(8) C(42) C(37) 111.8(4) . . . yes
F(9) C(42) C(37) 114.0(5) . . . yes
C(11) B(1) C(19) 112.5(4) . . . yes
C(11) B(1) C(27) 111.1(4) . . . yes
C(11) B(1) C(35) 103.6(5) . . . yes
C(19) B(1) C(27) 101.5(5) . . . yes
C(19) B(1) C(35) 114.3(4) . . . yes
C(27) B(1) C(35) 114.2(5) . . . yes
#------------------------------------------------------------------------------
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) Pt(2) Pt(2) C(4) -69.6(2) . . 2_555 2_555 yes
Pt(1) Pt(2) Pt(2) C(5) -104.1(2) . . 2_555 2_555 yes
Pt(1) Pt(2) Pt(2) C(6) 111.8(2) . . 2_555 2_555 yes
Pt(1) Pt(2) Pt(2) C(7) 86.7(2) . . 2_555 2_555 yes
Pt(1) Pt(2) Pt(2) C(8) -178.9(4) . . 2_555 2_555 yes
Pt(1) Pt(2) Pt(2) C(9) -167(1) . . 2_555 2_555 yes
Pt(1) Pt(2) C(4) C(3) 6.1(5) . . . . yes
Pt(1) Pt(2) C(4) C(5) -119.7(4) . . . . yes
Pt(1) Pt(2) C(5) C(4) 56.8(4) . . . . yes
Pt(1) Pt(2) C(5) C(6) -69.7(5) . . . 2_555 yes
Pt(1) Pt(2) C(6) C(5) 41.7(6) . . . 2_555 yes
Pt(1) Pt(2) C(6) C(7) -81.5(5) . . . . yes
Pt(1) Pt(2) C(7) C(1) -29.5(5) . . . 2_555 yes
Pt(1) Pt(2) C(7) C(6) 100.4(5) . . . . yes
Pt(1) Pt(2) C(8) C(9) 0(1) . . . . yes
Pt(1) Pt(2) C(9) C(8) -179.7(5) . . . . yes
Pt(1) Pt(2) Pt(2) C(4) -69.6(2) . 2_555 . . yes
Pt(1) Pt(2) Pt(2) C(5) -104.1(2) . 2_555 . . yes
Pt(1) Pt(2) Pt(2) C(6) 111.8(2) . 2_555 . . yes
Pt(1) Pt(2) Pt(2) C(7) 86.7(2) . 2_555 . . yes
Pt(1) Pt(2) Pt(2) C(8) -178.9(4) . 2_555 . . yes
Pt(1) Pt(2) Pt(2) C(9) -167(1) . 2_555 . . yes
Pt(1) Pt(2) C(4) C(3) 6.1(5) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(4) C(5) -119.7(4) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(5) C(4) 56.8(4) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(5) C(6) -69.7(5) . 2_555 2_555 . yes
Pt(1) Pt(2) C(6) C(5) 41.7(6) . 2_555 2_555 . yes
Pt(1) Pt(2) C(6) C(7) -81.5(5) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(7) C(1) -29.5(5) . 2_555 2_555 . yes
Pt(1) Pt(2) C(7) C(6) 100.4(5) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(8) C(9) 0(1) . 2_555 2_555 2_555 yes
Pt(1) Pt(2) C(9) C(8) -179.7(5) . 2_555 2_555 2_555 yes
Pt(1) C(2) C(1) C(7) -86.7(9) . . . 2_555 yes
Pt(1) C(2) C(3) C(4) 94.2(7) . . . . yes
Pt(1) C(2) C(1) C(7) -86.7(9) . 2_555 2_555 . yes
Pt(1) C(2) C(3) C(4) 94.2(7) . 2_555 2_555 2_555 yes
Pt(1) C(3) C(2) C(1) -90.3(9) . . . . yes
Pt(1) C(3) C(4) Pt(2) -7.5(6) . . . . yes
Pt(1) C(3) C(4) C(5) 72.0(8) . . . . yes
Pt(1) C(3) C(2) C(1) -90.3(9) . 2_555 2_555 2_555 yes
Pt(1) C(3) C(4) Pt(2) -7.5(6) . 2_555 2_555 2_555 yes
Pt(1) C(3) C(4) C(5) 72.0(8) . 2_555 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(4) 102.9(2) . . 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(5) 70.3(2) . . 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(6) -59.8(3) . . 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(7) -96.3(2) . . 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(8) 177.1(10) . . 2_555 2_555 yes
Pt(2) Pt(1) Pt(2) C(9) 177.8(3) . . 2_555 2_555 yes
Pt(2) Pt(1) C(2) C(1) 81.5(5) . . . . yes
Pt(2) Pt(1) C(2) C(3) -46.3(4) . . . . yes
Pt(2) Pt(1) C(2) C(1) 22.3(5) . . 2_555 2_555 yes
Pt(2) Pt(1) C(2) C(3) -105.5(4) . . 2_555 2_555 yes
Pt(2) Pt(1) C(3) C(2) 130.2(4) . . . . yes
Pt(2) Pt(1) C(3) C(4) 5.9(5) . . . . yes
Pt(2) Pt(1) C(3) C(2) 73.7(4) . . 2_555 2_555 yes
Pt(2) Pt(1) C(3) C(4) -50.6(5) . . 2_555 2_555 yes
Pt(2) Pt(1) C(10) C(10) -173.6(4) . . . 2_555 yes
Pt(2) Pt(1) C(10) C(10) 21(1) . . 2_555 . yes
Pt(2) Pt(2) Pt(1) C(2) 100.4(2) . 2_555 . . yes
Pt(2) Pt(2) Pt(1) C(2) -79.1(2) . 2_555 . 2_555 yes
Pt(2) Pt(2) Pt(1) C(3) 64.6(2) . 2_555 . . yes
Pt(2) Pt(2) Pt(1) C(3) -106.8(2) . 2_555 . 2_555 yes
Pt(2) Pt(2) Pt(1) C(10) 167.0(8) . 2_555 . . yes
Pt(2) Pt(2) Pt(1) C(10) -176.1(2) . 2_555 . 2_555 yes
Pt(2) Pt(2) C(4) C(3) 63.6(5) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(4) C(5) -62.2(4) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(5) C(4) 114.1(4) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(5) C(6) -12.4(5) . 2_555 2_555 . yes
Pt(2) Pt(2) C(6) C(5) -12.1(5) . 2_555 2_555 . yes
Pt(2) Pt(2) C(6) C(7) -135.4(5) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(7) C(1) -89.2(5) . 2_555 2_555 . yes
Pt(2) Pt(2) C(7) C(6) 40.8(5) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(8) C(9) 177.3(4) . 2_555 2_555 2_555 yes
Pt(2) Pt(2) C(9) C(8) -13(1) . 2_555 2_555 2_555 yes
Pt(2) C(4) C(3) C(2) -81.0(8) . . . . yes
Pt(2) C(4) C(5) C(6) 96.1(8) . . . 2_555 yes
Pt(2) C(5) C(4) C(3) -98.1(7) . . . . yes
Pt(2) C(5) C(6) C(7) 86.3(10) . . 2_555 2_555 yes
Pt(2) C(6) C(5) C(4) -63.4(9) . . 2_555 2_555 yes
Pt(2) C(6) C(7) C(1) 81.7(10) . . . 2_555 yes
Pt(2) C(7) C(1) C(2) 87.9(9) . . 2_555 2_555 yes
Pt(2) C(7) C(6) C(5) -93.9(9) . . . 2_555 yes
F(1) C(17) C(15) C(14) -145.7(6) . . . . yes
F(1) C(17) C(15) C(16) 35.7(8) . . . . yes
F(2) C(17) C(15) C(14) -27.5(8) . . . . yes
F(2) C(17) C(15) C(16) 153.8(6) . . . . yes
F(3) C(17) C(15) C(14) 95.7(7) . . . . yes
F(3) C(17) C(15) C(16) -83.0(7) . . . . yes
F(4) C(18) C(13) C(12) 130.2(8) . . . . yes
F(4) C(18) C(13) C(14) -47(1) . . . . yes
F(5) C(18) C(13) C(12) 6(1) . . . . yes
F(5) C(18) C(13) C(14) -171(1) . . . . yes
F(6) C(18) C(13) C(12) -117.9(8) . . . . yes
F(6) C(18) C(13) C(14) 64(1) . . . . yes
F(7) C(42) C(37) C(36) -130.4(6) . . . . yes
F(7) C(42) C(37) C(38) 49.8(7) . . . . yes
F(8) C(42) C(37) C(36) 112.4(6) . . . . yes
F(8) C(42) C(37) C(38) -67.4(7) . . . . yes
F(9) C(42) C(37) C(36) -8.4(8) . . . . yes
F(9) C(42) C(37) C(38) 171.8(5) . . . . yes
F(10) C(25) C(23) C(22) 71.8(8) . . . . yes
F(10) C(25) C(23) C(24) -108.8(7) . . . . yes
F(11) C(25) C(23) C(22) -167.7(6) . . . . yes
F(11) C(25) C(23) C(24) 11.7(9) . . . . yes
F(12) C(25) C(23) C(22) -48.1(8) . . . . yes
F(12) C(25) C(23) C(24) 131.3(6) . . . . yes
F(13) F(26) F(14) F(25) -14(5) . 8_454 . 8_454 yes
F(13) F(26) F(14) C(33) -32(3) . 8_454 . . yes
F(13) F(26) C(33) F(14) 153(3) . 8_454 . . yes
F(13) F(26) C(33) F(15) 92(1) . 8_454 . . yes
F(13) F(26) C(33) F(25) 132(1) . 8_454 . 8_454 yes
F(13) F(26) C(33) F(27) 18(1) . 8_454 . 8_454 yes
F(13) F(26) C(33) C(31) -110(1) . 8_454 . . yes
F(13) F(27) F(15) F(25) 33(4) . 8_454 . 8_454 yes
F(13) F(27) F(15) C(33) 42(2) . 8_454 . . yes
F(13) F(27) C(33) F(14) -51(2) . 8_454 . . yes
F(13) F(27) C(33) F(15) -145(1) . 8_454 . . yes
F(13) F(27) C(33) F(25) -140(1) . 8_454 . 8_454 yes
F(13) F(27) C(33) F(26) -26(2) . 8_454 . 8_454 yes
F(13) F(27) C(33) C(31) 104(1) . 8_454 . . yes
F(13) C(33) F(14) F(25) -133(1) . . . 8_454 yes
F(13) C(33) F(14) F(26) 26(2) . . . 8_454 yes
F(13) C(33) F(15) F(25) 149(1) . . . 8_454 yes
F(13) C(33) F(15) F(27) -23(1) . . . 8_454 yes
F(13) C(33) F(25) F(14) 92(1) . . 8_454 . yes
F(13) C(33) F(25) F(15) -44(1) . . 8_454 . yes
F(13) C(33) F(26) F(14) -153(3) . . 8_454 . yes
F(13) C(33) F(27) F(15) 145(1) . . 8_454 . yes
F(13) C(33) C(31) C(30) 155.3(8) . . . . yes
F(13) C(33) C(31) C(32) -22.9(10) . . . . yes
F(14) F(25) F(15) F(27) -23(2) . 8_454 . 8_454 yes
F(14) F(25) F(15) C(33) -30(1) . 8_454 . . yes
F(14) F(25) C(33) F(15) 137(1) . 8_454 . . yes
F(14) F(25) C(33) F(26) 9(1) . 8_454 . 8_454 yes
F(14) F(25) C(33) F(27) 130(1) . 8_454 . 8_454 yes
F(14) F(25) C(33) C(31) -111(1) . 8_454 . . yes
F(14) F(26) F(13) F(27) 17(5) . 8_454 . 8_454 yes
F(14) F(26) F(13) C(33) 39(4) . 8_454 . . yes
F(14) F(26) C(33) F(15) -60(3) . 8_454 . . yes
F(14) F(26) C(33) F(25) -20(3) . 8_454 . 8_454 yes
F(14) F(26) C(33) F(27) -134(2) . 8_454 . 8_454 yes
F(14) F(26) C(33) C(31) 95(2) . 8_454 . . yes
F(14) C(33) F(13) F(26) -11(1) . . . 8_454 yes
F(14) C(33) F(13) F(27) 143(1) . . . 8_454 yes
F(14) C(33) F(15) F(25) 45(1) . . . 8_454 yes
F(14) C(33) F(15) F(27) -127(1) . . . 8_454 yes
F(14) C(33) F(25) F(15) -137(1) . . 8_454 . yes
F(14) C(33) F(27) F(15) 93(1) . . 8_454 . yes
F(14) C(33) C(31) C(30) -91(1) . . . . yes
F(14) C(33) C(31) C(32) 89(1) . . . . yes
F(15) F(25) F(14) F(26) 16(4) . 8_454 . 8_454 yes
F(15) F(25) F(14) C(33) 38(1) . 8_454 . . yes
F(15) F(25) C(33) F(26) -128(1) . 8_454 . 8_454 yes
F(15) F(25) C(33) F(27) -6(1) . 8_454 . 8_454 yes
F(15) F(25) C(33) C(31) 111(1) . 8_454 . . yes
F(15) F(27) F(13) F(26) -18(3) . 8_454 . 8_454 yes
F(15) F(27) F(13) C(33) -36(1) . 8_454 . . yes
F(15) F(27) C(33) F(25) 4(1) . 8_454 . 8_454 yes
F(15) F(27) C(33) F(26) 118(1) . 8_454 . 8_454 yes
F(15) F(27) C(33) C(31) -110(1) . 8_454 . . yes
F(15) C(33) F(13) F(26) -124(1) . . . 8_454 yes
F(15) C(33) F(13) F(27) 31(1) . . . 8_454 yes
F(15) C(33) F(14) F(25) -28(1) . . . 8_454 yes
F(15) C(33) F(14) F(26) 130(2) . . . 8_454 yes
F(15) C(33) C(31) C(30) 38(1) . . . . yes
F(15) C(33) C(31) C(32) -140.0(10) . . . . yes
F(16) C(34) C(29) C(28) 76.0(9) . . . . yes
F(16) C(34) C(29) C(30) -97.0(8) . . . . yes
F(17) C(34) C(29) C(28) -164.7(6) . . . . yes
F(17) C(34) C(29) C(30) 22.3(9) . . . . yes
F(18) C(34) C(29) C(28) -44.0(8) . . . . yes
F(18) C(34) C(29) C(30) 142.9(6) . . . . yes
F(19) C(41) C(39) C(38) 144.2(5) . . . . yes
F(19) C(41) C(39) C(40) -41.0(7) . . . . yes
F(20) C(41) C(39) C(38) 22.8(8) . . . . yes
F(20) C(41) C(39) C(40) -162.4(5) . . . . yes
F(21) C(41) C(39) C(38) -97.2(6) . . . . yes
F(21) C(41) C(39) C(40) 77.6(7) . . . . yes
F(22) C(26) C(21) C(20) -77.1(9) . . . . yes
F(22) C(26) C(21) C(22) 97.3(8) . . . . yes
F(23) C(26) C(21) C(20) 156.6(7) . . . . yes
F(23) C(26) C(21) C(22) -29(1) . . . . yes
F(24) C(26) C(21) C(20) 39.1(9) . . . . yes
F(24) C(26) C(21) C(22) -146.6(6) . . . . yes
F(25) F(14) F(26) C(33) -18(2) . 8_555 . 8_555 yes
F(25) F(15) F(27) C(33) 9(2) . 8_555 . 8_555 yes
F(26) F(13) F(27) C(33) -18(1) . 8_555 . 8_555 yes
F(26) F(14) F(25) C(33) 21(3) . 8_555 . 8_555 yes
F(27) F(13) F(26) C(33) 21(1) . 8_555 . 8_555 yes
F(27) F(15) F(25) C(33) -7(2) . 8_555 . 8_555 yes
C(1) C(2) Pt(1) C(2) 51.9(5) . . . 2_555 yes
C(1) C(2) Pt(1) C(3) 127.8(7) . . . . yes
C(1) C(2) Pt(1) C(3) -22.7(7) . . . 2_555 yes
C(1) C(2) Pt(1) C(10) -145.8(5) . . . . yes
C(1) C(2) Pt(1) C(10) -110.3(5) . . . 2_555 yes
C(1) C(2) C(3) C(4) 3(1) . . . . yes
C(1) C(7) Pt(2) C(4) 18(1) . 2_555 2_555 2_555 yes
C(1) C(7) Pt(2) C(5) -137(1) . 2_555 2_555 2_555 yes
C(1) C(7) Pt(2) C(6) -130.0(8) . 2_555 2_555 2_555 yes
C(1) C(7) Pt(2) C(8) 134.7(5) . 2_555 2_555 2_555 yes
C(1) C(7) Pt(2) C(9) 98.4(5) . 2_555 2_555 2_555 yes
C(1) C(7) C(6) C(5) -12(1) . 2_555 2_555 . yes
C(2) Pt(1) Pt(2) C(4) 23.8(3) . . . . yes
C(2) Pt(1) Pt(2) C(5) -8.8(3) . . . . yes
C(2) Pt(1) Pt(2) C(6) -138.8(4) . . . . yes
C(2) Pt(1) Pt(2) C(7) -175.4(3) . . . . yes
C(2) Pt(1) Pt(2) C(8) 98(1) . . . . yes
C(2) Pt(1) Pt(2) C(9) 98.7(4) . . . . yes
C(2) Pt(1) Pt(2) C(4) -156.7(3) . . 2_555 2_555 yes
C(2) Pt(1) Pt(2) C(5) 170.7(3) . . 2_555 2_555 yes
C(2) Pt(1) Pt(2) C(6) 40.6(4) . . 2_555 2_555 yes
C(2) Pt(1) Pt(2) C(7) 4.1(3) . . 2_555 2_555 yes
C(2) Pt(1) Pt(2) C(8) -82(1) . . 2_555 2_555 yes
C(2) Pt(1) Pt(2) C(9) -81.8(4) . . 2_555 2_555 yes
C(2) Pt(1) C(2) C(3) -75.9(4) . . 2_555 2_555 yes
C(2) Pt(1) C(3) C(4) -124.3(7) . . . . yes
C(2) Pt(1) C(3) C(4) 54.1(7) . . 2_555 2_555 yes
C(2) Pt(1) C(10) C(10) 87.5(6) . . . 2_555 yes
C(2) Pt(1) C(10) C(10) -92.8(6) . . 2_555 . yes
C(2) C(1) C(7) C(6) 11(1) . . 2_555 2_555 yes
C(2) C(3) Pt(1) C(3) 101.0(4) . . . 2_555 yes
C(2) C(3) Pt(1) C(10) -93.7(4) . . . . yes
C(2) C(3) Pt(1) C(10) -63.5(4) . . . 2_555 yes
C(2) C(3) C(4) C(5) -1(1) . . . . yes
C(3) Pt(1) Pt(2) C(4) -3.9(3) . . . . yes
C(3) Pt(1) Pt(2) C(5) -36.5(3) . . . . yes
C(3) Pt(1) Pt(2) C(6) -166.6(3) . . . . yes
C(3) Pt(1) Pt(2) C(7) 156.9(3) . . . . yes
C(3) Pt(1) Pt(2) C(8) 70.3(10) . . . . yes
C(3) Pt(1) Pt(2) C(9) 71.0(4) . . . . yes
C(3) Pt(1) Pt(2) C(4) 167.5(3) . . 2_555 2_555 yes
C(3) Pt(1) Pt(2) C(5) 134.9(3) . . 2_555 2_555 yes
C(3) Pt(1) Pt(2) C(6) 4.9(3) . . 2_555 2_555 yes
C(3) Pt(1) Pt(2) C(7) -31.6(3) . . 2_555 2_555 yes
C(3) Pt(1) Pt(2) C(8) -118.3(10) . . 2_555 2_555 yes
C(3) Pt(1) Pt(2) C(9) -117.6(3) . . 2_555 2_555 yes
C(3) Pt(1) C(3) C(4) -23.2(5) . . 2_555 2_555 yes
C(3) Pt(1) C(10) C(10) 124.7(6) . . . 2_555 yes
C(3) Pt(1) C(10) C(10) -60.0(7) . . 2_555 . yes
C(3) C(2) Pt(1) C(10) 86.4(4) . . . . yes
C(3) C(2) Pt(1) C(10) 121.9(4) . . . 2_555 yes
C(3) C(2) C(1) C(7) -7(1) . . . 2_555 yes
C(3) C(4) Pt(2) C(5) 125.8(7) . . . . yes
C(3) C(4) Pt(2) C(6) 67(1) . . . . yes
C(3) C(4) Pt(2) C(7) -45.1(10) . . . . yes
C(3) C(4) Pt(2) C(8) -158.4(5) . . . . yes
C(3) C(4) Pt(2) C(9) -124.3(5) . . . . yes
C(3) C(4) C(5) C(6) -2(1) . . . 2_555 yes
C(4) Pt(2) Pt(1) C(10) -73.2(3) . . . . yes
C(4) Pt(2) Pt(1) C(10) -90.1(8) . . . 2_555 yes
C(4) Pt(2) Pt(2) C(4) -139.3(4) . . 2_555 2_555 yes
C(4) Pt(2) Pt(2) C(5) -173.8(3) . . 2_555 2_555 yes
C(4) Pt(2) Pt(2) C(6) 42.2(3) . . 2_555 2_555 yes
C(4) Pt(2) Pt(2) C(7) 17.0(3) . . 2_555 2_555 yes
C(4) Pt(2) Pt(2) C(8) 111.5(4) . . 2_555 2_555 yes
C(4) Pt(2) Pt(2) C(9) 123(1) . . 2_555 2_555 yes
C(4) Pt(2) C(5) C(6) -126.5(8) . . . 2_555 yes
C(4) Pt(2) C(6) C(5) -16(1) . . . 2_555 yes
C(4) Pt(2) C(6) C(7) -139.6(8) . . . . yes
C(4) Pt(2) C(7) C(6) 148.9(6) . . . . yes
C(4) Pt(2) C(8) C(9) 71.4(6) . . . . yes
C(4) Pt(2) C(9) C(8) -111.6(6) . . . . yes
C(4) C(3) Pt(1) C(10) 142.0(5) . . . . yes
C(4) C(3) Pt(1) C(10) 172.3(5) . . . 2_555 yes
C(4) C(5) Pt(2) C(6) 158.4(4) . . . . yes
C(4) C(5) Pt(2) C(7) 164(1) . . . . yes
C(4) C(5) Pt(2) C(8) -108.1(4) . . . . yes
C(4) C(5) Pt(2) C(9) -73.1(5) . . . . yes
C(4) C(5) C(6) C(7) 7(1) . . 2_555 2_555 yes
C(5) Pt(2) Pt(1) C(10) -105.8(3) . . . . yes
C(5) Pt(2) Pt(1) C(10) -122.7(8) . . . 2_555 yes
C(5) Pt(2) Pt(2) C(5) 151.8(4) . . 2_555 2_555 yes
C(5) Pt(2) Pt(2) C(6) 7.7(3) . . 2_555 2_555 yes
C(5) Pt(2) Pt(2) C(7) -17.4(3) . . 2_555 2_555 yes
C(5) Pt(2) Pt(2) C(8) 77.0(4) . . 2_555 2_555 yes
C(5) Pt(2) Pt(2) C(9) 88(1) . . 2_555 2_555 yes
C(5) Pt(2) C(6) C(7) 177.7(5) . . . . yes
C(5) Pt(2) C(7) C(6) -7(1) . . . . yes
C(5) Pt(2) C(8) C(9) 108.3(6) . . . . yes
C(5) Pt(2) C(9) C(8) -75.2(6) . . . . yes
C(5) C(4) Pt(2) C(6) -58.2(9) . . . . yes
C(5) C(4) Pt(2) C(7) -170.9(7) . . . . yes
C(5) C(4) Pt(2) C(8) 75.8(5) . . . . yes
C(5) C(4) Pt(2) C(9) 109.9(5) . . . . yes
C(5) C(6) Pt(2) C(7) 123.2(8) . 2_555 2_555 2_555 yes
C(5) C(6) Pt(2) C(8) -151.5(6) . 2_555 2_555 2_555 yes
C(5) C(6) Pt(2) C(9) 176.3(5) . 2_555 2_555 2_555 yes
C(6) Pt(2) Pt(1) C(10) 124.1(4) . . . . yes
C(6) Pt(2) Pt(1) C(10) 107.2(8) . . . 2_555 yes
C(6) Pt(2) Pt(2) C(6) -136.4(4) . . 2_555 2_555 yes
C(6) Pt(2) Pt(2) C(7) -161.5(3) . . 2_555 2_555 yes
C(6) Pt(2) Pt(2) C(8) -67.1(4) . . 2_555 2_555 yes
C(6) Pt(2) Pt(2) C(9) -55(1) . . 2_555 2_555 yes
C(6) Pt(2) C(8) C(9) -122.6(6) . . . . yes
C(6) Pt(2) C(9) C(8) 64.2(6) . . . . yes
C(6) C(5) Pt(2) C(7) 37(1) . 2_555 2_555 2_555 yes
C(6) C(5) Pt(2) C(8) 125.4(6) . 2_555 2_555 2_555 yes
C(6) C(5) Pt(2) C(9) 160.4(5) . 2_555 2_555 2_555 yes
C(6) C(7) Pt(2) C(8) -95.3(5) . . . . yes
C(6) C(7) Pt(2) C(9) -131.6(5) . . . . yes
C(7) Pt(2) Pt(1) C(10) 87.6(3) . . . . yes
C(7) Pt(2) Pt(1) C(10) 70.7(8) . . . 2_555 yes
C(7) Pt(2) Pt(2) C(7) 173.4(5) . . 2_555 2_555 yes
C(7) Pt(2) Pt(2) C(8) -92.2(4) . . 2_555 2_555 yes
C(7) Pt(2) Pt(2) C(9) -80(1) . . 2_555 2_555 yes
C(7) Pt(2) C(8) C(9) -85.8(6) . . . . yes
C(7) Pt(2) C(9) C(8) 93.0(6) . . . . yes
C(7) C(6) Pt(2) C(8) 85.3(5) . . . . yes
C(7) C(6) Pt(2) C(9) 53.0(5) . . . . yes
C(8) Pt(2) Pt(1) C(10) 1(1) . . . . yes
C(8) Pt(2) Pt(1) C(10) -15(1) . . . 2_555 yes
C(8) Pt(2) Pt(2) C(8) 2.3(8) . . 2_555 2_555 yes
C(8) Pt(2) Pt(2) C(9) 13(1) . . 2_555 2_555 yes
C(9) Pt(2) Pt(1) C(10) 1.7(4) . . . . yes
C(9) Pt(2) Pt(1) C(10) -15.2(8) . . . 2_555 yes
C(9) Pt(2) Pt(2) C(9) 25(3) . . 2_555 2_555 yes
C(11) C(12) C(13) C(14) 2(1) . . . . yes
C(11) C(12) C(13) C(18) -175.3(8) . . . . yes
C(11) C(16) C(15) C(14) -0.8(9) . . . . yes
C(11) C(16) C(15) C(17) 177.9(5) . . . . yes
C(11) B(1) C(19) C(20) -25.2(8) . . . . yes
C(11) B(1) C(19) C(24) 169.7(5) . . . . yes
C(11) B(1) C(27) C(28) 52.0(6) . . . . yes
C(11) B(1) C(27) C(32) -138.4(5) . . . . yes
C(11) B(1) C(35) C(36) 70.4(7) . . . . yes
C(11) B(1) C(35) C(40) -101.3(6) . . . . yes
C(12) C(11) C(16) C(15) 2.4(8) . . . . yes
C(12) C(11) B(1) C(19) -48.6(7) . . . . yes
C(12) C(11) B(1) C(27) -161.6(5) . . . . yes
C(12) C(11) B(1) C(35) 75.3(6) . . . . yes
C(12) C(13) C(14) C(15) 0(1) . . . . yes
C(13) C(12) C(11) C(16) -3.3(9) . . . . yes
C(13) C(12) C(11) B(1) -177.1(6) . . . . yes
C(13) C(14) C(15) C(16) -0.2(9) . . . . yes
C(13) C(14) C(15) C(17) -178.9(6) . . . . yes
C(15) C(14) C(13) C(18) 177.3(8) . . . . yes
C(15) C(16) C(11) B(1) 176.1(5) . . . . yes
C(16) C(11) B(1) C(19) 138.2(5) . . . . yes
C(16) C(11) B(1) C(27) 25.2(7) . . . . yes
C(16) C(11) B(1) C(35) -97.9(6) . . . . yes
C(19) C(20) C(21) C(22) 1(1) . . . . yes
C(19) C(20) C(21) C(26) 175.6(6) . . . . yes
C(19) C(24) C(23) C(22) 0(1) . . . . yes
C(19) C(24) C(23) C(25) 179.9(6) . . . . yes
C(19) B(1) C(27) C(28) -67.8(6) . . . . yes
C(19) B(1) C(27) C(32) 101.8(6) . . . . yes
C(19) B(1) C(35) C(36) -166.9(5) . . . . yes
C(19) B(1) C(35) C(40) 21.4(8) . . . . yes
C(20) C(19) C(24) C(23) -1.2(9) . . . . yes
C(20) C(19) B(1) C(27) 93.6(7) . . . . yes
C(20) C(19) B(1) C(35) -143.0(6) . . . . yes
C(20) C(21) C(22) C(23) -3(1) . . . . yes
C(21) C(20) C(19) C(24) 0.9(9) . . . . yes
C(21) C(20) C(19) B(1) -164.8(6) . . . . yes
C(21) C(22) C(23) C(24) 3.1(10) . . . . yes
C(21) C(22) C(23) C(25) -177.5(6) . . . . yes
C(23) C(22) C(21) C(26) -177.8(6) . . . . yes
C(23) C(24) C(19) B(1) 164.8(6) . . . . yes
C(24) C(19) B(1) C(27) -71.5(6) . . . . yes
C(24) C(19) B(1) C(35) 51.9(8) . . . . yes
C(27) C(28) C(29) C(30) -2.0(8) . . . . yes
C(27) C(28) C(29) C(34) -175.0(5) . . . . yes
C(27) C(32) C(31) C(30) -0.6(8) . . . . yes
C(27) C(32) C(31) C(33) 177.5(5) . . . . yes
C(27) B(1) C(35) C(36) -50.6(7) . . . . yes
C(27) B(1) C(35) C(40) 137.7(6) . . . . yes
C(28) C(27) C(32) C(31) 0.8(7) . . . . yes
C(28) C(27) B(1) C(35) 168.8(4) . . . . yes
C(28) C(29) C(30) C(31) 2.1(8) . . . . yes
C(29) C(28) C(27) C(32) 0.5(8) . . . . yes
C(29) C(28) C(27) B(1) 171.1(5) . . . . yes
C(29) C(30) C(31) C(32) -0.8(8) . . . . yes
C(29) C(30) C(31) C(33) -179.0(5) . . . . yes
C(31) C(30) C(29) C(34) 174.9(5) . . . . yes
C(31) C(32) C(27) B(1) -169.0(5) . . . . yes
C(32) C(27) B(1) C(35) -21.7(7) . . . . yes
C(35) C(36) C(37) C(38) 1.4(9) . . . . yes
C(35) C(36) C(37) C(42) -178.4(6) . . . . yes
C(35) C(40) C(39) C(38) -0.9(9) . . . . yes
C(35) C(40) C(39) C(41) -175.5(5) . . . . yes
C(36) C(35) C(40) C(39) 0.1(9) . . . . yes
C(36) C(37) C(38) C(39) -2.1(9) . . . . yes
C(37) C(36) C(35) C(40) -0.4(9) . . . . yes
C(37) C(36) C(35) B(1) -172.6(5) . . . . yes
C(37) C(38) C(39) C(40) 1.9(9) . . . . yes
C(37) C(38) C(39) C(41) 176.6(5) . . . . yes
C(39) C(38) C(37) C(42) 177.8(5) . . . . yes
C(39) C(40) C(35) B(1) 172.0(5) . . . . yes
C(39) C(40) C(35) B(1) 172.0(5) . . . . yes
#------------------------------------------------------------------------------
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt(1) Pt(2) 2.7930(4) . . ?
Pt(1) Pt(2) 2.7930(4) . 2_555 ?
Pt(2) Pt(2) 2.8065(4) . 2_555 ?
F(1) F(25) 3.21(2) . 7_555 ?
F(1) C(9) 3.446(9) . 7_455 ?
F(1) F(17) 3.467(8) . 2_554 ?
F(1) F(15) 3.56(1) . 2_554 ?
F(2) C(10) 3.122(8) . 7_455 ?
F(2) F(8) 3.236(6) . 6_454 ?
F(3) F(23) 2.931(6) . 3_565 ?
F(3) F(17) 2.991(10) . 2_554 ?
F(3) F(9) 3.194(6) . 6_454 ?
F(3) F(7) 3.337(6) . 6_454 ?
F(3) F(8) 3.541(6) . 6_454 ?
F(4) F(21) 2.994(6) . 7_455 ?
F(4) C(38) 3.163(10) . 7_455 ?
F(4) F(22) 3.193(9) . 3_565 ?
F(4) C(39) 3.428(9) . 7_455 ?
F(4) C(41) 3.565(8) . 7_455 ?
F(6) F(21) 3.080(8) . 7_455 ?
F(6) C(39) 3.221(10) . 7_455 ?
F(6) C(12) 3.22(1) . 7_455 ?
F(6) C(40) 3.27(1) . 7_455 ?
F(6) F(6) 3.50(2) . 7_455 ?
F(6) C(38) 3.50(1) . 7_455 ?
F(6) C(13) 3.51(1) . 7_455 ?
F(7) F(16) 2.934(8) . 5_445 ?
F(7) C(8) 3.039(8) . 7_455 ?
F(7) F(17) 3.391(7) . 5_445 ?
F(7) F(10) 3.403(7) . 3_555 ?
F(7) F(11) 3.512(6) . 3_555 ?
F(8) F(19) 3.084(5) . 3_555 ?
F(8) C(2) 3.19(1) . 3_555 ?
F(8) F(10) 3.393(7) . 3_555 ?
F(8) C(1) 3.415(10) . 3_555 ?
F(8) C(10) 3.501(9) . 4_554 ?
F(9) F(25) 2.86(2) . 7_555 ?
F(9) F(14) 2.91(2) . 2_554 ?
F(9) F(15) 2.98(2) . 2_554 ?
F(9) F(26) 3.14(2) . 7_555 ?
F(9) C(8) 3.227(10) . 7_455 ?
F(9) C(9) 3.295(9) . 7_455 ?
F(9) C(33) 3.425(9) . 2_554 ?
F(9) F(27) 3.57(2) . 7_555 ?
F(10) F(15) 3.41(1) . 7_555 ?
F(10) C(30) 3.490(8) . 7_555 ?
F(11) F(20) 3.356(6) . 3_555 ?
F(11) F(12) 3.443(7) . 7_555 ?
F(11) C(38) 3.515(7) . 3_555 ?
F(12) F(12) 3.226(8) . 7_555 ?
F(12) F(27) 3.30(2) . 2_655 ?
F(12) C(31) 3.413(6) . 7_555 ?
F(12) C(30) 3.445(7) . 7_555 ?
F(12) C(23) 3.565(8) . 7_555 ?
F(12) C(25) 3.581(8) . 7_555 ?
F(12) F(15) 3.59(2) . 7_555 ?
F(13) F(20) 3.16(2) . 3_555 ?
F(13) F(21) 3.29(1) . 3_555 ?
F(13) C(10) 3.36(1) . 3_555 ?
F(14) F(26) 2.95(3) . 7_555 ?
F(14) F(14) 3.08(4) . 2_554 ?
F(14) C(32) 3.31(2) . 2_554 ?
F(14) C(10) 3.50(2) . 3_555 ?
F(14) C(31) 3.57(2) . 2_554 ?
F(14) C(36) 3.59(2) . 2_554 ?
F(16) C(8) 3.44(1) . 3_565 ?
F(17) F(18) 3.029(8) . 2_554 ?
F(17) C(8) 3.235(9) . 3_565 ?
F(18) F(18) 3.17(1) . 2_554 ?
F(18) F(24) 3.285(8) . 3_565 ?
F(18) C(6) 3.411(9) . 4_564 ?
F(18) C(5) 3.543(9) . 3_565 ?
F(19) C(37) 3.099(7) . 3_555 ?
F(19) C(38) 3.165(8) . 3_555 ?
F(19) C(36) 3.441(7) . 3_555 ?
F(19) C(39) 3.496(7) . 3_555 ?
F(20) C(32) 3.409(6) . 3_555 ?
F(20) C(35) 3.456(7) . 3_555 ?
F(20) C(40) 3.470(8) . 3_555 ?
F(20) C(24) 3.558(7) . 3_555 ?
F(21) C(14) 3.317(8) . 7_455 ?
F(21) C(18) 3.54(1) . 7_455 ?
F(22) F(24) 3.194(7) . 3_565 ?
F(22) C(13) 3.203(9) . 3_565 ?
F(22) C(12) 3.459(7) . 3_565 ?
F(22) C(14) 3.463(8) . 3_565 ?
F(22) C(18) 3.56(1) . 3_565 ?
F(23) C(15) 3.426(7) . 3_565 ?
F(23) C(14) 3.512(9) . 3_565 ?
F(24) F(24) 3.547(9) . 3_565 ?
F(26) F(26) 2.86(4) . 2_655 ?
F(26) C(10) 3.14(2) . 6_555 ?
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------

#------------------------------------------------------------------------------
#------------------------------------------------------------------------------

# Attachment '- 2-PPh3-Pt Pt2Tr.cif'

data_usui6
_database_code_depnum_ccdc_archive 'CCDC 773672'
#TrackingRef '- 2-PPh3-Pt Pt2Tr.cif'

_audit_creation_date             'Fri May 8 18:41:26 2009'
_audit_creation_method           'by teXsan'
_audit_update_record             ?
#------------------------------------------------------------------------------

#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C81 H70 B F4 N P4 Pt2 '
_chemical_formula_moiety         'C81 H70 B F4 N P4 Pt2 '
_chemical_formula_weight         1658.33
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-y,1/2+z
_cell_length_a                   27.639(3)
_cell_length_b                   14.661(2)
_cell_length_c                   17.671(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.616(2)
_cell_angle_gamma                90
_cell_volume                     6959(1)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12097
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.4
_cell_measurement_temperature    123.2
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    4.148
_exptl_absorpt_correction_type   none
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            32546
_diffrn_reflns_av_R_equivalents  0.091
_diffrn_reflns_theta_min         ?
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > 3.0 sigma(F^2^). The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero
for negative F. The threshold expression of F^2^ > 3.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             7914
_reflns_number_gt                6191
_reflns_threshold_expression     >2.0sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0494
_refine_ls_wR_factor_ref         0.1489
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         6191
_refine_ls_number_parameters     430
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_shift/su_max          1.0580
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_diff_density_max         2.19
_refine_diff_density_min         -2.23
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.09185(1) 0.03298(2) 0.27780(1) 0.0202(1) Uani 1.00 d . . .
P(1) P 0.11853(5) 0.1510(1) 0.21354(9) 0.0196(3) Uani 1.00 d . . .
P(2) P 0.15046(5) -0.0788(1) 0.28584(9) 0.0206(3) Uani 1.00 d . . .
F(1) F 0.0671(3) 0.4894(6) 0.5042(6) 0.044(2) Uani 0.50 d P . .
F(2) F 0.1008(4) 0.5140(7) 0.6289(6) 0.048(2) Uani 0.50 d P . .
F(3) F 0.0280(4) 0.4403(8) 0.5902(6) 0.055(2) Uani 0.50 d P . .
F(4) F 0.1032(4) 0.3722(6) 0.5853(5) 0.048(2) Uani 0.50 d P . .
N(1) N 0.4870(8) 0.102(2) 0.785(1) 0.09231(8) Uiso 0.50 d P . .
C(1) C 0.0000 0.106(3) 0.2500 0.0796(1) Uiso 0.50 d SP . .
C(2) C 0.0242(6) 0.068(1) 0.311(1) 0.03212(4) Uiso 0.50 d P . .
C(3) C 0.0382(4) -0.023(1) 0.3325(7) 0.01506(3) Uiso 0.50 d P . .
C(4) C 0.0168(3) -0.1105(7) 0.2876(6) 0.00849(2) Uiso 0.50 d P . .
C(5) C 0.1288(2) 0.2554(4) 0.2710(3) 0.023(1) Uani 1.00 d . . .
C(6) C 0.1169(2) 0.2581(5) 0.3443(4) 0.031(1) Uani 1.00 d . . .
C(7) C 0.1213(3) 0.3383(6) 0.3865(4) 0.041(2) Uani 1.00 d . . .
C(8) C 0.1387(3) 0.4169(6) 0.3565(5) 0.044(2) Uani 1.00 d . . .
C(9) C 0.1520(2) 0.4152(5) 0.2853(4) 0.035(2) Uani 1.00 d . . .
C(10) C 0.1476(2) 0.3345(5) 0.2432(4) 0.029(1) Uani 1.00 d . . .
C(11) C 0.0711(2) 0.1816(4) 0.1256(4) 0.023(1) Uani 1.00 d . . .
C(12) C 0.0524(3) 0.2682(6) 0.1110(6) 0.064(3) Uani 1.00 d . . .
C(13) C 0.0155(4) 0.2874(7) 0.0432(7) 0.094(5) Uani 1.00 d . . .
C(14) C -0.0034(3) 0.2181(5) -0.0090(5) 0.042(2) Uani 1.00 d . . .
C(15) C 0.0135(2) 0.1312(5) 0.0071(4) 0.030(1) Uani 1.00 d . . .
C(16) C 0.0503(2) 0.1130(5) 0.0737(4) 0.027(1) Uani 1.00 d . . .
C(17) C 0.1767(2) 0.1410(4) 0.1808(3) 0.020(1) Uani 1.00 d . . .
C(18) C 0.1772(2) 0.1121(5) 0.1055(4) 0.025(1) Uani 1.00 d . . .
C(19) C 0.2227(3) 0.0995(5) 0.0851(4) 0.030(1) Uani 1.00 d . . .
C(20) C 0.2667(2) 0.1137(5) 0.1387(4) 0.032(2) Uani 1.00 d . . .
C(21) C 0.2671(2) 0.1413(5) 0.2140(4) 0.032(2) Uani 1.00 d . . .
C(22) C 0.2221(2) 0.1555(5) 0.2341(4) 0.026(1) Uani 1.00 d . . .
C(23) C 0.2103(2) -0.0600(5) 0.3547(3) 0.021(1) Uani 1.00 d . . .
C(24) C 0.2445(2) -0.1324(5) 0.3761(4) 0.028(1) Uani 1.00 d . . .
C(25) C 0.2911(2) -0.1158(6) 0.4253(4) 0.037(2) Uani 1.00 d . . .
C(26) C 0.3040(3) -0.0304(6) 0.4523(5) 0.040(2) Uani 1.00 d . . .
C(27) C 0.2706(3) 0.0426(5) 0.4342(4) 0.037(2) Uani 1.00 d . . .
C(28) C 0.2226(3) 0.0253(4) 0.3866(4) 0.027(1) Uani 1.00 d . . .
C(29) C 0.1645(2) -0.1046(4) 0.1920(3) 0.022(1) Uani 1.00 d . . .
C(30) C 0.1245(2) -0.1116(5) 0.1265(4) 0.027(1) Uani 1.00 d . . .
C(31) C 0.1326(2) -0.1334(5) 0.0542(4) 0.034(2) Uani 1.00 d . . .
C(32) C 0.1807(3) -0.1485(5) 0.0455(4) 0.035(2) Uani 1.00 d . . .
C(33) C 0.2206(2) -0.1415(5) 0.1093(4) 0.034(2) Uani 1.00 d . . .
C(34) C 0.2133(2) -0.1195(5) 0.1825(4) 0.027(1) Uani 1.00 d . . .
C(35) C 0.1308(2) -0.1889(5) 0.3174(4) 0.030(1) Uani 1.00 d . . .
C(36) C 0.1297(2) -0.1984(6) 0.3959(4) 0.039(2) Uani 1.00 d . . .
C(37) C 0.1083(3) -0.2742(7) 0.4218(5) 0.055(3) Uani 1.00 d . . .
C(38) C 0.0876(3) -0.3423(6) 0.3691(6) 0.055(3) Uani 1.00 d . . .
C(39) C 0.0903(3) -0.3367(6) 0.2914(6) 0.050(2) Uani 1.00 d . . .
C(40) C 0.1113(2) -0.2596(5) 0.2654(4) 0.036(2) Uani 1.00 d . . .
C(41) C 0.5000 0.047(2) 0.7500 0.11196(9) Uiso 1.00 d S . .
C(42) C 0.4811(6) 0.003(1) 0.814(1) 0.04655(5) Uiso 0.50 d P . .
C(43) C 0.0172(5) 0.0927(10) 0.2812(10) 0.02079(3) Uiso 0.50 d P . .
C(44) C 0.0340(6) 0.033(1) 0.338(1) 0.03112(4) Uiso 0.50 d P . .
C(45) C 0.0401(5) -0.062(1) 0.3273(9) 0.03423(5) Uiso 0.50 d P . .
C(46) C 0.0000 -0.120(2) 0.2500 0.06451(10) Uiso 0.50 d SP . .
B(1) B 0.0818(7) 0.443(1) 0.576(1) 0.04290(5) Uiso 0.50 d P . .
H(1) H 0.0655 0.3168 0.1473 0.0751 Uiso 1.00 calc . . .
H(2) H 0.0024 0.3488 0.0354 0.1115 Uiso 1.00 calc . . .
H(3) H -0.0283 0.2316 -0.0558 0.0507 Uiso 1.00 calc . . .
H(4) H 0.0002 0.0820 -0.0284 0.0369 Uiso 1.00 calc . . .
H(5) H 0.0614 0.0511 0.0857 0.0316 Uiso 1.00 calc . . .
H(6) H 0.1466 0.1019 0.0680 0.0300 Uiso 1.00 calc . . .
H(7) H 0.2224 0.0800 0.0329 0.0365 Uiso 1.00 calc . . .
H(8) H 0.2979 0.1055 0.1240 0.0364 Uiso 1.00 calc . . .
H(9) H 0.2978 0.1502 0.2524 0.0398 Uiso 1.00 calc . . .
H(10) H 0.2220 0.1759 0.2857 0.0308 Uiso 1.00 calc . . .
H(11) H 0.2354 -0.1928 0.3561 0.0325 Uiso 1.00 calc . . .
H(12) H 0.3142 -0.1646 0.4404 0.0448 Uiso 1.00 calc . . .
H(13) H 0.3369 -0.0186 0.4827 0.0480 Uiso 1.00 calc . . .
H(14) H 0.2792 0.1024 0.4560 0.0431 Uiso 1.00 calc . . .
H(15) H 0.1997 0.0741 0.3747 0.0338 Uiso 1.00 calc . . .
H(16) H 0.1443 -0.1512 0.4327 0.0474 Uiso 1.00 calc . . .
H(17) H 0.1076 -0.2804 0.4757 0.0660 Uiso 1.00 calc . . .
H(18) H 0.0711 -0.3929 0.3867 0.0638 Uiso 1.00 calc . . .
H(19) H 0.0776 -0.3857 0.2553 0.0593 Uiso 1.00 calc . . .
H(20) H 0.1122 -0.2538 0.2115 0.0415 Uiso 1.00 calc . . .
H(21) H 0.0913 -0.1013 0.1328 0.0328 Uiso 1.00 calc . . .
H(22) H 0.1046 -0.1371 0.0096 0.0394 Uiso 1.00 calc . . .
H(23) H 0.1862 -0.1665 -0.0041 0.0413 Uiso 1.00 calc . . .
H(24) H 0.2539 -0.1500 0.1032 0.0404 Uiso 1.00 calc . . .
H(25) H 0.2410 -0.1152 0.2265 0.0316 Uiso 1.00 calc . . .
H(26) H 0.1047 0.2039 0.3646 0.0376 Uiso 1.00 calc . . .
H(27) H 0.1128 0.3411 0.4353 0.0503 Uiso 1.00 calc . . .
H(28) H 0.1411 0.4731 0.3857 0.0513 Uiso 1.00 calc . . .
H(29) H 0.1639 0.4699 0.2650 0.0436 Uiso 1.00 calc . . .
H(30) H 0.1573 0.3327 0.1943 0.0340 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.0166(2) 0.0250(2) 0.0199(2) 0.00439(8) 0.0063(1) 0.00622(9)
P(1) 0.0170(7) 0.0237(8) 0.0185(7) 0.0011(6) 0.0052(6) 0.0042(6)
P(2) 0.0163(7) 0.0257(9) 0.0201(7) 0.0041(6) 0.0047(6) 0.0048(6)
F(1) 0.028(4) 0.025(4) 0.065(6) -0.001(3) -0.017(4) 0.011(4)
F(2) 0.052(5) 0.044(5) 0.046(6) -0.017(4) 0.010(4) -0.027(4)
F(3) 0.049(6) 0.072(7) 0.045(6) -0.020(5) 0.013(4) -0.007(5)
F(4) 0.066(6) 0.046(5) 0.046(5) -0.025(4) 0.043(5) -0.018(4)
C(5) 0.017(3) 0.030(4) 0.017(3) 0.004(2) -0.003(2) 0.000(2)
C(6) 0.028(3) 0.042(4) 0.023(3) 0.004(3) 0.005(3) -0.002(3)
C(7) 0.038(4) 0.067(6) 0.019(3) 0.003(4) 0.005(3) -0.012(3)
C(8) 0.031(4) 0.054(5) 0.041(4) -0.002(3) -0.005(3) -0.033(4)
C(9) 0.026(3) 0.037(4) 0.038(4) -0.004(3) 0.002(3) -0.011(3)
C(10) 0.021(3) 0.036(4) 0.028(3) 0.000(3) 0.002(2) -0.002(3)
C(11) 0.019(3) 0.027(3) 0.023(3) -0.004(2) 0.006(2) 0.005(3)
C(12) 0.057(5) 0.026(4) 0.079(7) 0.002(3) -0.045(5) 0.008(4)
C(13) 0.089(7) 0.034(5) 0.110(9) -0.002(5) -0.075(7) 0.019(6)
C(14) 0.036(4) 0.034(4) 0.043(4) -0.004(3) -0.016(3) 0.015(4)
C(15) 0.026(3) 0.047(4) 0.019(3) -0.001(3) 0.008(2) -0.003(3)
C(16) 0.028(3) 0.031(4) 0.020(3) 0.007(3) 0.002(2) 0.002(3)
C(17) 0.020(3) 0.018(3) 0.025(3) 0.002(2) 0.006(2) 0.005(2)
C(18) 0.019(3) 0.035(4) 0.023(3) 0.002(2) 0.008(2) 0.003(3)
C(19) 0.035(4) 0.032(4) 0.030(3) 0.005(3) 0.021(3) 0.003(3)
C(20) 0.020(3) 0.034(4) 0.045(4) 0.009(3) 0.014(3) 0.014(3)
C(21) 0.027(3) 0.034(4) 0.034(4) 0.003(3) 0.003(3) 0.014(3)
C(22) 0.021(3) 0.032(4) 0.025(3) -0.001(2) 0.006(2) 0.002(3)
C(23) 0.022(3) 0.025(3) 0.016(3) 0.000(2) 0.004(2) 0.000(2)
C(24) 0.021(3) 0.035(4) 0.024(3) 0.004(2) -0.001(2) -0.009(3)
C(25) 0.023(3) 0.056(5) 0.029(4) 0.010(3) 0.001(3) -0.001(3)
C(26) 0.020(3) 0.070(6) 0.031(4) -0.007(3) 0.007(3) -0.006(4)
C(27) 0.040(4) 0.046(5) 0.025(4) -0.015(3) 0.006(3) -0.009(3)
C(28) 0.030(3) 0.029(4) 0.022(3) 0.004(2) 0.008(3) 0.001(3)
C(29) 0.021(3) 0.023(3) 0.021(3) 0.002(2) 0.005(2) 0.004(2)
C(30) 0.018(3) 0.033(4) 0.027(3) 0.002(2) 0.003(2) 0.003(3)
C(31) 0.027(3) 0.047(4) 0.024(3) -0.005(3) -0.003(3) 0.003(3)
C(32) 0.038(4) 0.045(5) 0.022(3) -0.007(3) 0.006(3) -0.004(3)
C(33) 0.022(3) 0.045(4) 0.037(4) -0.004(3) 0.008(3) -0.005(3)
C(34) 0.025(3) 0.035(4) 0.020(3) 0.000(2) 0.004(2) -0.005(3)
C(35) 0.012(3) 0.038(4) 0.037(4) 0.000(2) 0.001(2) 0.014(3)
C(36) 0.024(3) 0.052(5) 0.035(4) -0.004(3) -0.004(3) 0.024(4)
C(37) 0.031(4) 0.075(6) 0.052(5) -0.010(4) -0.002(3) 0.041(5)
C(38) 0.039(4) 0.055(6) 0.065(6) -0.023(4) -0.004(4) 0.033(5)
C(39) 0.031(4) 0.042(5) 0.068(6) -0.009(3) -0.003(4) 0.020(4)
C(40) 0.023(3) 0.034(4) 0.049(4) 0.001(3) 0.007(3) 0.018(3)
#------------------------------------------------------------------------------
_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_computing_structure_refinement  SHELXL97
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) P(1) 2.286(2) . . yes
Pt(1) P(2) 2.285(2) . . yes
Pt(1) C(2) 2.15(2) . . yes
Pt(1) C(3) 2.12(1) . . yes
Pt(1) C(43) 2.25(1) . . yes
Pt(1) C(44) 2.12(2) . . yes
Pt(1) C(45) 2.31(2) . . yes
P(1) C(5) 1.821(6) . . yes
P(1) C(11) 1.838(6) . . yes
P(1) C(17) 1.839(6) . . yes
P(2) C(23) 1.829(5) . . yes
P(2) C(29) 1.831(7) . . yes
P(2) C(35) 1.831(7) . . yes
F(1) B(1) 1.41(2) . . yes
F(2) B(1) 1.41(2) . . yes
F(3) B(1) 1.57(2) . . yes
F(4) B(1) 1.19(2) . . yes
N(1) N(1) 1.58(5) . 2_656 yes
N(1) C(41) 1.13(3) . . yes
N(1) C(42) 1.56(3) . . yes
C(1) C(2) 1.25(3) . . yes
C(1) C(2) 1.25(3) . 2_555 yes
C(1) C(43) 0.67(2) . . yes
C(1) C(43) 0.67(2) . 2_555 yes
C(2) C(3) 1.41(3) . . yes
C(2) C(43) 0.63(3) . . yes
C(2) C(43) 1.79(2) . 2_555 yes
C(2) C(44) 0.71(3) . . yes
C(3) C(4) 1.55(2) . . yes
C(3) C(44) 0.83(3) . . yes
C(3) C(45) 0.59(3) . . yes
C(4) C(4) 1.43(2) . 2_555 yes
C(4) C(45) 1.09(2) . . yes
C(4) C(46) 0.73(1) . . yes
C(5) C(6) 1.411(9) . . yes
C(5) C(10) 1.406(9) . . yes
C(6) C(7) 1.38(1) . . yes
C(7) C(8) 1.40(1) . . yes
C(8) C(9) 1.39(1) . . yes
C(9) C(10) 1.39(1) . . yes
C(11) C(12) 1.37(1) . . yes
C(11) C(16) 1.391(9) . . yes
C(12) C(13) 1.41(1) . . yes
C(13) C(14) 1.39(1) . . yes
C(14) C(15) 1.36(1) . . yes
C(15) C(16) 1.389(8) . . yes
C(17) C(18) 1.398(9) . . yes
C(17) C(22) 1.396(7) . . yes
C(18) C(19) 1.400(10) . . yes
C(19) C(20) 1.371(8) . . yes
C(20) C(21) 1.39(1) . . yes
C(21) C(22) 1.389(10) . . yes
C(23) C(24) 1.414(9) . . yes
C(23) C(28) 1.381(9) . . yes
C(24) C(25) 1.395(8) . . yes
C(25) C(26) 1.36(1) . . yes
C(26) C(27) 1.40(1) . . yes
C(27) C(28) 1.416(10) . . yes
C(29) C(30) 1.403(8) . . yes
C(29) C(34) 1.413(9) . . yes
C(30) C(31) 1.386(10) . . yes
C(31) C(32) 1.39(1) . . yes
C(32) C(33) 1.384(9) . . yes
C(33) C(34) 1.39(1) . . yes
C(35) C(36) 1.40(1) . . yes
C(35) C(40) 1.405(10) . . yes
C(36) C(37) 1.39(1) . . yes
C(37) C(38) 1.39(1) . . yes
C(38) C(39) 1.39(1) . . yes
C(39) C(40) 1.40(1) . . yes
C(41) C(42) 1.50(2) . . yes
C(41) C(42) 1.50(2) . 2_656 yes
C(43) C(43) 1.28(3) . 2_555 yes
C(43) C(44) 1.33(2) . . yes
C(44) C(45) 1.42(3) . . yes
C(45) C(46) 1.76(2) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(1) Pt(1) P(2) 105.49(6) . . . yes
P(1) Pt(1) C(2) 111.0(5) . . . yes
P(1) Pt(1) C(3) 149.6(4) . . . yes
P(1) Pt(1) C(43) 97.1(4) . . . yes
P(1) Pt(1) C(44) 128.3(5) . . . yes
P(1) Pt(1) C(45) 161.0(4) . . . yes
P(2) Pt(1) C(2) 143.4(5) . . . yes
P(2) Pt(1) C(3) 104.9(4) . . . yes
P(2) Pt(1) C(43) 156.4(4) . . . yes
P(2) Pt(1) C(44) 125.2(5) . . . yes
P(2) Pt(1) C(45) 92.1(5) . . . yes
C(2) Pt(1) C(3) 38.6(7) . . . yes
C(2) Pt(1) C(43) 16.3(7) . . . yes
C(2) Pt(1) C(44) 19.1(7) . . . yes
C(2) Pt(1) C(45) 51.9(7) . . . yes
C(3) Pt(1) C(43) 52.7(6) . . . yes
C(3) Pt(1) C(44) 22.7(7) . . . yes
C(3) Pt(1) C(45) 14.4(7) . . . yes
C(43) Pt(1) C(44) 35.3(6) . . . yes
C(43) Pt(1) C(45) 64.7(6) . . . yes
C(44) Pt(1) C(45) 37.1(7) . . . yes
Pt(1) P(1) C(5) 112.7(2) . . . yes
Pt(1) P(1) C(11) 110.8(2) . . . yes
Pt(1) P(1) C(17) 120.3(2) . . . yes
C(5) P(1) C(11) 104.7(3) . . . yes
C(5) P(1) C(17) 102.1(3) . . . yes
C(11) P(1) C(17) 104.8(3) . . . yes
Pt(1) P(2) C(23) 116.7(2) . . . yes
Pt(1) P(2) C(29) 113.0(2) . . . yes
Pt(1) P(2) C(35) 113.2(2) . . . yes
C(23) P(2) C(29) 106.4(3) . . . yes
C(23) P(2) C(35) 102.5(3) . . . yes
C(29) P(2) C(35) 103.6(3) . . . yes
N(1) N(1) C(41) 45(1) 2_656 . . yes
N(1) N(1) C(42) 110(1) 2_656 . . yes
C(41) N(1) C(42) 65(1) . . . yes
C(2) C(1) C(2) 127(3) . . 2_555 yes
C(2) C(1) C(43) 14(1) . . . yes
C(2) C(1) C(43) 135(4) . . 2_555 yes
C(2) C(1) C(43) 135(4) 2_555 . . yes
C(2) C(1) C(43) 14(1) 2_555 . 2_555 yes
C(43) C(1) C(43) 147(6) . . 2_555 yes
Pt(1) C(2) C(1) 101(1) . . . yes
Pt(1) C(2) C(3) 69.6(9) . . . yes
Pt(1) C(2) C(43) 91(2) . . . yes
Pt(1) C(2) C(43) 102(1) . . 2_555 yes
Pt(1) C(2) C(44) 78(2) . . . yes
C(1) C(2) C(3) 134(2) . . . yes
C(1) C(2) C(43) 15(1) . . . yes
C(1) C(2) C(43) 14(1) . . 2_555 yes
C(1) C(2) C(44) 160(3) . . . yes
C(3) C(2) C(43) 141(2) . . . yes
C(3) C(2) C(43) 121(1) . . 2_555 yes
C(3) C(2) C(44) 26(1) . . . yes
C(43) C(2) C(43) 28(1) . . 2_555 yes
C(43) C(2) C(44) 167(4) . . . yes
C(43) C(2) C(44) 145(2) 2_555 . . yes
Pt(1) C(3) C(2) 71.9(10) . . . yes
Pt(1) C(3) C(4) 108.0(8) . . . yes
Pt(1) C(3) C(44) 79(1) . . . yes
Pt(1) C(3) C(45) 102(2) . . . yes
C(2) C(3) C(4) 126(1) . . . yes
C(2) C(3) C(44) 22(1) . . . yes
C(2) C(3) C(45) 155(2) . . . yes
C(4) C(3) C(44) 145(1) . . . yes
C(4) C(3) C(45) 31(1) . . . yes
C(44) C(3) C(45) 176(2) . . . yes
C(3) C(4) C(4) 124.0(6) . . 2_555 yes
C(3) C(4) C(45) 16(1) . . . yes
C(3) C(4) C(46) 134(2) . . . yes
C(4) C(4) C(45) 138(1) 2_555 . . yes
C(4) C(4) C(46) 10(2) 2_555 . . yes
C(45) C(4) C(46) 149(2) . . . yes
P(1) C(5) C(6) 119.7(5) . . . yes
P(1) C(5) C(10) 121.4(5) . . . yes
C(6) C(5) C(10) 118.9(6) . . . yes
C(5) C(6) C(7) 120.6(7) . . . yes
C(6) C(7) C(8) 119.4(7) . . . yes
C(7) C(8) C(9) 121.0(7) . . . yes
C(8) C(9) C(10) 119.4(7) . . . yes
C(5) C(10) C(9) 120.6(7) . . . yes
P(1) C(11) C(12) 123.1(5) . . . yes
P(1) C(11) C(16) 118.8(5) . . . yes
C(12) C(11) C(16) 117.9(6) . . . yes
C(11) C(12) C(13) 120.7(8) . . . yes
C(12) C(13) C(14) 120.2(8) . . . yes
C(13) C(14) C(15) 119.1(7) . . . yes
C(14) C(15) C(16) 120.3(6) . . . yes
C(11) C(16) C(15) 121.7(6) . . . yes
P(1) C(17) C(18) 121.9(4) . . . yes
P(1) C(17) C(22) 119.2(5) . . . yes
C(18) C(17) C(22) 118.7(6) . . . yes
C(17) C(18) C(19) 119.7(5) . . . yes
C(18) C(19) C(20) 120.4(6) . . . yes
C(19) C(20) C(21) 120.9(6) . . . yes
C(20) C(21) C(22) 118.9(5) . . . yes
C(17) C(22) C(21) 121.4(6) . . . yes
P(2) C(23) C(24) 120.6(5) . . . yes
P(2) C(23) C(28) 120.4(5) . . . yes
C(24) C(23) C(28) 119.1(5) . . . yes
C(23) C(24) C(25) 119.8(6) . . . yes
C(24) C(25) C(26) 120.5(7) . . . yes
C(25) C(26) C(27) 121.4(6) . . . yes
C(26) C(27) C(28) 118.3(7) . . . yes
C(23) C(28) C(27) 120.7(6) . . . yes
P(2) C(29) C(30) 117.8(5) . . . yes
P(2) C(29) C(34) 123.4(4) . . . yes
C(30) C(29) C(34) 118.7(6) . . . yes
C(29) C(30) C(31) 120.7(6) . . . yes
C(30) C(31) C(32) 120.2(5) . . . yes
C(31) C(32) C(33) 119.9(7) . . . yes
C(32) C(33) C(34) 120.7(6) . . . yes
C(29) C(34) C(33) 119.8(5) . . . yes
P(2) C(35) C(36) 117.8(5) . . . yes
P(2) C(35) C(40) 123.2(6) . . . yes
C(36) C(35) C(40) 118.6(7) . . . yes
C(35) C(36) C(37) 121.1(7) . . . yes
C(36) C(37) C(38) 119.6(8) . . . yes
C(37) C(38) C(39) 120.5(9) . . . yes
C(38) C(39) C(40) 119.6(8) . . . yes
C(35) C(40) C(39) 120.5(7) . . . yes
N(1) C(41) N(1) 88(2) . . 2_656 yes
N(1) C(41) C(42) 71(1) . . . yes
N(1) C(41) C(42) 159(2) . . 2_656 yes
N(1) C(41) C(42) 159(2) 2_656 . . yes
N(1) C(41) C(42) 71(1) 2_656 . 2_656 yes
C(42) C(41) C(42) 128(2) . . 2_656 yes
N(1) C(42) C(41) 43(1) . . . yes
Pt(1) C(43) C(1) 124(2) . . . yes
Pt(1) C(43) C(2) 72(2) . . . yes
Pt(1) C(43) C(2) 106.9(10) . . 2_555 yes
Pt(1) C(43) C(43) 118(1) . . 2_555 yes
Pt(1) C(43) C(44) 66.9(10) . . . yes
C(1) C(43) C(2) 150(3) . . . yes
C(1) C(43) C(2) 29(3) . . 2_555 yes
C(1) C(43) C(43) 16(3) . . 2_555 yes
C(1) C(43) C(44) 150(3) . . . yes
C(2) C(43) C(2) 129(2) . . 2_555 yes
C(2) C(43) C(43) 137(2) . . 2_555 yes
C(2) C(43) C(44) 6(2) . . . yes
C(2) C(43) C(43) 13.8(9) 2_555 . 2_555 yes
C(2) C(43) C(44) 125(1) 2_555 . . yes
C(43) C(43) C(44) 135(1) 2_555 . . yes
Pt(1) C(44) C(2) 82(2) . . . yes
Pt(1) C(44) C(3) 78(1) . . . yes
Pt(1) C(44) C(43) 77(1) . . . yes
Pt(1) C(44) C(45) 78(1) . . . yes
C(2) C(44) C(3) 131(2) . . . yes
C(2) C(44) C(43) 6(1) . . . yes
C(2) C(44) C(45) 130(2) . . . yes
C(3) C(44) C(43) 125(2) . . . yes
C(3) C(44) C(45) 1.3(10) . . . yes
C(43) C(44) C(45) 124(1) . . . yes
Pt(1) C(45) C(3) 63(2) . . . yes
Pt(1) C(45) C(4) 118(1) . . . yes
Pt(1) C(45) C(44) 64(1) . . . yes
Pt(1) C(45) C(46) 109.2(9) . . . yes
C(3) C(45) C(4) 132(2) . . . yes
C(3) C(45) C(44) 1(1) . . . yes
C(3) C(45) C(46) 122(2) . . . yes
C(4) C(45) C(44) 130(1) . . . yes
C(4) C(45) C(46) 12(1) . . . yes
C(44) C(45) C(46) 120(1) . . . yes
C(4) C(46) C(4) 158(5) . . 2_555 yes
C(4) C(46) C(45) 18(1) . . . yes
C(4) C(46) C(45) 140(3) . . 2_555 yes
C(4) C(46) C(45) 140(3) 2_555 . . yes
C(4) C(46) C(45) 18(1) 2_555 . 2_555 yes
C(45) C(46) C(45) 122(2) . . 2_555 yes
F(1) B(1) F(2) 102(1) . . . yes
F(1) B(1) F(3) 94(1) . . . yes
F(1) B(1) F(4) 124(1) . . . yes
F(2) B(1) F(3) 97(1) . . . yes
F(2) B(1) F(4) 117(1) . . . yes
F(3) B(1) F(4) 114(1) . . . yes
#------------------------------------------------------------------------------
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) P(1) C(5) C(6) -4.4(5) . . . . yes
Pt(1) P(1) C(5) C(10) 176.9(4) . . . . yes
Pt(1) P(1) C(11) C(12) 125.0(7) . . . . yes
Pt(1) P(1) C(11) C(16) -50.2(6) . . . . yes
Pt(1) P(1) C(17) C(18) 94.2(5) . . . . yes
Pt(1) P(1) C(17) C(22) -80.7(5) . . . . yes
Pt(1) P(2) C(23) C(24) 166.3(5) . . . . yes
Pt(1) P(2) C(23) C(28) -13.8(7) . . . . yes
Pt(1) P(2) C(29) C(30) -43.4(6) . . . . yes
Pt(1) P(2) C(29) C(34) 137.9(5) . . . . yes
Pt(1) P(2) C(35) C(36) -73.5(5) . . . . yes
Pt(1) P(2) C(35) C(40) 98.7(5) . . . . yes
Pt(1) C(2) C(1) C(2) 80.1(9) . . . 2_555 yes
Pt(1) C(2) C(1) C(43) -50(8) . . . . yes
Pt(1) C(2) C(1) C(43) 95(2) . . . 2_555 yes
Pt(1) C(2) C(3) C(4) -99(1) . . . . yes
Pt(1) C(2) C(3) C(44) 105(3) . . . . yes
Pt(1) C(2) C(3) C(45) -79(5) . . . . yes
Pt(1) C(2) C(43) C(1) 130(7) . . . . yes
Pt(1) C(2) C(43) C(2) 97(1) . . . 2_555 yes
Pt(1) C(2) C(43) C(43) 113(3) . . . 2_555 yes
Pt(1) C(2) C(43) C(44) 39(14) . . . . yes
Pt(1) C(2) C(43) C(1) -87(2) . . 2_555 . yes
Pt(1) C(2) C(43) C(2) 59(3) . . 2_555 2_555 yes
Pt(1) C(2) C(43) C(43) -70(4) . . 2_555 . yes
Pt(1) C(2) C(43) C(44) 66(1) . . 2_555 2_555 yes
Pt(1) C(2) C(44) C(3) -66(3) . . . . yes
Pt(1) C(2) C(44) C(43) -40(14) . . . . yes
Pt(1) C(2) C(44) C(45) -68(2) . . . . yes
Pt(1) C(3) C(2) C(1) 85(2) . . . . yes
Pt(1) C(3) C(2) C(43) 65(3) . . . . yes
Pt(1) C(3) C(2) C(43) 92(1) . . . 2_555 yes
Pt(1) C(3) C(2) C(44) -105(3) . . . . yes
Pt(1) C(3) C(4) C(4) -73(1) . . . 2_555 yes
Pt(1) C(3) C(4) C(45) 83(3) . . . . yes
Pt(1) C(3) C(4) C(46) -73(1) . . . . yes
Pt(1) C(3) C(44) C(2) 68(3) . . . . yes
Pt(1) C(3) C(44) C(43) 65(2) . . . . yes
Pt(1) C(3) C(44) C(45) 110(57) . . . . yes
Pt(1) C(3) C(45) C(4) -104(3) . . . . yes
Pt(1) C(3) C(45) C(44) -110(58) . . . . yes
Pt(1) C(3) C(45) C(46) -96(1) . . . . yes
Pt(1) C(43) C(1) C(2) 118(9) . . . . yes
Pt(1) C(43) C(1) C(2) 58(4) . . . 2_555 yes
Pt(1) C(43) C(1) C(43) 73(2) . . . 2_555 yes
Pt(1) C(43) C(2) C(1) -130(7) . . . . yes
Pt(1) C(43) C(2) C(3) -58(3) . . . . yes
Pt(1) C(43) C(2) C(43) -113(3) . . . 2_555 yes
Pt(1) C(43) C(2) C(44) -39(14) . . . . yes
Pt(1) C(43) C(2) C(1) -132(3) . . 2_555 . yes
Pt(1) C(43) C(2) C(3) 66(1) . . 2_555 2_555 yes
Pt(1) C(43) C(2) C(43) -150(4) . . 2_555 2_555 yes
Pt(1) C(43) C(2) C(44) 52(4) . . 2_555 2_555 yes
Pt(1) C(43) C(43) Pt(1) 127(1) . . 2_555 2_555 yes
Pt(1) C(43) C(43) C(1) -116.3(7) . . 2_555 . yes
Pt(1) C(43) C(43) C(2) 94(4) . . 2_555 . yes
Pt(1) C(43) C(43) C(2) 32(4) . . 2_555 2_555 yes
Pt(1) C(43) C(43) C(44) 42(3) . . 2_555 2_555 yes
Pt(1) C(43) C(44) C(2) 138(15) . . . . yes
Pt(1) C(43) C(44) C(3) -65(2) . . . . yes
Pt(1) C(43) C(44) C(45) -66(1) . . . . yes
Pt(1) C(44) C(2) C(1) 91(8) . . . . yes
Pt(1) C(44) C(2) C(3) 66(3) . . . . yes
Pt(1) C(44) C(2) C(43) 40(14) . . . . yes
Pt(1) C(44) C(2) C(43) 95(4) . . . 2_555 yes
Pt(1) C(44) C(3) C(2) -68(3) . . . . yes
Pt(1) C(44) C(3) C(4) -105(3) . . . . yes
Pt(1) C(44) C(3) C(45) -110(57) . . . . yes
Pt(1) C(44) C(43) C(1) 120(5) . . . . yes
Pt(1) C(44) C(43) C(2) -138(15) . . . . yes
Pt(1) C(44) C(43) C(2) 94(1) . . . 2_555 yes
Pt(1) C(44) C(43) C(43) 108(2) . . . 2_555 yes
Pt(1) C(44) C(45) C(3) 68(57) . . . . yes
Pt(1) C(44) C(45) C(4) -105(2) . . . . yes
Pt(1) C(44) C(45) C(46) -98(1) . . . . yes
Pt(1) C(45) C(3) C(2) 72(5) . . . . yes
Pt(1) C(45) C(3) C(4) 104(3) . . . . yes
Pt(1) C(45) C(3) C(44) 110(58) . . . . yes
Pt(1) C(45) C(4) C(3) -78(3) . . . . yes
Pt(1) C(45) C(4) C(4) -49(2) . . . 2_555 yes
Pt(1) C(45) C(4) C(46) -45(3) . . . . yes
Pt(1) C(45) C(44) C(2) 69(3) . . . . yes
Pt(1) C(45) C(44) C(3) -68(57) . . . . yes
Pt(1) C(45) C(44) C(43) 66(1) . . . . yes
Pt(1) C(45) C(46) C(4) 138(3) . . . . yes
Pt(1) C(45) C(46) C(4) -49(1) . . . 2_555 yes
Pt(1) C(45) C(46) C(45) -57.5(7) . . . 2_555 yes
P(1) Pt(1) P(2) C(23) 73.1(2) . . . . yes
P(1) Pt(1) P(2) C(29) -50.8(2) . . . . yes
P(1) Pt(1) P(2) C(35) -168.2(2) . . . . yes
P(1) Pt(1) C(2) C(1) 43(1) . . . . yes
P(1) Pt(1) C(2) C(3) 177.7(7) . . . . yes
P(1) Pt(1) C(2) C(43) 32(2) . . . . yes
P(1) Pt(1) C(2) C(43) 59.0(10) . . . 2_555 yes
P(1) Pt(1) C(2) C(44) -156(1) . . . . yes
P(1) Pt(1) C(3) C(2) -4(1) . . . . yes
P(1) Pt(1) C(3) C(4) 119.3(8) . . . . yes
P(1) Pt(1) C(3) C(44) -26(1) . . . . yes
P(1) Pt(1) C(3) C(45) 151(1) . . . . yes
P(1) Pt(1) C(43) C(1) 56(4) . . . . yes
P(1) Pt(1) C(43) C(2) -150(2) . . . . yes
P(1) Pt(1) C(43) C(2) 82.8(9) . . . 2_555 yes
P(1) Pt(1) C(43) C(43) 75.0(9) . . . 2_555 yes
P(1) Pt(1) C(43) C(44) -154.8(10) . . . . yes
P(1) Pt(1) C(44) C(2) 28(2) . . . . yes
P(1) Pt(1) C(44) C(3) 163(1) . . . . yes
P(1) Pt(1) C(44) C(43) 32(1) . . . . yes
P(1) Pt(1) C(44) C(45) 162.3(6) . . . . yes
P(1) Pt(1) C(45) C(3) -48(2) . . . . yes
P(1) Pt(1) C(45) C(4) 77(2) . . . . yes
P(1) Pt(1) C(45) C(44) -46(1) . . . . yes
P(1) Pt(1) C(45) C(46) 68(2) . . . . yes
P(1) C(5) C(6) C(7) -175.6(5) . . . . yes
P(1) C(5) C(10) C(9) 175.5(4) . . . . yes
P(1) C(11) C(12) C(13) -179.0(8) . . . . yes
P(1) C(11) C(16) C(15) 178.6(5) . . . . yes
P(1) C(17) C(18) C(19) -175.6(5) . . . . yes
P(1) C(17) C(22) C(21) 174.5(5) . . . . yes
P(2) Pt(1) P(1) C(5) -120.3(2) . . . . yes
P(2) Pt(1) P(1) C(11) 122.7(2) . . . . yes
P(2) Pt(1) P(1) C(17) 0.1(2) . . . . yes
P(2) Pt(1) C(2) C(1) -139(1) . . . . yes
P(2) Pt(1) C(2) C(3) -5(1) . . . . yes
P(2) Pt(1) C(2) C(43) -150(1) . . . . yes
P(2) Pt(1) C(2) C(43) -123.8(8) . . . 2_555 yes
P(2) Pt(1) C(2) C(44) 20(2) . . . . yes
P(2) Pt(1) C(3) C(2) 176.9(8) . . . . yes
P(2) Pt(1) C(3) C(4) -59.7(7) . . . . yes
P(2) Pt(1) C(3) C(44) 155(1) . . . . yes
P(2) Pt(1) C(3) C(45) -27(1) . . . . yes
P(2) Pt(1) C(43) C(1) -106(4) . . . . yes
P(2) Pt(1) C(43) C(2) 46(2) . . . . yes
P(2) Pt(1) C(43) C(2) -80(1) . . . 2_555 yes
P(2) Pt(1) C(43) C(43) -88(1) . . . 2_555 yes
P(2) Pt(1) C(43) C(44) 42(1) . . . . yes
P(2) Pt(1) C(44) C(2) -164(1) . . . . yes
P(2) Pt(1) C(44) C(3) -29(1) . . . . yes
P(2) Pt(1) C(44) C(43) -160.9(7) . . . . yes
P(2) Pt(1) C(44) C(45) -31.1(10) . . . . yes
P(2) Pt(1) C(45) C(3) 153(1) . . . . yes
P(2) Pt(1) C(45) C(4) -80(1) . . . . yes
P(2) Pt(1) C(45) C(44) 155.0(8) . . . . yes
P(2) Pt(1) C(45) C(46) -89(1) . . . . yes
P(2) C(23) C(24) C(25) 176.4(5) . . . . yes
P(2) C(23) C(28) C(27) -174.1(6) . . . . yes
P(2) C(29) C(30) C(31) -178.2(5) . . . . yes
P(2) C(29) C(34) C(33) 178.1(5) . . . . yes
P(2) C(35) C(36) C(37) 170.2(6) . . . . yes
P(2) C(35) C(40) C(39) -170.6(5) . . . . yes
N(1) N(1) C(41) C(42) -11(4) . 2_656 . . yes
N(1) N(1) C(41) C(42) 175(1) . 2_656 . 2_656 yes
N(1) N(1) C(42) C(41) -3(1) . 2_656 2_656 . yes
N(1) C(41) N(1) C(42) -175(1) . . 2_656 2_656 yes
N(1) C(42) C(41) C(42) -176(1) . . . 2_656 yes
C(1) C(2) Pt(1) C(3) -134(2) . . . . yes
C(1) C(2) Pt(1) C(43) 11(2) . . . . yes
C(1) C(2) Pt(1) C(44) -159(3) . . . . yes
C(1) C(2) Pt(1) C(45) -126(2) . . . . yes
C(1) C(2) C(3) C(4) -13(3) . . . . yes
C(1) C(2) C(3) C(44) -168(4) . . . . yes
C(1) C(2) C(3) C(45) 6(6) . . . . yes
C(1) C(2) C(43) C(2) -33(6) . . . 2_555 yes
C(1) C(2) C(43) C(43) -17(5) . . . 2_555 yes
C(1) C(2) C(43) C(44) -90(16) . . . . yes
C(1) C(2) C(43) C(2) 146(5) . . 2_555 2_555 yes
C(1) C(2) C(43) C(43) 17(3) . . 2_555 . yes
C(1) C(2) C(43) C(44) 153(3) . . 2_555 2_555 yes
C(1) C(2) C(44) C(3) 24(10) . . . . yes
C(1) C(2) C(44) C(43) 50(12) . . . . yes
C(1) C(2) C(44) C(45) 23(10) . . . . yes
C(1) C(2) Pt(1) C(3) -134(2) . 2_555 2_555 2_555 yes
C(1) C(2) Pt(1) C(43) 11(2) . 2_555 2_555 2_555 yes
C(1) C(2) Pt(1) C(44) -159(3) . 2_555 2_555 2_555 yes
C(1) C(2) Pt(1) C(45) -126(2) . 2_555 2_555 2_555 yes
C(1) C(2) C(3) C(4) -13(3) . 2_555 2_555 2_555 yes
C(1) C(2) C(3) C(44) -168(4) . 2_555 2_555 2_555 yes
C(1) C(2) C(3) C(45) 6(6) . 2_555 2_555 2_555 yes
C(1) C(2) C(43) C(2) 146(5) . 2_555 . . yes
C(1) C(2) C(43) C(43) 17(3) . 2_555 . 2_555 yes
C(1) C(2) C(43) C(44) 153(3) . 2_555 . . yes
C(1) C(2) C(43) C(2) -33(6) . 2_555 2_555 . yes
C(1) C(2) C(43) C(43) -17(5) . 2_555 2_555 . yes
C(1) C(2) C(43) C(44) -90(16) . 2_555 2_555 2_555 yes
C(1) C(2) C(44) C(3) 24(10) . 2_555 2_555 2_555 yes
C(1) C(2) C(44) C(43) 50(12) . 2_555 2_555 2_555 yes
C(1) C(2) C(44) C(45) 23(10) . 2_555 2_555 2_555 yes
C(1) C(43) Pt(1) C(2) -152(5) . . . . yes
C(1) C(43) Pt(1) C(3) -126(4) . . . . yes
C(1) C(43) Pt(1) C(44) -148(4) . . . . yes
C(1) C(43) Pt(1) C(45) -117(4) . . . . yes
C(1) C(43) C(2) C(3) 72(9) . . . . yes
C(1) C(43) C(2) C(43) 17(5) . . . 2_555 yes
C(1) C(43) C(2) C(44) 90(16) . . . . yes
C(1) C(43) C(2) C(3) -160(3) . . 2_555 2_555 yes
C(1) C(43) C(2) C(43) -17(3) . . 2_555 2_555 yes
C(1) C(43) C(2) C(44) -175(5) . . 2_555 2_555 yes
C(1) C(43) C(43) C(2) -149(4) . . 2_555 . yes
C(1) C(43) C(43) C(2) 149(4) . . 2_555 2_555 yes
C(1) C(43) C(43) C(44) 158(2) . . 2_555 2_555 yes
C(1) C(43) C(44) C(2) -101(16) . . . . yes
C(1) C(43) C(44) C(3) 54(6) . . . . yes
C(1) C(43) C(44) C(45) 53(6) . . . . yes
C(1) C(43) Pt(1) C(2) -152(5) . 2_555 2_555 2_555 yes
C(1) C(43) Pt(1) C(3) -126(4) . 2_555 2_555 2_555 yes
C(1) C(43) Pt(1) C(44) -148(4) . 2_555 2_555 2_555 yes
C(1) C(43) Pt(1) C(45) -117(4) . 2_555 2_555 2_555 yes
C(1) C(43) C(2) C(3) -160(3) . 2_555 . . yes
C(1) C(43) C(2) C(43) -17(3) . 2_555 . . yes
C(1) C(43) C(2) C(44) -175(5) . 2_555 . . yes
C(1) C(43) C(2) C(3) 72(9) . 2_555 2_555 2_555 yes
C(1) C(43) C(2) C(43) 17(5) . 2_555 2_555 . yes
C(1) C(43) C(2) C(44) 90(16) . 2_555 2_555 2_555 yes
C(1) C(43) C(43) C(2) 149(4) . 2_555 . . yes
C(1) C(43) C(43) C(2) -149(4) . 2_555 . 2_555 yes
C(1) C(43) C(43) C(44) 158(2) . 2_555 . . yes
C(1) C(43) C(44) C(2) -101(16) . 2_555 2_555 2_555 yes
C(1) C(43) C(44) C(3) 54(6) . 2_555 2_555 2_555 yes
C(1) C(43) C(44) C(45) 53(6) . 2_555 2_555 2_555 yes
C(2) Pt(1) P(1) C(5) 57.9(6) . . . . yes
C(2) Pt(1) P(1) C(11) -59.0(6) . . . . yes
C(2) Pt(1) P(1) C(17) 178.4(6) . . . . yes
C(2) Pt(1) P(2) C(23) -104.2(9) . . . . yes
C(2) Pt(1) P(2) C(29) 131.9(8) . . . . yes
C(2) Pt(1) P(2) C(35) 14.5(9) . . . . yes
C(2) Pt(1) C(3) C(4) 123(1) . . . . yes
C(2) Pt(1) C(3) C(44) -21(1) . . . . yes
C(2) Pt(1) C(3) C(45) 155(2) . . . . yes
C(2) Pt(1) C(43) C(43) -134(2) . . . 2_555 yes
C(2) Pt(1) C(43) C(44) -4(2) . . . . yes
C(2) Pt(1) C(44) C(3) 135(2) . . . . yes
C(2) Pt(1) C(44) C(43) 4(1) . . . . yes
C(2) Pt(1) C(44) C(45) 133(2) . . . . yes
C(2) Pt(1) C(45) C(3) -19(1) . . . . yes
C(2) Pt(1) C(45) C(4) 106(1) . . . . yes
C(2) Pt(1) C(45) C(44) -17.5(10) . . . . yes
C(2) Pt(1) C(45) C(46) 97(1) . . . . yes
C(2) C(1) C(2) C(3) 7(1) . . 2_555 2_555 yes
C(2) C(1) C(2) C(43) -15(2) . . 2_555 . yes
C(2) C(1) C(2) C(43) 131(8) . . 2_555 2_555 yes
C(2) C(1) C(2) C(44) -7(8) . . 2_555 2_555 yes
C(2) C(1) C(43) C(43) 44(7) . . . 2_555 yes
C(2) C(1) C(43) C(44) 13(4) . . . . yes
C(2) C(1) C(43) C(43) -14(2) . . 2_555 . yes
C(2) C(1) C(43) C(44) -45(5) . . 2_555 2_555 yes
C(2) C(3) Pt(1) C(43) -11.5(9) . . . . yes
C(2) C(3) Pt(1) C(44) 21(1) . . . . yes
C(2) C(3) Pt(1) C(45) -155(2) . . . . yes
C(2) C(3) C(4) C(4) 6(2) . . . 2_555 yes
C(2) C(3) C(4) C(45) 163(4) . . . . yes
C(2) C(3) C(4) C(46) 7(2) . . . . yes
C(2) C(3) C(44) C(43) -3(2) . . . . yes
C(2) C(3) C(44) C(45) 42(59) . . . . yes
C(2) C(3) C(45) C(4) -32(8) . . . . yes
C(2) C(3) C(45) C(44) -37(53) . . . . yes
C(2) C(3) C(45) C(46) -24(7) . . . . yes
C(2) C(43) Pt(1) C(3) 26(2) . . . . yes
C(2) C(43) Pt(1) C(44) 4(2) . . . . yes
C(2) C(43) Pt(1) C(45) 35(2) . . . . yes
C(2) C(43) C(1) C(43) -44(7) . . . 2_555 yes
C(2) C(43) C(2) C(3) -14(2) . . 2_555 2_555 yes
C(2) C(43) C(2) C(43) 129(7) . . 2_555 2_555 yes
C(2) C(43) C(2) C(44) -28(4) . . 2_555 2_555 yes
C(2) C(43) C(43) C(2) -61(8) . . 2_555 2_555 yes
C(2) C(43) C(43) C(44) -52(6) . . 2_555 2_555 yes
C(2) C(43) C(44) C(3) 155(15) . . . . yes
C(2) C(43) C(44) C(45) 154(15) . . . . yes
C(2) C(43) Pt(1) C(3) -100(1) . 2_555 2_555 2_555 yes
C(2) C(43) Pt(1) C(44) -122(1) . 2_555 2_555 2_555 yes
C(2) C(43) Pt(1) C(45) -91(1) . 2_555 2_555 2_555 yes
C(2) C(43) C(1) C(43) 14(2) . 2_555 . . yes
C(2) C(43) C(2) C(3) 39(4) . 2_555 2_555 2_555 yes
C(2) C(43) C(2) C(43) -15(1) . 2_555 2_555 . yes
C(2) C(43) C(2) C(44) 57(15) . 2_555 2_555 2_555 yes
C(2) C(43) C(43) C(2) 61(8) . 2_555 . 2_555 yes
C(2) C(43) C(43) C(44) 9(3) . 2_555 . . yes
C(2) C(43) C(44) C(3) 29(3) . 2_555 2_555 2_555 yes
C(2) C(43) C(44) C(45) 27(2) . 2_555 2_555 2_555 yes
C(2) C(44) Pt(1) C(3) -135(2) . . . . yes
C(2) C(44) Pt(1) C(43) -4(1) . . . . yes
C(2) C(44) Pt(1) C(45) -133(2) . . . . yes
C(2) C(44) C(3) C(4) -37(5) . . . . yes
C(2) C(44) C(3) C(45) -42(59) . . . . yes
C(2) C(44) C(43) C(43) -113(15) . . . 2_555 yes
C(2) C(44) C(45) C(3) 138(58) . . . . yes
C(2) C(44) C(45) C(4) -36(4) . . . . yes
C(2) C(44) C(45) C(46) -28(3) . . . . yes
C(3) Pt(1) P(1) C(5) 60.7(7) . . . . yes
C(3) Pt(1) P(1) C(11) -56.2(7) . . . . yes
C(3) Pt(1) P(1) C(17) -178.8(7) . . . . yes
C(3) Pt(1) P(2) C(23) -107.5(4) . . . . yes
C(3) Pt(1) P(2) C(29) 128.6(4) . . . . yes
C(3) Pt(1) P(2) C(35) 11.2(4) . . . . yes
C(3) Pt(1) C(2) C(43) -145(2) . . . . yes
C(3) Pt(1) C(2) C(43) -118(1) . . . 2_555 yes
C(3) Pt(1) C(2) C(44) 25(1) . . . . yes
C(3) Pt(1) C(43) C(43) -108.7(9) . . . 2_555 yes
C(3) Pt(1) C(43) C(44) 21.5(10) . . . . yes
C(3) Pt(1) C(44) C(43) -130(1) . . . . yes
C(3) Pt(1) C(44) C(45) -1(1) . . . . yes
C(3) Pt(1) C(45) C(4) 126(2) . . . . yes
C(3) Pt(1) C(45) C(44) 1(1) . . . . yes
C(3) Pt(1) C(45) C(46) 116(2) . . . . yes
C(3) C(2) Pt(1) C(43) 145(2) . . . . yes
C(3) C(2) Pt(1) C(44) -25(1) . . . . yes
C(3) C(2) Pt(1) C(45) 7.6(7) . . . . yes
C(3) C(2) C(1) C(43) -123(8) . . . . yes
C(3) C(2) C(1) C(43) 23(3) . . . 2_555 yes
C(3) C(2) C(43) C(43) 54(6) . . . 2_555 yes
C(3) C(2) C(43) C(44) -18(12) . . . . yes
C(3) C(2) C(43) C(43) -143(5) . . 2_555 . yes
C(3) C(2) C(43) C(44) -7(2) . . 2_555 2_555 yes
C(3) C(2) C(44) C(43) 26(16) . . . . yes
C(3) C(2) C(44) C(45) -1(1) . . . . yes
C(3) C(4) C(4) C(3) -2(2) . . 2_555 2_555 yes
C(3) C(4) C(4) C(45) -12(3) . . 2_555 2_555 yes
C(3) C(4) C(4) C(46) 178(1) . . 2_555 . yes
C(3) C(4) C(45) C(44) 0(2) . . . . yes
C(3) C(4) C(45) C(46) -33(5) . . . . yes
C(3) C(4) C(46) C(4) -1(1) . . . 2_555 yes
C(3) C(4) C(46) C(45) 12(2) . . . . yes
C(3) C(4) C(46) C(45) -8(2) . . . 2_555 yes
C(3) C(44) Pt(1) C(43) 130(1) . . . . yes
C(3) C(44) Pt(1) C(45) 1(1) . . . . yes
C(3) C(44) C(2) C(43) -26(16) . . . . yes
C(3) C(44) C(2) C(43) 28(6) . . . 2_555 yes
C(3) C(44) C(43) C(43) 42(4) . . . 2_555 yes
C(3) C(44) C(45) C(4) -174(58) . . . . yes
C(3) C(44) C(45) C(46) -167(58) . . . . yes
C(3) C(45) Pt(1) C(43) -31(1) . . . . yes
C(3) C(45) Pt(1) C(44) -1(1) . . . . yes
C(3) C(45) C(4) C(4) 29(5) . . . 2_555 yes
C(3) C(45) C(4) C(46) 33(5) . . . . yes
C(3) C(45) C(44) C(43) 135(58) . . . . yes
C(3) C(45) C(46) C(4) -151(5) . . . . yes
C(3) C(45) C(46) C(4) 20(3) . . . 2_555 yes
C(3) C(45) C(46) C(45) 12(2) . . . 2_555 yes
C(4) C(3) Pt(1) C(43) 112.0(9) . . . . yes
C(4) C(3) Pt(1) C(44) 145(1) . . . . yes
C(4) C(3) Pt(1) C(45) -31(1) . . . . yes
C(4) C(3) C(2) C(43) -34(4) . . . . yes
C(4) C(3) C(2) C(43) -6(2) . . . 2_555 yes
C(4) C(3) C(2) C(44) 154(3) . . . . yes
C(4) C(3) C(44) C(43) -40(4) . . . . yes
C(4) C(3) C(44) C(45) 4(55) . . . . yes
C(4) C(3) C(45) C(44) -5(60) . . . . yes
C(4) C(3) C(45) C(46) 7(1) . . . . yes
C(4) C(4) C(3) C(44) 23(3) . 2_555 2_555 2_555 yes
C(4) C(4) C(3) C(45) -157(4) . 2_555 2_555 2_555 yes
C(4) C(4) C(45) C(44) 29(3) . 2_555 2_555 2_555 yes
C(4) C(4) C(45) C(46) -3(1) . 2_555 2_555 . yes
C(4) C(4) C(46) C(45) -6(1) . 2_555 . . yes
C(4) C(4) C(46) C(45) 13(3) . 2_555 . 2_555 yes
C(4) C(45) Pt(1) C(43) 94(1) . . . . yes
C(4) C(45) Pt(1) C(44) 124(1) . . . . yes
C(4) C(45) C(3) C(44) 5(60) . . . . yes
C(4) C(45) C(44) C(43) -39(3) . . . . yes
C(4) C(45) C(46) C(45) 164(3) . . . 2_555 yes
C(4) C(46) C(4) C(45) -13(3) . . 2_555 2_555 yes
C(4) C(46) C(45) C(44) -151(3) . . . . yes
C(4) C(46) C(45) C(44) 20(2) . . 2_555 2_555 yes
C(5) P(1) Pt(1) C(43) 66.5(4) . . . . yes
C(5) P(1) Pt(1) C(44) 48.3(6) . . . . yes
C(5) P(1) Pt(1) C(45) 82(1) . . . . yes
C(5) P(1) C(11) C(12) 3.2(7) . . . . yes
C(5) P(1) C(11) C(16) -172.0(5) . . . . yes
C(5) P(1) C(17) C(18) -140.3(5) . . . . yes
C(5) P(1) C(17) C(22) 44.9(5) . . . . yes
C(5) C(6) C(7) C(8) -1.2(10) . . . . yes
C(5) C(10) C(9) C(8) 1.3(9) . . . . yes
C(6) C(5) P(1) C(11) 116.1(5) . . . . yes
C(6) C(5) P(1) C(17) -134.8(5) . . . . yes
C(6) C(5) C(10) C(9) -3.2(8) . . . . yes
C(6) C(7) C(8) C(9) 0(1) . . . . yes
C(7) C(6) C(5) C(10) 3.1(9) . . . . yes
C(7) C(8) C(9) C(10) 0.6(10) . . . . yes
C(10) C(5) P(1) C(11) -62.6(5) . . . . yes
C(10) C(5) P(1) C(17) 46.5(5) . . . . yes
C(11) P(1) Pt(1) C(43) -50.4(5) . . . . yes
C(11) P(1) Pt(1) C(44) -68.7(6) . . . . yes
C(11) P(1) Pt(1) C(45) -34(1) . . . . yes
C(11) P(1) C(17) C(18) -31.3(6) . . . . yes
C(11) P(1) C(17) C(22) 153.8(5) . . . . yes
C(11) C(12) C(13) C(14) 1(1) . . . . yes
C(11) C(16) C(15) C(14) 0(1) . . . . yes
C(12) C(11) P(1) C(17) -103.8(7) . . . . yes
C(12) C(11) C(16) C(15) 3(1) . . . . yes
C(12) C(13) C(14) C(15) 1(1) . . . . yes
C(13) C(12) C(11) C(16) -3(1) . . . . yes
C(13) C(14) C(15) C(16) -1(1) . . . . yes
C(16) C(11) P(1) C(17) 81.0(6) . . . . yes
C(17) P(1) Pt(1) C(43) -173.0(4) . . . . yes
C(17) P(1) Pt(1) C(44) 168.7(6) . . . . yes
C(17) P(1) Pt(1) C(45) -157(1) . . . . yes
C(17) C(18) C(19) C(20) 1(1) . . . . yes
C(17) C(22) C(21) C(20) 1(1) . . . . yes
C(18) C(17) C(22) C(21) -0.5(10) . . . . yes
C(18) C(19) C(20) C(21) 0(1) . . . . yes
C(19) C(18) C(17) C(22) -0.7(9) . . . . yes
C(19) C(20) C(21) C(22) 0(1) . . . . yes
C(23) P(2) Pt(1) C(43) -124(1) . . . . yes
C(23) P(2) Pt(1) C(44) -96.0(6) . . . . yes
C(23) P(2) Pt(1) C(45) -114.2(5) . . . . yes
C(23) P(2) C(29) C(30) -172.8(5) . . . . yes
C(23) P(2) C(29) C(34) 8.5(6) . . . . yes
C(23) P(2) C(35) C(36) 53.1(5) . . . . yes
C(23) P(2) C(35) C(40) -134.7(5) . . . . yes
C(23) C(24) C(25) C(26) 0(1) . . . . yes
C(23) C(28) C(27) C(26) -4(1) . . . . yes
C(24) C(23) P(2) C(29) -66.5(6) . . . . yes
C(24) C(23) P(2) C(35) 41.9(6) . . . . yes
C(24) C(23) C(28) C(27) 5(1) . . . . yes
C(24) C(25) C(26) C(27) 2(1) . . . . yes
C(25) C(24) C(23) C(28) -3(1) . . . . yes
C(25) C(26) C(27) C(28) 0(1) . . . . yes
C(28) C(23) P(2) C(29) 113.4(6) . . . . yes
C(28) C(23) P(2) C(35) -138.2(6) . . . . yes
C(29) P(2) Pt(1) C(43) 111(1) . . . . yes
C(29) P(2) Pt(1) C(44) 140.1(6) . . . . yes
C(29) P(2) Pt(1) C(45) 121.9(4) . . . . yes
C(29) P(2) C(35) C(36) 163.7(5) . . . . yes
C(29) P(2) C(35) C(40) -24.1(6) . . . . yes
C(29) C(30) C(31) C(32) 0(1) . . . . yes
C(29) C(34) C(33) C(32) 0(1) . . . . yes
C(30) C(29) P(2) C(35) 79.5(5) . . . . yes
C(30) C(29) C(34) C(33) -0.6(10) . . . . yes
C(30) C(31) C(32) C(33) 0(1) . . . . yes
C(31) C(30) C(29) C(34) 0.6(10) . . . . yes
C(31) C(32) C(33) C(34) 0(1) . . . . yes
C(34) C(29) P(2) C(35) -99.2(6) . . . . yes
C(35) P(2) Pt(1) C(43) -5(1) . . . . yes
C(35) P(2) Pt(1) C(44) 22.7(6) . . . . yes
C(35) P(2) Pt(1) C(45) 4.6(5) . . . . yes
C(35) C(36) C(37) C(38) 0(1) . . . . yes
C(35) C(40) C(39) C(38) 1(1) . . . . yes
C(36) C(35) C(40) C(39) 1.5(9) . . . . yes
C(36) C(37) C(38) C(39) 2(1) . . . . yes
C(37) C(36) C(35) C(40) -2.3(10) . . . . yes
C(37) C(38) C(39) C(40) -3(1) . . . . yes
C(41) N(1) N(1) C(42) 3(1) . . 2_656 2_656 yes
C(41) N(1) N(1) C(42) 3(1) . 2_656 . . yes
C(42) N(1) N(1) C(42) 7(2) . . 2_656 2_656 yes
C(43) Pt(1) C(2) C(44) 171(3) . . . . yes
C(43) Pt(1) C(3) C(44) -33(1) . . . . yes
C(43) Pt(1) C(3) C(45) 143(1) . . . . yes
C(43) Pt(1) C(44) C(45) 129(1) . . . . yes
C(43) Pt(1) C(45) C(44) -29.4(9) . . . . yes
C(43) Pt(1) C(45) C(46) 85(1) . . . . yes
C(43) C(1) C(2) C(44) -138(13) . . . . yes
C(43) C(1) C(2) C(44) 8(9) . . 2_555 2_555 yes
C(43) C(1) C(43) C(44) -31(4) . . 2_555 2_555 yes
C(43) C(2) Pt(1) C(44) -171(3) . . . . yes
C(43) C(2) Pt(1) C(45) -138(2) . . . . yes
C(43) C(2) C(3) C(44) 170(6) . . . . yes
C(43) C(2) C(3) C(45) -14(7) . . . . yes
C(43) C(2) C(43) C(2) 129(7) . . 2_555 2_555 yes
C(43) C(2) C(43) C(44) 136(5) . . 2_555 2_555 yes
C(43) C(2) C(44) C(45) -27(16) . . . . yes
C(43) C(2) Pt(1) C(44) -144(2) . 2_555 2_555 2_555 yes
C(43) C(2) Pt(1) C(45) -111(1) . 2_555 2_555 2_555 yes
C(43) C(2) C(3) C(44) -161(4) . 2_555 2_555 2_555 yes
C(43) C(2) C(3) C(45) 13(6) . 2_555 2_555 2_555 yes
C(43) C(2) C(43) C(2) -15(1) . 2_555 2_555 . yes
C(43) C(2) C(43) C(44) -73(16) . 2_555 2_555 2_555 yes
C(43) C(2) C(44) C(45) 27(6) . 2_555 2_555 2_555 yes
C(43) C(43) Pt(1) C(44) -130(1) . 2_555 2_555 2_555 yes
C(43) C(43) Pt(1) C(45) -99.3(9) . 2_555 2_555 2_555 yes
C(43) C(43) C(2) C(44) -157(7) . 2_555 . . yes
C(43) C(43) C(2) C(44) 73(16) . 2_555 2_555 2_555 yes
C(43) C(43) C(44) C(45) 41(3) . 2_555 2_555 2_555 yes
C(43) C(44) Pt(1) C(45) -129(1) . . . . yes
C(43) C(44) C(3) C(45) -45(58) . . . . yes
C(43) C(44) C(45) C(46) -31(2) . . . . yes
C(44) Pt(1) C(3) C(45) 177(2) . . . . yes
C(44) Pt(1) C(45) C(46) 115(1) . . . . yes
C(44) C(2) Pt(1) C(45) 33(1) . . . . yes
C(44) C(2) C(3) C(45) 175(7) . . . . yes
C(44) C(3) Pt(1) C(45) -177(2) . . . . yes
C(44) C(3) C(4) C(45) -179(5) . . . . yes
C(44) C(3) C(4) C(46) 23(4) . . . . yes
C(44) C(3) C(45) C(46) 13(59) . . . . yes
C(44) C(43) Pt(1) C(45) 30(1) . . . . yes
C(44) C(43) C(43) C(44) -42(5) . . 2_555 2_555 yes
C(44) C(45) C(4) C(46) 33(4) . . . . yes
C(44) C(45) C(46) C(45) 13(1) . . . 2_555 yes
C(45) C(3) C(4) C(46) -156(4) . . . . yes
C(45) C(4) C(4) C(45) -21(4) . . 2_555 2_555 yes
C(45) C(4) C(4) C(46) 169(2) . . 2_555 . yes
C(45) C(4) C(4) C(46) 169(2) . . 2_555 . yes
#------------------------------------------------------------------------------
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
F(1) F(3) 2.95(1) . 3_566 ?
F(1) C(26) 3.52(1) . 7_556 ?
F(1) C(38) 3.57(1) . 1_565 ?
F(2) C(42) 2.69(2) . 6_556 ?
F(2) C(9) 2.98(1) . 4_565 ?
F(2) C(10) 3.07(1) . 4_565 ?
F(2) C(26) 3.29(1) . 7_556 ?
F(2) N(1) 3.40(3) . 6_556 ?
F(2) C(12) 3.45(1) . 4_565 ?
F(3) N(1) 3.32(3) . 6_556 ?
F(3) C(41) 3.47(2) . 5_455 ?
F(4) C(40) 3.55(1) . 4_555 ?
N(1) C(12) 3.02(3) . 7_556 ?
N(1) C(13) 3.45(3) . 7_556 ?
C(15) C(45) 3.57(2) . 4_554 ?
C(21) C(40) 3.599(9) . 6_555 ?
C(26) B(1) 3.55(2) . 7_556 ?
C(39) C(42) 3.40(2) . 7_546 ?
C(42) B(1) 3.02(3) . 6_546 ?
#------------------------------------------------------------------------------

# Attachment '- 2-PPh3 PtTr(PPh3)2.cif'
#------------------------------------------------------------------------------
data_usui2
_database_code_depnum_ccdc_archive 'CCDC 773673'
#TrackingRef '- 2-PPh3 PtTr(PPh3)2.cif'

_audit_creation_date             'Tue Mar 9 23:35:18 2010'
_audit_creation_method           'by teXsan'
_audit_update_record             ?

#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C49 H43 B F4 P2 Pt '
_chemical_formula_moiety         'C49 H43 B F4 P2 Pt '
_chemical_formula_weight         975.72
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
-x,-y,-z
1/2+x,1/2-y,z
_cell_length_a                   13.742(1)
_cell_length_b                   20.974(2)
_cell_length_c                   14.377(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.419(3)
_cell_angle_gamma                90
_cell_volume                     4088.2(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    15382
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    173.2
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    3.550
_exptl_absorpt_correction_type   none
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            40033
_diffrn_reflns_av_R_equivalents  0.089
_diffrn_reflns_theta_min         ?
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > -10.0 sigma(F^2^). The weighted
R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are
based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             9335
_reflns_number_gt                6062
_reflns_threshold_expression     >2.0sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0767
_refine_ls_wR_factor_ref         0.2191
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         6062
_refine_ls_number_parameters     455
_refine_ls_goodness_of_fit_ref   1.288
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_shift/su_max          11.0350
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_diff_density_max         2.43
_refine_diff_density_min         -1.73
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.23623(2) 0.04284(2) 0.33151(2) 0.0548(2) Uani 1.00 d . . .
P(1) P 0.3250(2) 0.0695(1) 0.2162(2) 0.0539(6) Uani 1.00 d . . .
P(2) P 0.0749(2) 0.0665(1) 0.2695(2) 0.0463(5) Uani 1.00 d . . .
F(1) F 0.610(4) 0.209(2) 0.646(3) 0.3926(3) Uiso 0.50 d P . .
F(2) F 0.6732(9) 0.2351(5) 0.6609(8) 0.06988(4) Uiso 0.50 d P . .
F(3) F 0.733(2) 0.1394(9) 0.708(1) 0.13159(8) Uiso 0.50 d P . .
F(4) F 0.778(2) 0.151(1) 0.641(2) 0.13907(9) Uiso 0.50 d P . .
F(5) F 0.765(2) 0.189(1) 0.589(2) 0.1780(1) Uiso 0.50 d P . .
F(6) F 0.614(1) 0.1491(8) 0.567(1) 0.10159(6) Uiso 0.50 d P . .
F(7) F 0.689(3) 0.171(2) 0.529(3) 0.2545(2) Uiso 0.50 d P . .
F(8) F 0.373(2) -0.114(1) 0.337(2) 0.2272(1) Uiso 0.50 d P . .
C(1) C 0.3674(7) 0.0193(7) 0.4396(7) 0.081(3) Uani 1.00 d . . .
C(2) C 0.2815(7) -0.0114(7) 0.4574(7) 0.074(3) Uani 1.00 d . . .
C(3) C 0.1961(7) 0.0233(6) 0.4730(7) 0.065(3) Uani 1.00 d . . .
C(4) C 0.1953(8) 0.0806(7) 0.5284(8) 0.084(4) Uani 1.00 d . . .
C(5) C 0.272(1) 0.1209(8) 0.5545(9) 0.112(5) Uani 1.00 d . . .
C(6) C 0.371(1) 0.1189(7) 0.5329(9) 0.095(4) Uani 1.00 d . . .
C(7) C 0.4099(9) 0.0796(8) 0.4810(8) 0.089(4) Uani 1.00 d . . .
C(8) C 0.0249(7) 0.1173(5) 0.3509(6) 0.058(2) Uani 1.00 d . . .
C(9) C 0.0714(8) 0.1756(6) 0.3753(8) 0.077(3) Uani 1.00 d . . .
C(10) C 0.038(1) 0.2166(6) 0.4378(9) 0.092(4) Uani 1.00 d . . .
C(11) C -0.042(1) 0.1970(7) 0.4829(9) 0.103(4) Uani 1.00 d . . .
C(12) C -0.0891(9) 0.1411(6) 0.4571(8) 0.072(3) Uani 1.00 d . . .
C(13) C -0.0573(7) 0.1013(5) 0.3935(7) 0.061(3) Uani 1.00 d . . .
C(14) C 0.0416(6) 0.1044(4) 0.1567(6) 0.049(2) Uani 1.00 d . . .
C(15) C 0.0046(8) 0.1666(5) 0.1443(8) 0.064(3) Uani 1.00 d . . .
C(16) C -0.0216(8) 0.1923(5) 0.0535(9) 0.072(3) Uani 1.00 d . . .
C(17) C -0.0090(8) 0.1593(6) -0.0235(8) 0.068(3) Uani 1.00 d . . .
C(18) C 0.0258(7) 0.0978(5) -0.0144(6) 0.057(2) Uani 1.00 d . . .
C(19) C 0.0520(6) 0.0707(5) 0.0744(7) 0.048(2) Uani 1.00 d . . .
C(20) C -0.0015(6) -0.0052(4) 0.2568(6) 0.045(2) Uani 1.00 d . . .
C(21) C -0.0996(7) -0.0034(5) 0.2194(6) 0.052(2) Uani 1.00 d . . .
C(22) C -0.1573(7) -0.0587(6) 0.2130(7) 0.064(3) Uani 1.00 d . . .
C(23) C -0.1163(8) -0.1147(6) 0.2438(7) 0.068(3) Uani 1.00 d . . .
C(24) C -0.0152(8) -0.1190(5) 0.2810(7) 0.064(3) Uani 1.00 d . . .
C(25) C 0.0414(7) -0.0645(5) 0.2868(6) 0.057(2) Uani 1.00 d . . .
C(26) C 0.3136(6) 0.0179(4) 0.1128(6) 0.042(2) Uani 1.00 d . . .
C(27) C 0.2550(7) -0.0343(4) 0.1039(7) 0.050(2) Uani 1.00 d . . .
C(28) C 0.2506(8) -0.0716(5) 0.0214(8) 0.067(3) Uani 1.00 d . . .
C(29) C 0.3036(9) -0.0563(6) -0.0460(9) 0.077(3) Uani 1.00 d . . .
C(30) C 0.3647(8) -0.0043(6) -0.0364(7) 0.072(3) Uani 1.00 d . . .
C(31) C 0.3706(7) 0.0335(5) 0.0430(6) 0.052(2) Uani 1.00 d . . .
C(33) C 0.498(2) -0.008(1) 0.266(1) 0.05236(7) Uiso 0.50 d P . .
C(34) C 0.602(1) -0.0142(10) 0.292(1) 0.03840(5) Uiso 0.50 d P . .
C(35) C 0.661(2) 0.0489(10) 0.316(1) 0.05230(6) Uiso 0.50 d P . .
C(36) C 0.6360(10) 0.0990(8) 0.3113(9) 0.08845(5) Uiso 1.00 d . . .
C(37) C 0.525(1) 0.1122(8) 0.281(1) 0.03311(4) Uiso 0.50 d P . .
C(38) C 0.503(2) 0.023(1) 0.264(1) 0.04767(6) Uiso 0.50 d P . .
C(40) C 0.605(2) 0.143(1) 0.302(2) 0.08160(9) Uiso 0.50 d P . .
C(41) C 0.499(2) 0.145(1) 0.261(2) 0.06594(7) Uiso 0.50 d P . .
C(42) C 0.305(1) 0.1465(7) 0.193(1) 0.02953(4) Uiso 0.50 d P . .
C(43) C 0.317(1) 0.1921(8) 0.266(1) 0.04075(5) Uiso 0.50 d P . .
C(44) C 0.295(1) 0.2550(10) 0.247(1) 0.05642(6) Uiso 0.50 d P . .
C(45) C 0.254(1) 0.2706(8) 0.169(1) 0.10957(6) Uiso 1.00 d . . .
C(46) C 0.242(2) 0.230(1) 0.082(2) 0.06191(7) Uiso 0.50 d P . .
C(47) C 0.264(1) 0.1683(8) 0.101(2) 0.03609(5) Uiso 0.50 d P . .
C(48) C 0.280(1) 0.154(1) 0.151(2) 0.04832(6) Uiso 0.50 d P . .
C(49) C 0.275(2) 0.206(2) 0.220(2) 0.1017(1) Uiso 0.50 d P . .
C(51) C 0.223(3) 0.269(2) 0.097(3) 0.1418(2) Uiso 0.50 d P . .
C(52) C 0.212(2) 0.227(2) 0.014(2) 0.1107(1) Uiso 0.50 d P . .
C(53) C 0.253(2) 0.159(1) 0.058(2) 0.07213(9) Uiso 0.50 d P . .
C(54) C 0.493(1) 0.2038(9) 0.760(1) 0.13589(8) Uiso 1.00 d . . .
C(55) C 0.536(1) 0.1729(10) 0.825(1) 0.14364(8) Uiso 1.00 d . . .
C(56) C 0.506(1) 0.1479(7) 0.903(1) 0.08331(5) Uiso 1.00 d . . .
C(57) C 0.8958(8) 0.2759(5) 0.7561(8) 0.06505(3) Uiso 1.00 d . . .
C(58) C 0.855(1) 0.2921(8) 0.816(1) 0.11656(6) Uiso 1.00 d . . .
C(59) C 0.903(2) 0.335(1) 0.887(2) 0.1811(1) Uiso 1.00 d . . .
C(60) C 0.464(1) 0.0571(9) 0.259(1) 0.02709(4) Uiso 0.50 d P . .
C(61) C 0.615(2) 0.023(1) 0.298(2) 0.06799(7) Uiso 0.50 d P . .
C(62) C 0.452(1) 0.084(1) 0.244(1) 0.04471(6) Uiso 0.50 d P . .
B(4) B 0.312(1) -0.1707(7) 0.368(1) 0.11091(4) Uiso 1.00 d . . .
H(1) H 0.1294 0.1875 0.3491 0.0882 Uiso 1.00 calc . . .
H(2) H 0.0701 0.2567 0.4561 0.1098 Uiso 1.00 calc . . .
H(3) H -0.0644 0.2266 0.5265 0.1038 Uiso 1.00 calc . . .
H(4) H -0.1441 0.1308 0.4883 0.0872 Uiso 1.00 calc . . .
H(5) H -0.0926 0.0610 0.3769 0.0740 Uiso 1.00 calc . . .
H(6) H -0.0052 0.1909 0.1984 0.0778 Uiso 1.00 calc . . .
H(7) H -0.0483 0.2344 0.0507 0.0897 Uiso 1.00 calc . . .
H(8) H -0.0272 0.1778 -0.0859 0.0824 Uiso 1.00 calc . . .
H(9) H 0.0350 0.0754 -0.0691 0.0679 Uiso 1.00 calc . . .
H(10) H 0.0778 0.0284 0.0800 0.0612 Uiso 1.00 calc . . .
H(11) H -0.1307 0.0364 0.1968 0.0681 Uiso 1.00 calc . . .
H(12) H -0.2259 -0.0582 0.1884 0.0747 Uiso 1.00 calc . . .
H(13) H -0.1576 -0.1521 0.2390 0.0791 Uiso 1.00 calc . . .
H(14) H 0.0141 -0.1606 0.3002 0.0825 Uiso 1.00 calc . . .
H(15) H 0.1100 -0.0660 0.3124 0.0651 Uiso 1.00 calc . . .
H(16) H 0.2167 -0.0452 0.1517 0.0585 Uiso 1.00 calc . . .
H(17) H 0.2097 -0.1086 0.0148 0.0788 Uiso 1.00 calc . . .
H(18) H 0.2973 -0.0813 -0.1022 0.0929 Uiso 1.00 calc . . .
H(19) H 0.4034 0.0071 -0.0833 0.0816 Uiso 1.00 calc . . .
H(20) H 0.4135 0.0697 0.0511 0.0605 Uiso 1.00 calc . . .
H(21) H 0.1320 0.0929 0.5472 0.0943 Uiso 1.00 calc . . .
H(22) H 0.2527 0.1585 0.5923 0.1322 Uiso 1.00 calc . . .
H(23) H 0.4124 0.1532 0.5590 0.1186 Uiso 1.00 calc . . .
H(24) H 0.4754 0.0868 0.4681 0.1091 Uiso 1.00 calc . . .
H(25) H 0.4012 -0.0028 0.3928 0.0891 Uiso 1.00 calc . . .
H(26) H 0.2822 -0.0579 0.4609 0.0913 Uiso 1.00 calc . . .
H(27) H 0.1337 0.0070 0.4424 0.0776 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.0317(2) 0.0906(4) 0.0437(2) -0.0129(2) 0.0106(2) -0.0220(2)
P(1) 0.034(1) 0.077(2) 0.054(1) -0.014(1) 0.017(1) -0.027(1)
P(2) 0.035(1) 0.062(1) 0.044(1) -0.009(1) 0.0132(10) -0.013(1)
C(1) 0.040(5) 0.15(1) 0.047(6) -0.004(7) -0.002(5) -0.008(7)
C(2) 0.040(5) 0.141(10) 0.043(5) 0.004(6) 0.015(4) -0.013(6)
C(3) 0.042(5) 0.108(8) 0.043(5) -0.009(6) 0.002(4) -0.009(5)
C(4) 0.055(6) 0.15(1) 0.047(6) 0.019(7) 0.001(5) -0.033(7)
C(5) 0.12(1) 0.16(1) 0.055(7) 0.00(1) 0.011(7) -0.052(8)
C(6) 0.081(9) 0.13(1) 0.072(8) -0.033(8) 0.006(7) -0.034(8)
C(7) 0.059(7) 0.15(1) 0.053(7) -0.036(8) -0.002(6) -0.024(8)
C(8) 0.046(5) 0.085(7) 0.048(5) -0.009(5) 0.020(4) -0.020(5)
C(9) 0.071(7) 0.091(8) 0.077(7) -0.020(6) 0.034(6) -0.040(6)
C(10) 0.11(1) 0.097(9) 0.082(8) -0.019(8) 0.036(8) -0.044(7)
C(11) 0.15(1) 0.098(10) 0.072(8) 0.053(9) 0.056(8) -0.007(7)
C(12) 0.091(8) 0.071(8) 0.068(7) 0.014(6) 0.050(6) -0.003(6)
C(13) 0.050(5) 0.084(7) 0.052(5) 0.004(5) 0.016(4) 0.002(5)
C(14) 0.041(4) 0.052(5) 0.060(5) 0.002(4) 0.027(4) -0.010(4)
C(15) 0.064(6) 0.065(7) 0.070(7) 0.004(5) 0.029(5) -0.013(5)
C(16) 0.066(7) 0.066(7) 0.092(9) 0.020(6) 0.035(6) 0.004(6)
C(17) 0.068(7) 0.077(8) 0.062(7) 0.013(6) 0.017(5) 0.021(6)
C(18) 0.059(6) 0.072(6) 0.043(5) 0.000(5) 0.017(4) 0.003(5)
C(19) 0.034(4) 0.049(5) 0.064(6) 0.001(4) 0.020(4) -0.010(5)
C(20) 0.034(4) 0.064(6) 0.037(4) -0.010(4) 0.008(3) -0.001(4)
C(21) 0.044(5) 0.070(6) 0.042(5) -0.007(5) 0.007(4) -0.009(4)
C(22) 0.039(5) 0.105(9) 0.049(5) -0.020(6) 0.009(4) -0.011(5)
C(23) 0.062(6) 0.091(8) 0.054(6) -0.032(6) 0.022(5) -0.009(6)
C(24) 0.075(7) 0.072(7) 0.045(5) -0.016(6) 0.011(5) -0.004(5)
C(25) 0.047(5) 0.082(7) 0.040(5) -0.021(5) 0.002(4) -0.008(5)
C(26) 0.037(4) 0.048(5) 0.038(4) 0.006(4) -0.001(3) -0.006(4)
C(27) 0.035(4) 0.055(6) 0.062(6) 0.004(4) 0.015(4) 0.003(4)
C(28) 0.060(6) 0.054(6) 0.087(8) -0.017(5) 0.014(6) -0.033(6)
C(29) 0.061(7) 0.098(9) 0.073(8) -0.013(6) 0.013(6) -0.041(7)
C(30) 0.059(6) 0.112(9) 0.045(5) 0.003(6) 0.005(5) -0.018(6)
C(31) 0.046(5) 0.072(7) 0.037(5) -0.001(4) 0.008(4) -0.005(4)
#------------------------------------------------------------------------------
_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_computing_structure_refinement  SHELXL97
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) P(1) 2.283(3) . . yes
Pt(1) P(2) 2.305(2) . . yes
Pt(1) C(1) 2.235(10) . . yes
Pt(1) C(2) 2.14(1) . . yes
Pt(1) C(3) 2.23(1) . . yes
P(1) C(26) 1.827(9) . . yes
P(1) C(42) 1.66(1) . . yes
P(1) C(48) 2.06(2) . . yes
P(1) C(60) 1.93(2) . . yes
P(1) C(62) 1.76(2) . . yes
P(2) C(8) 1.80(1) . . yes
P(2) C(14) 1.797(9) . . yes
P(2) C(20) 1.825(9) . . yes
F(1) F(2) 1.02(5) . . yes
F(1) F(6) 1.71(5) . . yes
F(1) B(4) 1.39(6) . 3_656 yes
F(2) B(4) 1.44(2) . 3_656 yes
F(3) F(4) 1.26(4) . . yes
F(3) F(8) 1.58(4) . 3_656 yes
F(3) B(4) 1.34(2) . 3_656 yes
F(4) F(5) 1.09(4) . . yes
F(4) B(4) 1.29(3) . 3_656 yes
F(5) F(7) 1.29(5) . . yes
F(5) B(4) 1.37(4) . 3_656 yes
F(6) F(7) 1.33(5) . . yes
F(6) F(8) 1.55(3) . 3_656 yes
F(6) B(4) 1.35(2) . 3_656 yes
F(7) B(4) 1.49(4) . 3_656 yes
F(8) B(4) 1.56(4) . . yes
C(1) C(2) 1.40(2) . . yes
C(1) C(7) 1.48(2) . . yes
C(2) C(3) 1.43(2) . . yes
C(3) C(4) 1.44(2) . . yes
C(4) C(5) 1.36(2) . . yes
C(5) C(6) 1.44(2) . . yes
C(6) C(7) 1.29(2) . . yes
C(8) C(9) 1.40(2) . . yes
C(8) C(13) 1.41(1) . . yes
C(9) C(10) 1.37(2) . . yes
C(10) C(11) 1.43(2) . . yes
C(11) C(12) 1.36(2) . . yes
C(12) C(13) 1.36(2) . . yes
C(14) C(15) 1.40(1) . . yes
C(14) C(19) 1.40(1) . . yes
C(15) C(16) 1.40(2) . . yes
C(16) C(17) 1.34(2) . . yes
C(17) C(18) 1.38(2) . . yes
C(18) C(19) 1.39(1) . . yes
C(20) C(21) 1.37(1) . . yes
C(20) C(25) 1.41(1) . . yes
C(21) C(22) 1.40(2) . . yes
C(22) C(23) 1.35(2) . . yes
C(23) C(24) 1.41(1) . . yes
C(24) C(25) 1.38(1) . . yes
C(26) C(27) 1.35(1) . . yes
C(26) C(31) 1.41(1) . . yes
C(27) C(28) 1.41(2) . . yes
C(28) C(29) 1.34(2) . . yes
C(29) C(30) 1.37(2) . . yes
C(30) C(31) 1.38(1) . . yes
C(33) C(34) 1.43(3) . . yes
C(33) C(38) 0.65(4) . . yes
C(33) C(60) 1.43(3) . . yes
C(33) C(61) 1.73(3) . . yes
C(34) C(35) 1.56(3) . . yes
C(34) C(38) 1.56(3) . . yes
C(34) C(61) 0.81(3) . . yes
C(35) C(36) 1.10(3) . . yes
C(35) C(61) 0.84(3) . . yes
C(36) C(37) 1.54(2) . . yes
C(36) C(40) 1.01(3) . . yes
C(36) C(61) 1.62(3) . . yes
C(37) C(40) 1.27(3) . . yes
C(37) C(41) 0.81(3) . . yes
C(37) C(60) 1.43(2) . . yes
C(37) C(62) 1.21(2) . . yes
C(38) C(60) 0.89(3) . . yes
C(38) C(61) 1.54(3) . . yes
C(38) C(62) 1.46(3) . . yes
C(40) C(41) 1.49(3) . . yes
C(41) C(62) 1.44(3) . . yes
C(42) C(43) 1.41(2) . . yes
C(42) C(47) 1.43(3) . . yes
C(42) C(48) 0.67(3) . . yes
C(42) C(49) 1.39(4) . . yes
C(43) C(44) 1.37(3) . . yes
C(43) C(48) 1.83(3) . . yes
C(43) C(49) 0.86(3) . . yes
C(44) C(45) 1.21(2) . . yes
C(44) C(49) 1.11(4) . . yes
C(45) C(46) 1.51(3) . . yes
C(45) C(49) 1.54(4) . . yes
C(45) C(51) 1.06(5) . . yes
C(46) C(47) 1.34(3) . . yes
C(46) C(51) 0.91(5) . . yes
C(46) C(52) 1.00(4) . . yes
C(46) C(53) 1.53(4) . . yes
C(47) C(48) 0.77(3) . . yes
C(47) C(52) 1.81(4) . . yes
C(47) C(53) 0.64(4) . . yes
C(48) C(49) 1.49(4) . . yes
C(48) C(53) 1.33(4) . . yes
C(51) C(52) 1.48(6) . . yes
C(52) C(53) 1.62(4) . . yes
C(54) C(55) 1.21(3) . . yes
C(54) C(57) 1.39(2) . 4_455 yes
C(55) C(56) 1.36(3) . . yes
C(56) C(59) 1.44(3) . 4_455 yes
C(57) C(58) 1.16(2) . . yes
C(58) C(59) 1.44(3) . . yes
C(60) C(62) 0.62(3) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(1) Pt(1) P(2) 105.15(8) . . . yes
P(1) Pt(1) C(1) 95.3(3) . . . yes
P(1) Pt(1) C(2) 128.9(3) . . . yes
P(1) Pt(1) C(3) 161.5(2) . . . yes
P(2) Pt(1) C(1) 158.8(3) . . . yes
P(2) Pt(1) C(2) 124.7(3) . . . yes
P(2) Pt(1) C(3) 91.5(3) . . . yes
C(1) Pt(1) C(2) 37.4(4) . . . yes
C(1) Pt(1) C(3) 67.5(4) . . . yes
C(2) Pt(1) C(3) 38.1(4) . . . yes
Pt(1) P(1) C(26) 117.5(3) . . . yes
Pt(1) P(1) C(42) 106.9(6) . . . yes
Pt(1) P(1) C(48) 112.9(7) . . . yes
Pt(1) P(1) C(60) 110.8(5) . . . yes
Pt(1) P(1) C(62) 120.5(6) . . . yes
C(26) P(1) C(42) 115.2(6) . . . yes
C(26) P(1) C(48) 99.3(8) . . . yes
C(26) P(1) C(60) 97.4(6) . . . yes
C(26) P(1) C(62) 103.7(7) . . . yes
C(42) P(1) C(48) 16.7(8) . . . yes
C(42) P(1) C(60) 108.6(8) . . . yes
C(42) P(1) C(62) 90.3(9) . . . yes
C(48) P(1) C(60) 117.9(8) . . . yes
C(48) P(1) C(62) 99.5(9) . . . yes
C(60) P(1) C(62) 18.5(9) . . . yes
Pt(1) P(2) C(8) 108.7(3) . . . yes
Pt(1) P(2) C(14) 122.0(3) . . . yes
Pt(1) P(2) C(20) 111.3(3) . . . yes
C(8) P(2) C(14) 104.9(4) . . . yes
C(8) P(2) C(20) 106.2(4) . . . yes
C(14) P(2) C(20) 102.5(4) . . . yes
F(2) F(1) F(6) 114(4) . . . yes
F(2) F(1) B(4) 71(3) . . 3_656 yes
F(6) F(1) B(4) 50(1) . . 3_656 yes
F(1) F(2) B(4) 66(3) . . 3_656 yes
F(4) F(3) F(8) 106(2) . . 3_656 yes
F(4) F(3) B(4) 59(1) . . 3_656 yes
F(8) F(3) B(4) 63(1) 3_656 . 3_656 yes
F(3) F(4) F(5) 128(2) . . . yes
F(3) F(4) B(4) 62(1) . . 3_656 yes
F(5) F(4) B(4) 69(2) . . 3_656 yes
F(4) F(5) F(7) 105(2) . . . yes
F(4) F(5) B(4) 62(2) . . 3_656 yes
F(7) F(5) B(4) 67(2) . . 3_656 yes
F(1) F(6) F(7) 96(2) . . . yes
F(1) F(6) F(8) 76(2) . . 3_656 yes
F(1) F(6) B(4) 52(1) . . 3_656 yes
F(7) F(6) F(8) 122(2) . . 3_656 yes
F(7) F(6) B(4) 67(1) . . 3_656 yes
F(8) F(6) B(4) 64(1) 3_656 . 3_656 yes
F(5) F(7) F(6) 115(3) . . . yes
F(5) F(7) B(4) 58(2) . . 3_656 yes
F(6) F(7) B(4) 56(1) . . 3_656 yes
F(3) F(8) F(6) 100(2) 3_656 . 3_656 yes
F(3) F(8) B(4) 50(1) 3_656 . . yes
F(6) F(8) B(4) 51(1) 3_656 . . yes
Pt(1) C(1) C(2) 67.7(5) . . . yes
Pt(1) C(1) C(7) 108.2(9) . . . yes
C(2) C(1) C(7) 127(1) . . . yes
Pt(1) C(2) C(1) 74.9(7) . . . yes
Pt(1) C(2) C(3) 74.3(6) . . . yes
C(1) C(2) C(3) 122(1) . . . yes
Pt(1) C(3) C(2) 67.6(6) . . . yes
Pt(1) C(3) C(4) 112.1(8) . . . yes
C(2) C(3) C(4) 126.2(9) . . . yes
C(3) C(4) C(5) 126(1) . . . yes
C(4) C(5) C(6) 129(1) . . . yes
C(5) C(6) C(7) 130(1) . . . yes
C(1) C(7) C(6) 127(1) . . . yes
P(2) C(8) C(9) 118.3(8) . . . yes
P(2) C(8) C(13) 124.0(8) . . . yes
C(9) C(8) C(13) 117.7(10) . . . yes
C(8) C(9) C(10) 121(1) . . . yes
C(9) C(10) C(11) 118(1) . . . yes
C(10) C(11) C(12) 119(1) . . . yes
C(11) C(12) C(13) 121(1) . . . yes
C(8) C(13) C(12) 120(1) . . . yes
P(2) C(14) C(15) 124.0(7) . . . yes
P(2) C(14) C(19) 119.5(7) . . . yes
C(15) C(14) C(19) 116.5(8) . . . yes
C(14) C(15) C(16) 120.5(10) . . . yes
C(15) C(16) C(17) 121(1) . . . yes
C(16) C(17) C(18) 119(1) . . . yes
C(17) C(18) C(19) 120.3(9) . . . yes
C(14) C(19) C(18) 121.5(9) . . . yes
P(2) C(20) C(21) 122.0(7) . . . yes
P(2) C(20) C(25) 119.4(6) . . . yes
C(21) C(20) C(25) 118.6(8) . . . yes
C(20) C(21) C(22) 121.0(9) . . . yes
C(21) C(22) C(23) 119.9(9) . . . yes
C(22) C(23) C(24) 121(1) . . . yes
C(23) C(24) C(25) 118.8(10) . . . yes
C(20) C(25) C(24) 120.6(8) . . . yes
P(1) C(26) C(27) 121.8(7) . . . yes
P(1) C(26) C(31) 117.3(6) . . . yes
C(27) C(26) C(31) 120.9(8) . . . yes
C(26) C(27) C(28) 118.1(9) . . . yes
C(27) C(28) C(29) 121.3(10) . . . yes
C(28) C(29) C(30) 120(1) . . . yes
C(29) C(30) C(31) 119(1) . . . yes
C(26) C(31) C(30) 119.4(9) . . . yes
C(34) C(33) C(38) 89(2) . . . yes
C(34) C(33) C(60) 113(1) . . . yes
C(34) C(33) C(61) 27(1) . . . yes
C(38) C(33) C(60) 25(2) . . . yes
C(38) C(33) C(61) 62(2) . . . yes
C(60) C(33) C(61) 86(1) . . . yes
C(33) C(34) C(35) 116(1) . . . yes
C(33) C(34) C(38) 24(1) . . . yes
C(33) C(34) C(61) 97(2) . . . yes
C(35) C(34) C(38) 91(1) . . . yes
C(35) C(34) C(61) 18(2) . . . yes
C(38) C(34) C(61) 73(2) . . . yes
C(34) C(35) C(36) 130(1) . . . yes
C(34) C(35) C(61) 17(2) . . . yes
C(36) C(35) C(61) 112(2) . . . yes
C(35) C(36) C(37) 118(1) . . . yes
C(35) C(36) C(40) 173(2) . . . yes
C(35) C(36) C(61) 28(1) . . . yes
C(37) C(36) C(40) 55(1) . . . yes
C(37) C(36) C(61) 89(1) . . . yes
C(40) C(36) C(61) 144(2) . . . yes
C(36) C(37) C(40) 40(1) . . . yes
C(36) C(37) C(41) 128(2) . . . yes
C(36) C(37) C(60) 115(1) . . . yes
C(36) C(37) C(62) 138(1) . . . yes
C(40) C(37) C(41) 88(2) . . . yes
C(40) C(37) C(60) 156(1) . . . yes
C(40) C(37) C(62) 168(2) . . . yes
C(41) C(37) C(60) 113(2) . . . yes
C(41) C(37) C(62) 88(2) . . . yes
C(60) C(37) C(62) 25(1) . . . yes
C(33) C(38) C(34) 66(2) . . . yes
C(33) C(38) C(60) 136(3) . . . yes
C(33) C(38) C(61) 95(2) . . . yes
C(33) C(38) C(62) 145(3) . . . yes
C(34) C(38) C(60) 155(2) . . . yes
C(34) C(38) C(61) 30(1) . . . yes
C(34) C(38) C(62) 148(2) . . . yes
C(60) C(38) C(61) 125(2) . . . yes
C(60) C(38) C(62) 11(1) . . . yes
C(61) C(38) C(62) 118(2) . . . yes
C(36) C(40) C(37) 84(2) . . . yes
C(36) C(40) C(41) 116(2) . . . yes
C(37) C(40) C(41) 33(1) . . . yes
C(37) C(41) C(40) 58(1) . . . yes
C(37) C(41) C(62) 57(1) . . . yes
C(40) C(41) C(62) 114(1) . . . yes
P(1) C(42) C(43) 121(1) . . . yes
P(1) C(42) C(47) 121(1) . . . yes
P(1) C(42) C(48) 117(2) . . . yes
P(1) C(42) C(49) 149(1) . . . yes
C(43) C(42) C(47) 117(1) . . . yes
C(43) C(42) C(48) 119(2) . . . yes
C(43) C(42) C(49) 35(1) . . . yes
C(47) C(42) C(48) 7(2) . . . yes
C(47) C(42) C(49) 83(1) . . . yes
C(48) C(42) C(49) 84(2) . . . yes
C(42) C(43) C(44) 120(1) . . . yes
C(42) C(43) C(48) 18.5(9) . . . yes
C(42) C(43) C(49) 71(2) . . . yes
C(44) C(43) C(48) 102(1) . . . yes
C(44) C(43) C(49) 53(2) . . . yes
C(48) C(43) C(49) 53(2) . . . yes
C(43) C(44) C(45) 119(1) . . . yes
C(43) C(44) C(49) 38(1) . . . yes
C(45) C(44) C(49) 82(2) . . . yes
C(44) C(45) C(46) 125(1) . . . yes
C(44) C(45) C(49) 45(1) . . . yes
C(44) C(45) C(51) 162(3) . . . yes
C(46) C(45) C(49) 83(1) . . . yes
C(46) C(45) C(51) 36(2) . . . yes
C(49) C(45) C(51) 117(2) . . . yes
C(45) C(46) C(47) 112(1) . . . yes
C(45) C(46) C(51) 44(2) . . . yes
C(45) C(46) C(52) 145(2) . . . yes
C(45) C(46) C(53) 137(1) . . . yes
C(47) C(46) C(51) 153(3) . . . yes
C(47) C(46) C(52) 100(2) . . . yes
C(47) C(46) C(53) 24(1) . . . yes
C(51) C(46) C(52) 101(3) . . . yes
C(51) C(46) C(53) 168(3) . . . yes
C(52) C(46) C(53) 76(2) . . . yes
C(42) C(47) C(46) 122(1) . . . yes
C(42) C(47) C(48) 6(1) . . . yes
C(42) C(47) C(52) 155(1) . . . yes
C(42) C(47) C(53) 142(3) . . . yes
C(46) C(47) C(48) 125(2) . . . yes
C(46) C(47) C(52) 32(1) . . . yes
C(46) C(47) C(53) 95(3) . . . yes
C(48) C(47) C(52) 156(2) . . . yes
C(48) C(47) C(53) 139(3) . . . yes
C(52) C(47) C(53) 62(2) . . . yes
P(1) C(48) C(42) 45(1) . . . yes
P(1) C(48) C(43) 86(1) . . . yes
P(1) C(48) C(47) 140(2) . . . yes
P(1) C(48) C(49) 111(1) . . . yes
P(1) C(48) C(53) 122(1) . . . yes
C(42) C(48) C(43) 41(2) . . . yes
C(42) C(48) C(47) 165(3) . . . yes
C(42) C(48) C(49) 68(2) . . . yes
C(42) C(48) C(53) 162(3) . . . yes
C(43) C(48) C(47) 132(2) . . . yes
C(43) C(48) C(49) 27(1) . . . yes
C(43) C(48) C(53) 150(1) . . . yes
C(47) C(48) C(49) 107(2) . . . yes
C(47) C(48) C(53) 18(1) . . . yes
C(49) C(48) C(53) 125(2) . . . yes
C(42) C(49) C(43) 72(2) . . . yes
C(42) C(49) C(44) 148(2) . . . yes
C(42) C(49) C(45) 134(2) . . . yes
C(42) C(49) C(48) 26(1) . . . yes
C(43) C(49) C(44) 87(2) . . . yes
C(43) C(49) C(45) 136(3) . . . yes
C(43) C(49) C(48) 99(3) . . . yes
C(44) C(49) C(45) 51(1) . . . yes
C(44) C(49) C(48) 150(3) . . . yes
C(45) C(49) C(48) 110(2) . . . yes
C(45) C(51) C(46) 99(4) . . . yes
C(45) C(51) C(52) 140(4) . . . yes
C(46) C(51) C(52) 41(2) . . . yes
C(46) C(52) C(47) 46(2) . . . yes
C(46) C(52) C(51) 37(2) . . . yes
C(46) C(52) C(53) 67(2) . . . yes
C(47) C(52) C(51) 83(2) . . . yes
C(47) C(52) C(53) 20(1) . . . yes
C(51) C(52) C(53) 103(2) . . . yes
C(46) C(53) C(47) 60(2) . . . yes
C(46) C(53) C(48) 82(1) . . . yes
C(46) C(53) C(52) 36(1) . . . yes
C(47) C(53) C(48) 22(2) . . . yes
C(47) C(53) C(52) 96(3) . . . yes
C(48) C(53) C(52) 118(2) . . . yes
C(55) C(54) C(57) 122(2) . . 4_455 yes
C(54) C(55) C(56) 131(2) . . . yes
C(55) C(56) C(59) 101(1) . . 4_455 yes
C(54) C(57) C(58) 116(1) 4_555 . . yes
C(57) C(58) C(59) 119(1) . . . yes
C(56) C(59) C(58) 125(2) 4_555 . . yes
P(1) C(60) C(33) 116(1) . . . yes
P(1) C(60) C(37) 118(1) . . . yes
P(1) C(60) C(38) 133(2) . . . yes
P(1) C(60) C(62) 64(2) . . . yes
C(33) C(60) C(37) 125(1) . . . yes
C(33) C(60) C(38) 18(1) . . . yes
C(33) C(60) C(62) 162(2) . . . yes
C(37) C(60) C(38) 108(2) . . . yes
C(37) C(60) C(62) 56(2) . . . yes
C(38) C(60) C(62) 152(3) . . . yes
C(33) C(61) C(34) 54(2) . . . yes
C(33) C(61) C(35) 161(3) . . . yes
C(33) C(61) C(36) 122(1) . . . yes
C(33) C(61) C(38) 21(1) . . . yes
C(34) C(61) C(35) 143(3) . . . yes
C(34) C(61) C(36) 177(3) . . . yes
C(34) C(61) C(38) 76(2) . . . yes
C(35) C(61) C(36) 39(2) . . . yes
C(35) C(61) C(38) 139(3) . . . yes
C(36) C(61) C(38) 100(1) . . . yes
P(1) C(62) C(37) 155(1) . . . yes
P(1) C(62) C(38) 108(1) . . . yes
P(1) C(62) C(41) 126(1) . . . yes
P(1) C(62) C(60) 96(2) . . . yes
C(37) C(62) C(38) 90(1) . . . yes
C(37) C(62) C(41) 34(1) . . . yes
C(37) C(62) C(60) 98(2) . . . yes
C(38) C(62) C(41) 124(1) . . . yes
C(38) C(62) C(60) 16(2) . . . yes
C(41) C(62) C(60) 132(2) . . . yes
F(1) B(4) F(2) 42(2) 3_656 . 3_656 yes
F(1) B(4) F(3) 115(2) 3_656 . 3_656 yes
F(1) B(4) F(4) 158(2) 3_656 . 3_656 yes
F(1) B(4) F(5) 124(2) 3_656 . 3_656 yes
F(1) B(4) F(6) 77(2) 3_656 . 3_656 yes
F(1) B(4) F(7) 105(2) 3_656 . 3_656 yes
F(1) B(4) F(8) 86(2) 3_656 . . yes
F(2) B(4) F(3) 107(1) 3_656 . 3_656 yes
F(2) B(4) F(4) 117(1) 3_656 . 3_656 yes
F(2) B(4) F(5) 91(1) 3_656 . 3_656 yes
F(2) B(4) F(6) 112(1) 3_656 . 3_656 yes
F(2) B(4) F(7) 107(1) 3_656 . 3_656 yes
F(2) B(4) F(8) 122(1) 3_656 . . yes
F(3) B(4) F(4) 57(1) 3_656 . 3_656 yes
F(3) B(4) F(5) 103(1) 3_656 . 3_656 yes
F(3) B(4) F(6) 126(1) 3_656 . 3_656 yes
F(3) B(4) F(7) 138(2) 3_656 . 3_656 yes
F(3) B(4) F(8) 65(1) 3_656 . . yes
F(4) B(4) F(5) 48(1) 3_656 . 3_656 yes
F(4) B(4) F(6) 124(1) 3_656 . 3_656 yes
F(4) B(4) F(7) 85(2) 3_656 . 3_656 yes
F(4) B(4) F(8) 106(1) 3_656 . . yes
F(5) B(4) F(6) 109(1) 3_656 . 3_656 yes
F(5) B(4) F(7) 53(2) 3_656 . 3_656 yes
F(5) B(4) F(8) 146(2) 3_656 . . yes
F(6) B(4) F(7) 55(1) 3_656 . 3_656 yes
F(6) B(4) F(8) 63(1) 3_656 . . yes
F(7) B(4) F(8) 112(2) 3_656 . . yes
#------------------------------------------------------------------------------
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) P(1) C(26) C(27) 0.1(8) . . . . yes
Pt(1) P(1) C(26) C(31) -178.3(6) . . . . yes
Pt(1) P(1) C(42) C(43) 51(1) . . . . yes
Pt(1) P(1) C(42) C(47) -121(1) . . . . yes
Pt(1) P(1) C(42) C(48) -113(2) . . . . yes
Pt(1) P(1) C(42) C(49) 19(3) . . . . yes
Pt(1) P(1) C(48) C(42) 71(2) . . . . yes
Pt(1) P(1) C(48) C(43) 62.1(9) . . . . yes
Pt(1) P(1) C(48) C(47) -126(3) . . . . yes
Pt(1) P(1) C(48) C(49) 50(1) . . . . yes
Pt(1) P(1) C(48) C(53) -124(1) . . . . yes
Pt(1) P(1) C(60) C(33) 73(1) . . . . yes
Pt(1) P(1) C(60) C(37) -106(1) . . . . yes
Pt(1) P(1) C(60) C(38) 80(2) . . . . yes
Pt(1) P(1) C(60) C(62) -125(2) . . . . yes
Pt(1) P(1) C(62) C(37) -64(4) . . . . yes
Pt(1) P(1) C(62) C(38) 73(1) . . . . yes
Pt(1) P(1) C(62) C(41) -95(1) . . . . yes
Pt(1) P(1) C(62) C(60) 62(2) . . . . yes
Pt(1) P(2) C(8) C(9) 58.7(8) . . . . yes
Pt(1) P(2) C(8) C(13) -119.7(7) . . . . yes
Pt(1) P(2) C(14) C(15) -111.6(8) . . . . yes
Pt(1) P(2) C(14) C(19) 68.7(8) . . . . yes
Pt(1) P(2) C(20) C(21) -178.4(7) . . . . yes
Pt(1) P(2) C(20) C(25) 1.9(8) . . . . yes
Pt(1) C(1) C(2) C(3) -60.0(8) . . . . yes
Pt(1) C(1) C(7) C(6) 67(1) . . . . yes
Pt(1) C(2) C(1) C(7) 96(1) . . . . yes
Pt(1) C(2) C(3) C(4) -101(1) . . . . yes
Pt(1) C(3) C(2) C(1) 60.3(8) . . . . yes
Pt(1) C(3) C(4) C(5) -58(1) . . . . yes
P(1) Pt(1) P(2) C(8) -126.9(4) . . . . yes
P(1) Pt(1) P(2) C(14) -4.7(4) . . . . yes
P(1) Pt(1) P(2) C(20) 116.5(3) . . . . yes
P(1) Pt(1) C(1) C(2) -156.5(7) . . . . yes
P(1) Pt(1) C(1) C(7) 79.7(8) . . . . yes
P(1) Pt(1) C(2) C(1) 30.7(9) . . . . yes
P(1) Pt(1) C(2) C(3) 161.0(5) . . . . yes
P(1) Pt(1) C(3) C(2) -52(1) . . . . yes
P(1) Pt(1) C(3) C(4) 68(1) . . . . yes
P(1) C(26) C(27) C(28) -180.0(7) . . . . yes
P(1) C(26) C(31) C(30) 179.8(7) . . . . yes
P(1) C(42) C(43) C(44) -176(1) . . . . yes
P(1) C(42) C(43) C(48) -164(3) . . . . yes
P(1) C(42) C(43) C(49) -153(2) . . . . yes
P(1) C(42) C(47) C(46) 176(1) . . . . yes
P(1) C(42) C(47) C(48) 60(16) . . . . yes
P(1) C(42) C(47) C(52) 172(3) . . . . yes
P(1) C(42) C(47) C(53) -10(5) . . . . yes
P(1) C(42) C(48) C(43) 165(3) . . . . yes
P(1) C(42) C(48) C(47) -122(16) . . . . yes
P(1) C(42) C(48) C(49) 158(2) . . . . yes
P(1) C(42) C(48) C(53) -52(11) . . . . yes
P(1) C(42) C(49) C(43) 50(4) . . . . yes
P(1) C(42) C(49) C(44) 103(6) . . . . yes
P(1) C(42) C(49) C(45) -171(1) . . . . yes
P(1) C(42) C(49) C(48) -139(4) . . . . yes
P(1) C(48) C(42) C(43) -165(3) . . . . yes
P(1) C(48) C(42) C(47) 122(16) . . . . yes
P(1) C(48) C(42) C(49) -158(2) . . . . yes
P(1) C(48) C(43) C(42) 10(2) . . . . yes
P(1) C(48) C(43) C(44) -179(1) . . . . yes
P(1) C(48) C(43) C(49) -155(3) . . . . yes
P(1) C(48) C(47) C(42) -108(18) . . . . yes
P(1) C(48) C(47) C(46) -177(2) . . . . yes
P(1) C(48) C(47) C(52) 168(4) . . . . yes
P(1) C(48) C(47) C(53) 7(8) . . . . yes
P(1) C(48) C(49) C(42) 16(1) . . . . yes
P(1) C(48) C(49) C(43) 26(3) . . . . yes
P(1) C(48) C(49) C(44) 126(5) . . . . yes
P(1) C(48) C(49) C(45) 172(1) . . . . yes
P(1) C(48) C(53) C(46) -177(1) . . . . yes
P(1) C(48) C(53) C(47) -174(6) . . . . yes
P(1) C(48) C(53) C(52) 176(1) . . . . yes
P(1) C(60) C(33) C(34) 175(1) . . . . yes
P(1) C(60) C(33) C(38) 164(5) . . . . yes
P(1) C(60) C(33) C(61) 177(1) . . . . yes
P(1) C(60) C(37) C(36) -178(1) . . . . yes
P(1) C(60) C(37) C(40) -171(4) . . . . yes
P(1) C(60) C(37) C(41) -14(2) . . . . yes
P(1) C(60) C(37) C(62) -20(2) . . . . yes
P(1) C(60) C(38) C(33) -19(6) . . . . yes
P(1) C(60) C(38) C(34) -175(3) . . . . yes
P(1) C(60) C(38) C(61) 178(1) . . . . yes
P(1) C(60) C(38) C(62) 121(7) . . . . yes
P(1) C(60) C(62) C(37) 160(2) . . . . yes
P(1) C(60) C(62) C(38) -136(6) . . . . yes
P(1) C(60) C(62) C(41) 156(4) . . . . yes
P(1) C(62) C(37) C(36) 157(2) . . . . yes
P(1) C(62) C(37) C(40) -122(9) . . . . yes
P(1) C(62) C(37) C(41) -47(4) . . . . yes
P(1) C(62) C(37) C(60) 126(5) . . . . yes
P(1) C(62) C(38) C(33) 2(5) . . . . yes
P(1) C(62) C(38) C(34) 179(2) . . . . yes
P(1) C(62) C(38) C(60) -45(6) . . . . yes
P(1) C(62) C(38) C(61) -175(1) . . . . yes
P(1) C(62) C(41) C(37) 157(2) . . . . yes
P(1) C(62) C(41) C(40) 168(1) . . . . yes
P(1) C(62) C(60) C(33) 96(9) . . . . yes
P(1) C(62) C(60) C(37) -160(2) . . . . yes
P(1) C(62) C(60) C(38) 136(6) . . . . yes
P(2) Pt(1) P(1) C(26) -72.6(3) . . . . yes
P(2) Pt(1) P(1) C(42) 58.6(5) . . . . yes
P(2) Pt(1) P(1) C(48) 42.1(7) . . . . yes
P(2) Pt(1) P(1) C(60) 176.8(6) . . . . yes
P(2) Pt(1) P(1) C(62) 159.4(9) . . . . yes
P(2) Pt(1) C(1) C(2) 38(1) . . . . yes
P(2) Pt(1) C(1) C(7) -85(1) . . . . yes
P(2) Pt(1) C(2) C(1) -164.1(6) . . . . yes
P(2) Pt(1) C(2) C(3) -33.8(8) . . . . yes
P(2) Pt(1) C(3) C(2) 152.8(6) . . . . yes
P(2) Pt(1) C(3) C(4) -85.7(7) . . . . yes
P(2) C(8) C(9) C(10) -179.2(9) . . . . yes
P(2) C(8) C(13) C(12) 177.6(8) . . . . yes
P(2) C(14) C(15) C(16) -178.7(8) . . . . yes
P(2) C(14) C(19) C(18) 179.0(7) . . . . yes
P(2) C(20) C(21) C(22) -178.1(7) . . . . yes
P(2) C(20) C(25) C(24) 177.8(7) . . . . yes
F(1) F(2) B(4) F(3) -109(3) . . 3_656 . yes
F(1) F(2) B(4) F(4) -171(3) . . 3_656 . yes
F(1) F(2) B(4) F(5) 145(3) . . 3_656 . yes
F(1) F(2) B(4) F(6) 34(3) . . 3_656 . yes
F(1) F(2) B(4) F(7) 93(3) . . 3_656 . yes
F(1) F(2) B(4) F(8) -38(3) . . 3_656 3_656 yes
F(1) F(6) F(7) F(5) 48(3) . . . . yes
F(1) F(6) F(7) B(4) 44(1) . . . 3_656 yes
F(1) F(6) F(8) F(3) -68(2) . . 3_656 . yes
F(1) F(6) F(8) B(4) -54(2) . . 3_656 3_656 yes
F(1) F(6) B(4) F(2) -22(2) . . 3_656 . yes
F(1) F(6) B(4) F(3) 112(3) . . 3_656 . yes
F(1) F(6) B(4) F(4) -174(3) . . 3_656 . yes
F(1) F(6) B(4) F(5) -122(2) . . 3_656 . yes
F(1) F(6) B(4) F(7) -119(2) . . 3_656 . yes
F(1) F(6) B(4) F(8) 92(2) . . 3_656 3_656 yes
F(1) B(4) F(3) F(4) -156(2) . 3_656 . . yes
F(1) B(4) F(3) F(8) 73(2) . 3_656 . 3_656 yes
F(1) B(4) F(4) F(3) 78(7) . 3_656 . . yes
F(1) B(4) F(4) F(5) -80(7) . 3_656 . . yes
F(1) B(4) F(5) F(4) 153(3) . 3_656 . . yes
F(1) B(4) F(5) F(7) -83(3) . 3_656 . . yes
F(1) B(4) F(6) F(7) 119(2) . 3_656 . . yes
F(1) B(4) F(6) F(8) -92(2) . 3_656 . 3_656 yes
F(1) B(4) F(7) F(5) 122(2) . 3_656 . . yes
F(1) B(4) F(7) F(6) -62(2) . 3_656 . . yes
F(1) B(4) F(8) F(3) -120(2) . 3_656 3_656 . yes
F(1) B(4) F(8) F(6) 77(2) . 3_656 3_656 . yes
F(2) F(1) F(6) F(7) -20(4) . . . . yes
F(2) F(1) F(6) F(8) 101(3) . . . 3_656 yes
F(2) F(1) F(6) B(4) 33(2) . . . 3_656 yes
F(2) F(1) B(4) F(3) 87(2) . . 3_656 . yes
F(2) F(1) B(4) F(4) 20(8) . . 3_656 . yes
F(2) F(1) B(4) F(5) -42(3) . . 3_656 . yes
F(2) F(1) B(4) F(6) -147(2) . . 3_656 . yes
F(2) F(1) B(4) F(7) -99(2) . . 3_656 . yes
F(2) F(1) B(4) F(8) 148(2) . . 3_656 3_656 yes
F(2) B(4) F(1) F(6) 147(2) . 3_656 . . yes
F(2) B(4) F(3) F(4) -111(1) . 3_656 . . yes
F(2) B(4) F(3) F(8) 117(1) . 3_656 . 3_656 yes
F(2) B(4) F(4) F(3) 93(1) . 3_656 . . yes
F(2) B(4) F(4) F(5) -64(2) . 3_656 . . yes
F(2) B(4) F(5) F(4) 126(2) . 3_656 . . yes
F(2) B(4) F(5) F(7) -111(2) . 3_656 . . yes
F(2) B(4) F(6) F(7) 96(2) . 3_656 . . yes
F(2) B(4) F(6) F(8) -115(1) . 3_656 . 3_656 yes
F(2) B(4) F(7) F(5) 78(2) . 3_656 . . yes
F(2) B(4) F(7) F(6) -106(1) . 3_656 . . yes
F(2) B(4) F(8) F(3) -95(1) . 3_656 3_656 . yes
F(2) B(4) F(8) F(6) 101(1) . 3_656 3_656 . yes
F(3) F(4) F(5) F(7) -78(4) . . . . yes
F(3) F(4) F(5) B(4) -24(2) . . . 3_656 yes
F(3) F(4) B(4) F(5) 158(2) . . 3_656 . yes
F(3) F(4) B(4) F(6) -115(2) . . 3_656 . yes
F(3) F(4) B(4) F(7) -158(2) . . 3_656 . yes
F(3) F(4) B(4) F(8) -46(1) . . 3_656 3_656 yes
F(3) F(8) F(6) F(7) 21(3) . 3_656 . . yes
F(3) F(8) F(6) B(4) -13(1) . 3_656 . 3_656 yes
F(3) F(8) B(4) F(4) 41(1) . 3_656 3_656 . yes
F(3) F(8) B(4) F(5) 76(3) . 3_656 3_656 . yes
F(3) F(8) B(4) F(6) 162(1) . 3_656 3_656 . yes
F(3) F(8) B(4) F(7) 134(2) . 3_656 3_656 . yes
F(3) B(4) F(1) F(6) -125(1) . 3_656 . . yes
F(3) B(4) F(4) F(5) -158(2) . 3_656 . . yes
F(3) B(4) F(5) F(4) 18(2) . 3_656 . . yes
F(3) B(4) F(5) F(7) 140(2) . 3_656 . . yes
F(3) B(4) F(6) F(7) -127(2) . 3_656 . . yes
F(3) B(4) F(6) F(8) 20(2) . 3_656 . 3_656 yes
F(3) B(4) F(7) F(5) -66(3) . 3_656 . . yes
F(3) B(4) F(7) F(6) 109(2) . 3_656 . . yes
F(3) B(4) F(8) F(6) -162(1) . 3_656 3_656 . yes
F(4) F(3) F(8) F(6) -29(2) . . 3_656 . yes
F(4) F(3) F(8) B(4) -43(1) . . 3_656 3_656 yes
F(4) F(3) B(4) F(5) -16(1) . . 3_656 . yes
F(4) F(3) B(4) F(6) 110(2) . . 3_656 . yes
F(4) F(3) B(4) F(7) 33(3) . . 3_656 . yes
F(4) F(3) B(4) F(8) 130(2) . . 3_656 3_656 yes
F(4) F(5) F(7) F(6) 46(4) . . . . yes
F(4) F(5) F(7) B(4) 50(2) . . . 3_656 yes
F(4) F(5) B(4) F(6) -118(2) . . 3_656 . yes
F(4) F(5) B(4) F(7) -122(2) . . 3_656 . yes
F(4) F(5) B(4) F(8) -47(3) . . 3_656 3_656 yes
F(4) B(4) F(1) F(6) 168(6) . 3_656 . . yes
F(4) B(4) F(3) F(8) -130(2) . 3_656 . 3_656 yes
F(4) B(4) F(5) F(7) 122(2) . 3_656 . . yes
F(4) B(4) F(6) F(7) -55(2) . 3_656 . . yes
F(4) B(4) F(6) F(8) 92(2) . 3_656 . 3_656 yes
F(4) B(4) F(7) F(5) -39(2) . 3_656 . . yes
F(4) B(4) F(7) F(6) 136(1) . 3_656 . . yes
F(4) B(4) F(8) F(6) -120(1) . 3_656 3_656 . yes
F(5) F(4) F(3) F(8) 71(3) . . . 3_656 yes
F(5) F(4) F(3) B(4) 25(2) . . . 3_656 yes
F(5) F(4) B(4) F(6) 86(2) . . 3_656 . yes
F(5) F(4) B(4) F(7) 42(2) . . 3_656 . yes
F(5) F(4) B(4) F(8) 155(2) . . 3_656 3_656 yes
F(5) F(7) F(6) F(8) -30(4) . . . 3_656 yes
F(5) F(7) F(6) B(4) 4(2) . . . 3_656 yes
F(5) F(7) B(4) F(6) -175(2) . . 3_656 . yes
F(5) F(7) B(4) F(8) -144(2) . . 3_656 3_656 yes
F(5) B(4) F(1) F(6) 104(2) . 3_656 . . yes
F(5) B(4) F(3) F(8) -146(2) . 3_656 . 3_656 yes
F(5) B(4) F(6) F(7) -3(2) . 3_656 . . yes
F(5) B(4) F(6) F(8) 144(2) . 3_656 . 3_656 yes
F(5) B(4) F(7) F(6) 175(2) . 3_656 . . yes
F(5) B(4) F(8) F(6) -85(3) . 3_656 3_656 . yes
F(6) F(1) F(2) B(4) -26(2) . . . 3_656 yes
F(6) F(1) B(4) F(7) 48(2) . . 3_656 . yes
F(6) F(1) B(4) F(8) -63(1) . . 3_656 3_656 yes
F(6) F(7) F(5) B(4) -3(2) . . . 3_656 yes
F(6) F(7) B(4) F(8) 30(2) . . 3_656 3_656 yes
F(6) F(8) F(3) B(4) 13(1) . 3_656 . 3_656 yes
F(6) F(8) B(4) F(7) -28(2) . 3_656 3_656 . yes
F(6) B(4) F(3) F(8) -19(2) . 3_656 . 3_656 yes
F(6) B(4) F(5) F(7) 3(2) . 3_656 . . yes
F(7) F(5) F(4) B(4) -53(2) . . . 3_656 yes
F(7) F(5) B(4) F(8) 75(3) . . 3_656 3_656 yes
F(7) F(6) F(1) B(4) -54(2) . . . 3_656 yes
F(7) F(6) F(8) B(4) 35(2) . . 3_656 3_656 yes
F(7) F(6) B(4) F(8) -148(2) . . 3_656 3_656 yes
F(7) B(4) F(3) F(8) -97(3) . 3_656 . 3_656 yes
F(7) B(4) F(6) F(8) 148(2) . 3_656 . 3_656 yes
F(8) F(3) F(4) B(4) -45(1) . 3_656 3_656 . yes
F(8) F(6) F(1) B(4) -67(1) . 3_656 3_656 . yes
F(8) F(6) F(7) B(4) 34(2) . 3_656 3_656 . yes
C(1) Pt(1) P(1) C(26) 113.0(5) . . . . yes
C(1) Pt(1) P(1) C(42) -115.8(6) . . . . yes
C(1) Pt(1) P(1) C(48) -132.4(7) . . . . yes
C(1) Pt(1) P(1) C(60) 2.3(7) . . . . yes
C(1) Pt(1) P(1) C(62) -15.1(9) . . . . yes
C(1) Pt(1) P(2) C(8) 37(1) . . . . yes
C(1) Pt(1) P(2) C(14) 159(1) . . . . yes
C(1) Pt(1) P(2) C(20) -78(1) . . . . yes
C(1) Pt(1) C(2) C(3) 130(1) . . . . yes
C(1) Pt(1) C(3) C(2) -30.0(7) . . . . yes
C(1) Pt(1) C(3) C(4) 91.5(8) . . . . yes
C(1) C(2) Pt(1) C(3) -130(1) . . . . yes
C(1) C(2) C(3) C(4) -41(1) . . . . yes
C(1) C(7) C(6) C(5) -9(2) . . . . yes
C(2) Pt(1) P(1) C(26) 94.8(5) . . . . yes
C(2) Pt(1) P(1) C(42) -134.0(7) . . . . yes
C(2) Pt(1) P(1) C(48) -150.5(8) . . . . yes
C(2) Pt(1) P(1) C(60) -15.8(8) . . . . yes
C(2) Pt(1) P(1) C(62) -33.2(10) . . . . yes
C(2) Pt(1) P(2) C(8) 65.1(6) . . . . yes
C(2) Pt(1) P(2) C(14) -172.8(5) . . . . yes
C(2) Pt(1) P(2) C(20) -51.6(5) . . . . yes
C(2) Pt(1) C(1) C(7) -123(1) . . . . yes
C(2) Pt(1) C(3) C(4) 121.5(10) . . . . yes
C(2) C(1) Pt(1) C(3) 30.6(7) . . . . yes
C(2) C(1) C(7) C(6) -8(2) . . . . yes
C(2) C(3) C(4) C(5) 18(1) . . . . yes
C(3) Pt(1) P(1) C(26) 133(1) . . . . yes
C(3) Pt(1) P(1) C(42) -94(1) . . . . yes
C(3) Pt(1) P(1) C(48) -111(1) . . . . yes
C(3) Pt(1) P(1) C(60) 23(1) . . . . yes
C(3) Pt(1) P(1) C(62) 5(1) . . . . yes
C(3) Pt(1) P(2) C(8) 45.0(5) . . . . yes
C(3) Pt(1) P(2) C(14) 167.2(5) . . . . yes
C(3) Pt(1) P(2) C(20) -71.6(4) . . . . yes
C(3) Pt(1) C(1) C(7) -93.3(8) . . . . yes
C(3) C(2) C(1) C(7) 36(1) . . . . yes
C(3) C(4) C(5) C(6) 1(2) . . . . yes
C(4) C(5) C(6) C(7) 2(2) . . . . yes
C(8) P(2) C(14) C(15) 12.3(9) . . . . yes
C(8) P(2) C(14) C(19) -167.3(7) . . . . yes
C(8) P(2) C(20) C(21) 63.4(8) . . . . yes
C(8) P(2) C(20) C(25) -116.3(8) . . . . yes
C(8) C(9) C(10) C(11) 3(1) . . . . yes
C(8) C(13) C(12) C(11) -1(1) . . . . yes
C(9) C(8) P(2) C(14) -73.4(8) . . . . yes
C(9) C(8) P(2) C(20) 178.5(7) . . . . yes
C(9) C(8) C(13) C(12) 0(1) . . . . yes
C(9) C(10) C(11) C(12) -5(1) . . . . yes
C(10) C(9) C(8) C(13) 0(1) . . . . yes
C(10) C(11) C(12) C(13) 4(1) . . . . yes
C(13) C(8) P(2) C(14) 108.2(8) . . . . yes
C(13) C(8) P(2) C(20) 0.1(9) . . . . yes
C(14) P(2) C(20) C(21) -46.4(8) . . . . yes
C(14) P(2) C(20) C(25) 133.9(7) . . . . yes
C(14) C(15) C(16) C(17) -2(1) . . . . yes
C(14) C(19) C(18) C(17) 1(1) . . . . yes
C(15) C(14) P(2) C(20) 123.1(8) . . . . yes
C(15) C(14) C(19) C(18) 0(1) . . . . yes
C(15) C(16) C(17) C(18) 3(1) . . . . yes
C(16) C(15) C(14) C(19) 1(1) . . . . yes
C(16) C(17) C(18) C(19) -2(1) . . . . yes
C(19) C(14) P(2) C(20) -56.6(8) . . . . yes
C(20) C(21) C(22) C(23) 0(1) . . . . yes
C(20) C(25) C(24) C(23) 0(1) . . . . yes
C(21) C(20) C(25) C(24) -1(1) . . . . yes
C(21) C(22) C(23) C(24) -1(1) . . . . yes
C(22) C(21) C(20) C(25) 1(1) . . . . yes
C(22) C(23) C(24) C(25) 1(1) . . . . yes
C(26) P(1) C(42) C(43) -176(1) . . . . yes
C(26) P(1) C(42) C(47) 11(1) . . . . yes
C(26) P(1) C(42) C(48) 18(3) . . . . yes
C(26) P(1) C(42) C(49) 152(3) . . . . yes
C(26) P(1) C(48) C(42) -163(2) . . . . yes
C(26) P(1) C(48) C(43) -172.7(8) . . . . yes
C(26) P(1) C(48) C(47) -1(3) . . . . yes
C(26) P(1) C(48) C(49) 175(1) . . . . yes
C(26) P(1) C(48) C(53) 0(2) . . . . yes
C(26) P(1) C(60) C(33) -49(1) . . . . yes
C(26) P(1) C(60) C(37) 130(1) . . . . yes
C(26) P(1) C(60) C(38) -42(2) . . . . yes
C(26) P(1) C(60) C(62) 111(2) . . . . yes
C(26) P(1) C(62) C(37) 161(4) . . . . yes
C(26) P(1) C(62) C(38) -60(1) . . . . yes
C(26) P(1) C(62) C(41) 129(1) . . . . yes
C(26) P(1) C(62) C(60) -71(2) . . . . yes
C(26) C(27) C(28) C(29) 0(1) . . . . yes
C(26) C(31) C(30) C(29) 0(1) . . . . yes
C(27) C(26) P(1) C(42) -127.2(9) . . . . yes
C(27) C(26) P(1) C(48) -121.9(9) . . . . yes
C(27) C(26) P(1) C(60) 118.1(9) . . . . yes
C(27) C(26) P(1) C(62) 135.8(10) . . . . yes
C(27) C(26) C(31) C(30) 1(1) . . . . yes
C(27) C(28) C(29) C(30) 0(1) . . . . yes
C(28) C(27) C(26) C(31) -1(1) . . . . yes
C(28) C(29) C(30) C(31) -1(1) . . . . yes
C(31) C(26) P(1) C(42) 54.4(9) . . . . yes
C(31) C(26) P(1) C(48) 59.8(9) . . . . yes
C(31) C(26) P(1) C(60) -60.2(9) . . . . yes
C(31) C(26) P(1) C(62) -42.5(10) . . . . yes
C(33) C(34) C(35) C(36) -5(3) . . . . yes
C(33) C(34) C(35) C(61) -7(6) . . . . yes
C(33) C(34) C(38) C(60) 161(7) . . . . yes
C(33) C(34) C(38) C(61) 172(3) . . . . yes
C(33) C(34) C(38) C(62) -178(5) . . . . yes
C(33) C(34) C(61) C(35) 173(5) . . . . yes
C(33) C(34) C(61) C(36) 15(55) . . . . yes
C(33) C(34) C(61) C(38) -3(1) . . . . yes
C(33) C(38) C(34) C(35) -171(2) . . . . yes
C(33) C(38) C(34) C(61) -172(3) . . . . yes
C(33) C(38) C(60) C(37) 166(4) . . . . yes
C(33) C(38) C(60) C(62) -141(6) . . . . yes
C(33) C(38) C(61) C(34) 7(3) . . . . yes
C(33) C(38) C(61) C(35) -169(4) . . . . yes
C(33) C(38) C(61) C(36) -172(2) . . . . yes
C(33) C(38) C(62) C(37) 166(5) . . . . yes
C(33) C(38) C(62) C(41) 172(5) . . . . yes
C(33) C(38) C(62) C(60) 47(8) . . . . yes
C(33) C(60) P(1) C(42) -169(1) . . . . yes
C(33) C(60) P(1) C(48) -154(1) . . . . yes
C(33) C(60) P(1) C(62) -160(3) . . . . yes
C(33) C(60) C(37) C(36) 1(2) . . . . yes
C(33) C(60) C(37) C(40) 7(5) . . . . yes
C(33) C(60) C(37) C(41) 165(2) . . . . yes
C(33) C(60) C(37) C(62) 159(3) . . . . yes
C(33) C(60) C(38) C(34) -155(9) . . . . yes
C(33) C(60) C(38) C(61) -161(6) . . . . yes
C(33) C(60) C(38) C(62) 141(6) . . . . yes
C(33) C(60) C(62) C(37) -103(9) . . . . yes
C(33) C(60) C(62) C(38) -40(7) . . . . yes
C(33) C(60) C(62) C(41) -107(9) . . . . yes
C(33) C(61) C(34) C(35) -173(5) . . . . yes
C(33) C(61) C(34) C(38) 3(1) . . . . yes
C(33) C(61) C(35) C(34) 162(14) . . . . yes
C(33) C(61) C(35) C(36) -15(10) . . . . yes
C(33) C(61) C(36) C(35) 174(3) . . . . yes
C(33) C(61) C(36) C(37) -2(1) . . . . yes
C(33) C(61) C(36) C(40) -9(4) . . . . yes
C(33) C(61) C(38) C(34) -7(3) . . . . yes
C(33) C(61) C(38) C(60) 167(4) . . . . yes
C(33) C(61) C(38) C(62) 178(3) . . . . yes
C(34) C(33) C(38) C(60) -169(4) . . . . yes
C(34) C(33) C(38) C(61) -3(1) . . . . yes
C(34) C(33) C(38) C(62) 178(4) . . . . yes
C(34) C(33) C(60) C(37) -3(2) . . . . yes
C(34) C(33) C(60) C(38) 11(4) . . . . yes
C(34) C(33) C(60) C(62) 87(9) . . . . yes
C(34) C(33) C(61) C(35) -167(10) . . . . yes
C(34) C(33) C(61) C(36) -179(3) . . . . yes
C(34) C(33) C(61) C(38) 171(3) . . . . yes
C(34) C(35) C(36) C(37) 3(3) . . . . yes
C(34) C(35) C(36) C(40) -16(22) . . . . yes
C(34) C(35) C(36) C(61) 0(2) . . . . yes
C(34) C(35) C(61) C(36) 178(5) . . . . yes
C(34) C(35) C(61) C(38) 174(9) . . . . yes
C(34) C(38) C(33) C(60) 169(4) . . . . yes
C(34) C(38) C(33) C(61) 3(1) . . . . yes
C(34) C(38) C(60) C(37) 11(6) . . . . yes
C(34) C(38) C(60) C(62) 62(9) . . . . yes
C(34) C(38) C(61) C(35) -176(5) . . . . yes
C(34) C(38) C(61) C(36) -179(2) . . . . yes
C(34) C(38) C(62) C(37) -16(3) . . . . yes
C(34) C(38) C(62) C(41) -10(4) . . . . yes
C(34) C(38) C(62) C(60) -134(7) . . . . yes
C(34) C(61) C(33) C(38) -171(3) . . . . yes
C(34) C(61) C(33) C(60) -177(2) . . . . yes
C(34) C(61) C(35) C(36) -178(5) . . . . yes
C(34) C(61) C(36) C(35) 158(56) . . . . yes
C(34) C(61) C(36) C(37) -17(55) . . . . yes
C(34) C(61) C(36) C(40) -24(56) . . . . yes
C(34) C(61) C(38) C(60) 174(3) . . . . yes
C(34) C(61) C(38) C(62) -174(2) . . . . yes
C(35) C(34) C(33) C(38) 9(3) . . . . yes
C(35) C(34) C(33) C(60) 4(2) . . . . yes
C(35) C(34) C(33) C(61) 2(1) . . . . yes
C(35) C(34) C(38) C(60) -9(5) . . . . yes
C(35) C(34) C(38) C(61) 1(2) . . . . yes
C(35) C(34) C(38) C(62) 10(3) . . . . yes
C(35) C(34) C(61) C(36) -157(60) . . . . yes
C(35) C(34) C(61) C(38) -176(6) . . . . yes
C(35) C(36) C(37) C(40) -177(2) . . . . yes
C(35) C(36) C(37) C(41) -162(2) . . . . yes
C(35) C(36) C(37) C(60) 0(2) . . . . yes
C(35) C(36) C(37) C(62) -14(3) . . . . yes
C(35) C(36) C(40) C(37) 20(21) . . . . yes
C(35) C(36) C(40) C(41) 13(22) . . . . yes
C(35) C(36) C(61) C(38) 177(3) . . . . yes
C(35) C(61) C(33) C(38) 20(9) . . . . yes
C(35) C(61) C(33) C(60) 14(9) . . . . yes
C(35) C(61) C(34) C(38) 176(6) . . . . yes
C(35) C(61) C(36) C(37) -176(3) . . . . yes
C(35) C(61) C(36) C(40) 176(4) . . . . yes
C(35) C(61) C(38) C(60) -1(5) . . . . yes
C(35) C(61) C(38) C(62) 8(5) . . . . yes
C(36) C(35) C(34) C(38) -1(2) . . . . yes
C(36) C(35) C(34) C(61) 2(6) . . . . yes
C(36) C(35) C(61) C(38) -3(5) . . . . yes
C(36) C(37) C(40) C(41) 168(2) . . . . yes
C(36) C(37) C(41) C(40) -9(2) . . . . yes
C(36) C(37) C(41) C(62) 158(2) . . . . yes
C(36) C(37) C(60) C(38) -3(2) . . . . yes
C(36) C(37) C(60) C(62) -157(2) . . . . yes
C(36) C(37) C(62) C(38) 16(2) . . . . yes
C(36) C(37) C(62) C(41) -154(3) . . . . yes
C(36) C(37) C(62) C(60) 30(3) . . . . yes
C(36) C(40) C(37) C(41) -168(2) . . . . yes
C(36) C(40) C(37) C(60) -8(5) . . . . yes
C(36) C(40) C(37) C(62) -92(10) . . . . yes
C(36) C(40) C(41) C(37) 13(2) . . . . yes
C(36) C(40) C(41) C(62) 2(3) . . . . yes
C(36) C(61) C(33) C(38) 9(3) . . . . yes
C(36) C(61) C(33) C(60) 3(2) . . . . yes
C(36) C(61) C(34) C(38) 19(55) . . . . yes
C(36) C(61) C(38) C(60) -4(3) . . . . yes
C(36) C(61) C(38) C(62) 6(2) . . . . yes
C(37) C(36) C(35) C(61) 3(3) . . . . yes
C(37) C(36) C(40) C(41) -7(1) . . . . yes
C(37) C(36) C(61) C(38) 0(1) . . . . yes
C(37) C(40) C(36) C(61) 8(4) . . . . yes
C(37) C(40) C(41) C(62) -10(1) . . . . yes
C(37) C(41) C(62) C(38) -10(2) . . . . yes
C(37) C(41) C(62) C(60) 7(4) . . . . yes
C(37) C(60) P(1) C(42) 10(1) . . . . yes
C(37) C(60) P(1) C(48) 25(1) . . . . yes
C(37) C(60) P(1) C(62) 18(2) . . . . yes
C(37) C(60) C(33) C(38) -15(5) . . . . yes
C(37) C(60) C(33) C(61) -2(2) . . . . yes
C(37) C(60) C(38) C(61) 4(3) . . . . yes
C(37) C(60) C(38) C(62) -51(6) . . . . yes
C(37) C(60) C(62) C(38) 62(7) . . . . yes
C(37) C(60) C(62) C(41) -4(2) . . . . yes
C(37) C(62) P(1) C(42) 45(4) . . . . yes
C(37) C(62) P(1) C(48) 58(4) . . . . yes
C(37) C(62) P(1) C(60) -127(5) . . . . yes
C(37) C(62) C(38) C(60) 118(7) . . . . yes
C(37) C(62) C(38) C(61) -11(2) . . . . yes
C(37) C(62) C(41) C(40) 10(2) . . . . yes
C(37) C(62) C(60) C(38) -62(7) . . . . yes
C(38) C(33) C(34) C(61) 7(3) . . . . yes
C(38) C(33) C(60) C(62) 76(10) . . . . yes
C(38) C(34) C(33) C(60) -4(2) . . . . yes
C(38) C(34) C(33) C(61) -7(3) . . . . yes
C(38) C(34) C(35) C(61) -3(6) . . . . yes
C(38) C(60) P(1) C(42) -162(2) . . . . yes
C(38) C(60) P(1) C(48) -147(2) . . . . yes
C(38) C(60) P(1) C(62) -154(4) . . . . yes
C(38) C(60) C(33) C(61) 12(4) . . . . yes
C(38) C(60) C(37) C(40) 2(5) . . . . yes
C(38) C(60) C(37) C(41) 160(2) . . . . yes
C(38) C(60) C(37) C(62) 154(3) . . . . yes
C(38) C(60) C(62) C(41) -67(8) . . . . yes
C(38) C(61) C(33) C(60) -6(2) . . . . yes
C(38) C(61) C(36) C(40) -5(4) . . . . yes
C(38) C(62) P(1) C(42) -176(1) . . . . yes
C(38) C(62) P(1) C(48) -162(1) . . . . yes
C(38) C(62) P(1) C(60) 11(2) . . . . yes
C(38) C(62) C(37) C(40) 95(10) . . . . yes
C(38) C(62) C(37) C(41) 171(2) . . . . yes
C(38) C(62) C(37) C(60) -14(2) . . . . yes
C(38) C(62) C(41) C(40) 0(3) . . . . yes
C(40) C(36) C(35) C(61) -15(21) . . . . yes
C(40) C(36) C(37) C(41) 15(3) . . . . yes
C(40) C(36) C(37) C(60) 176(2) . . . . yes
C(40) C(36) C(37) C(62) 162(3) . . . . yes
C(40) C(37) C(36) C(61) -175(2) . . . . yes
C(40) C(37) C(41) C(62) 168(2) . . . . yes
C(40) C(37) C(60) C(62) -151(5) . . . . yes
C(40) C(37) C(62) C(41) -75(10) . . . . yes
C(40) C(37) C(62) C(60) 110(10) . . . . yes
C(40) C(41) C(37) C(60) -171(2) . . . . yes
C(40) C(41) C(37) C(62) -168(2) . . . . yes
C(40) C(41) C(62) C(60) 18(4) . . . . yes
C(41) C(37) C(36) C(61) -160(2) . . . . yes
C(41) C(37) C(60) C(62) 6(3) . . . . yes
C(41) C(37) C(62) C(60) -174(3) . . . . yes
C(41) C(40) C(36) C(61) 0(5) . . . . yes
C(41) C(40) C(37) C(60) 159(5) . . . . yes
C(41) C(40) C(37) C(62) 75(10) . . . . yes
C(41) C(62) P(1) C(42) 13(1) . . . . yes
C(41) C(62) P(1) C(48) 27(2) . . . . yes
C(41) C(62) P(1) C(60) -158(3) . . . . yes
C(41) C(62) C(37) C(60) 174(3) . . . . yes
C(41) C(62) C(38) C(60) 124(7) . . . . yes
C(41) C(62) C(38) C(61) -5(3) . . . . yes
C(42) P(1) C(48) C(43) -9(2) . . . . yes
C(42) P(1) C(48) C(47) 161(5) . . . . yes
C(42) P(1) C(48) C(49) -21(2) . . . . yes
C(42) P(1) C(48) C(53) 163(4) . . . . yes
C(42) P(1) C(60) C(62) -8(2) . . . . yes
C(42) P(1) C(62) C(60) 172(2) . . . . yes
C(42) C(43) C(44) C(45) 8(2) . . . . yes
C(42) C(43) C(44) C(49) 27(3) . . . . yes
C(42) C(43) C(48) C(47) -161(5) . . . . yes
C(42) C(43) C(48) C(49) 166(4) . . . . yes
C(42) C(43) C(48) C(53) -158(5) . . . . yes
C(42) C(43) C(49) C(44) -155(2) . . . . yes
C(42) C(43) C(49) C(45) -137(5) . . . . yes
C(42) C(43) C(49) C(48) -4(1) . . . . yes
C(42) C(47) C(46) C(45) -7(2) . . . . yes
C(42) C(47) C(46) C(51) -31(8) . . . . yes
C(42) C(47) C(46) C(52) -176(2) . . . . yes
C(42) C(47) C(46) C(53) 175(4) . . . . yes
C(42) C(47) C(48) C(43) 58(15) . . . . yes
C(42) C(47) C(48) C(49) 73(16) . . . . yes
C(42) C(47) C(48) C(53) -115(16) . . . . yes
C(42) C(47) C(52) C(46) 6(5) . . . . yes
C(42) C(47) C(52) C(51) -2(5) . . . . yes
C(42) C(47) C(52) C(53) 177(5) . . . . yes
C(42) C(47) C(53) C(46) -173(5) . . . . yes
C(42) C(47) C(53) C(48) 9(2) . . . . yes
C(42) C(47) C(53) C(52) -178(4) . . . . yes
C(42) C(48) P(1) C(60) -59(3) . . . . yes
C(42) C(48) P(1) C(62) -57(3) . . . . yes
C(42) C(48) C(43) C(44) 169(3) . . . . yes
C(42) C(48) C(43) C(49) -166(4) . . . . yes
C(42) C(48) C(47) C(46) -68(17) . . . . yes
C(42) C(48) C(47) C(52) -82(18) . . . . yes
C(42) C(48) C(47) C(53) 115(16) . . . . yes
C(42) C(48) C(49) C(43) 9(3) . . . . yes
C(42) C(48) C(49) C(44) 110(6) . . . . yes
C(42) C(48) C(49) C(45) 156(3) . . . . yes
C(42) C(48) C(53) C(46) -135(10) . . . . yes
C(42) C(48) C(53) C(47) -132(12) . . . . yes
C(42) C(48) C(53) C(52) -141(9) . . . . yes
C(42) C(49) C(43) C(44) 155(2) . . . . yes
C(42) C(49) C(43) C(48) 4(1) . . . . yes
C(42) C(49) C(44) C(43) -50(4) . . . . yes
C(42) C(49) C(44) C(45) 113(5) . . . . yes
C(42) C(49) C(45) C(44) -138(4) . . . . yes
C(42) C(49) C(45) C(46) 20(3) . . . . yes
C(42) C(49) C(45) C(51) 34(4) . . . . yes
C(42) C(49) C(48) C(43) -9(3) . . . . yes
C(42) C(49) C(48) C(47) -165(4) . . . . yes
C(42) C(49) C(48) C(53) -169(3) . . . . yes
C(43) C(42) P(1) C(48) 165(3) . . . . yes
C(43) C(42) P(1) C(60) -68(1) . . . . yes
C(43) C(42) P(1) C(62) -70(1) . . . . yes
C(43) C(42) C(47) C(46) 3(2) . . . . yes
C(43) C(42) C(47) C(48) -112(17) . . . . yes
C(43) C(42) C(47) C(52) 0(4) . . . . yes
C(43) C(42) C(47) C(53) 176(5) . . . . yes
C(43) C(42) C(48) C(47) 71(17) . . . . yes
C(43) C(42) C(48) C(49) -6(2) . . . . yes
C(43) C(42) C(48) C(53) 142(9) . . . . yes
C(43) C(42) C(49) C(44) 53(5) . . . . yes
C(43) C(42) C(49) C(45) 138(4) . . . . yes
C(43) C(42) C(49) C(48) 169(3) . . . . yes
C(43) C(44) C(45) C(46) -13(3) . . . . yes
C(43) C(44) C(45) C(49) 11(2) . . . . yes
C(43) C(44) C(45) C(51) -8(10) . . . . yes
C(43) C(44) C(49) C(45) -163(2) . . . . yes
C(43) C(44) C(49) C(48) -103(6) . . . . yes
C(43) C(48) P(1) C(60) -69(1) . . . . yes
C(43) C(48) P(1) C(62) -66(1) . . . . yes
C(43) C(48) C(42) C(47) -71(17) . . . . yes
C(43) C(48) C(42) C(49) 6(2) . . . . yes
C(43) C(48) C(47) C(46) -9(4) . . . . yes
C(43) C(48) C(47) C(52) -23(8) . . . . yes
C(43) C(48) C(47) C(53) 174(4) . . . . yes
C(43) C(48) C(49) C(44) 100(6) . . . . yes
C(43) C(48) C(49) C(45) 146(4) . . . . yes
C(43) C(48) C(53) C(46) -10(4) . . . . yes
C(43) C(48) C(53) C(47) -7(7) . . . . yes
C(43) C(48) C(53) C(52) -17(5) . . . . yes
C(43) C(49) C(42) C(47) -162(2) . . . . yes
C(43) C(49) C(42) C(48) -169(3) . . . . yes
C(43) C(49) C(44) C(45) 163(2) . . . . yes
C(43) C(49) C(45) C(44) -23(4) . . . . yes
C(43) C(49) C(45) C(46) 135(5) . . . . yes
C(43) C(49) C(45) C(51) 149(5) . . . . yes
C(43) C(49) C(48) C(47) -155(3) . . . . yes
C(43) C(49) C(48) C(53) -159(2) . . . . yes
C(44) C(43) C(42) C(47) -3(2) . . . . yes
C(44) C(43) C(42) C(48) -11(3) . . . . yes
C(44) C(43) C(42) C(49) -23(2) . . . . yes
C(44) C(43) C(48) C(47) 8(3) . . . . yes
C(44) C(43) C(48) C(49) -23(3) . . . . yes
C(44) C(43) C(48) C(53) 11(4) . . . . yes
C(44) C(43) C(49) C(45) 18(3) . . . . yes
C(44) C(43) C(49) C(48) 150(3) . . . . yes
C(44) C(45) C(46) C(47) 13(2) . . . . yes
C(44) C(45) C(46) C(51) 177(4) . . . . yes
C(44) C(45) C(46) C(52) 174(4) . . . . yes
C(44) C(45) C(46) C(53) 14(3) . . . . yes
C(44) C(45) C(49) C(48) -152(3) . . . . yes
C(44) C(45) C(51) C(46) -6(12) . . . . yes
C(44) C(45) C(51) C(52) -5(14) . . . . yes
C(44) C(49) C(42) C(47) -109(6) . . . . yes
C(44) C(49) C(42) C(48) -116(6) . . . . yes
C(44) C(49) C(43) C(48) -150(3) . . . . yes
C(44) C(49) C(45) C(46) 159(2) . . . . yes
C(44) C(49) C(45) C(51) 173(3) . . . . yes
C(44) C(49) C(48) C(47) -54(6) . . . . yes
C(44) C(49) C(48) C(53) -58(6) . . . . yes
C(45) C(44) C(43) C(48) 4(2) . . . . yes
C(45) C(44) C(43) C(49) -18(3) . . . . yes
C(45) C(44) C(49) C(48) 59(5) . . . . yes
C(45) C(46) C(47) C(48) 0(3) . . . . yes
C(45) C(46) C(47) C(52) 169(3) . . . . yes
C(45) C(46) C(47) C(53) 177(3) . . . . yes
C(45) C(46) C(51) C(52) -178(3) . . . . yes
C(45) C(46) C(52) C(47) -163(5) . . . . yes
C(45) C(46) C(52) C(51) 1(4) . . . . yes
C(45) C(46) C(52) C(53) -166(4) . . . . yes
C(45) C(46) C(53) C(47) -3(4) . . . . yes
C(45) C(46) C(53) C(48) -2(3) . . . . yes
C(45) C(46) C(53) C(52) 168(4) . . . . yes
C(45) C(49) C(42) C(47) -23(3) . . . . yes
C(45) C(49) C(42) C(48) -31(3) . . . . yes
C(45) C(49) C(43) C(48) -132(5) . . . . yes
C(45) C(49) C(48) C(47) -8(3) . . . . yes
C(45) C(49) C(48) C(53) -12(3) . . . . yes
C(45) C(51) C(46) C(47) 33(9) . . . . yes
C(45) C(51) C(46) C(52) 178(3) . . . . yes
C(45) C(51) C(46) C(53) 103(17) . . . . yes
C(45) C(51) C(52) C(46) -2(5) . . . . yes
C(45) C(51) C(52) C(47) 8(6) . . . . yes
C(45) C(51) C(52) C(53) 8(7) . . . . yes
C(46) C(45) C(44) C(49) -25(2) . . . . yes
C(46) C(45) C(49) C(48) 6(2) . . . . yes
C(46) C(45) C(51) C(52) 1(3) . . . . yes
C(46) C(47) C(42) C(48) 115(17) . . . . yes
C(46) C(47) C(42) C(49) 14(2) . . . . yes
C(46) C(47) C(48) C(49) 5(3) . . . . yes
C(46) C(47) C(48) C(53) 175(7) . . . . yes
C(46) C(47) C(52) C(51) -9(2) . . . . yes
C(46) C(47) C(52) C(53) 171(4) . . . . yes
C(46) C(47) C(53) C(48) -176(6) . . . . yes
C(46) C(47) C(53) C(52) -4(2) . . . . yes
C(46) C(51) C(45) C(49) -23(4) . . . . yes
C(46) C(51) C(52) C(47) 10(3) . . . . yes
C(46) C(51) C(52) C(53) 11(3) . . . . yes
C(46) C(52) C(47) C(48) 22(7) . . . . yes
C(46) C(52) C(47) C(53) -171(4) . . . . yes
C(46) C(52) C(53) C(47) 6(3) . . . . yes
C(46) C(52) C(53) C(48) 10(3) . . . . yes
C(46) C(53) C(47) C(48) 176(6) . . . . yes
C(46) C(53) C(47) C(52) 4(2) . . . . yes
C(46) C(53) C(48) C(47) -3(5) . . . . yes
C(46) C(53) C(48) C(49) 8(2) . . . . yes
C(46) C(53) C(52) C(47) -6(3) . . . . yes
C(46) C(53) C(52) C(51) -7(2) . . . . yes
C(47) C(42) P(1) C(48) -7(2) . . . . yes
C(47) C(42) P(1) C(60) 119(1) . . . . yes
C(47) C(42) P(1) C(62) 116(1) . . . . yes
C(47) C(42) C(43) C(48) 8(2) . . . . yes
C(47) C(42) C(43) C(49) 19(2) . . . . yes
C(47) C(42) C(48) C(49) -78(16) . . . . yes
C(47) C(42) C(48) C(53) 70(17) . . . . yes
C(47) C(42) C(49) C(48) 7(2) . . . . yes
C(47) C(46) C(45) C(49) -4(2) . . . . yes
C(47) C(46) C(45) C(51) -164(4) . . . . yes
C(47) C(46) C(51) C(52) -144(8) . . . . yes
C(47) C(46) C(52) C(51) 164(4) . . . . yes
C(47) C(46) C(52) C(53) -3(1) . . . . yes
C(47) C(46) C(53) C(48) 1(2) . . . . yes
C(47) C(46) C(53) C(52) 172(3) . . . . yes
C(47) C(48) P(1) C(60) 101(3) . . . . yes
C(47) C(48) P(1) C(62) 103(3) . . . . yes
C(47) C(48) C(42) C(49) 78(16) . . . . yes
C(47) C(48) C(43) C(49) 31(4) . . . . yes
C(47) C(48) C(53) C(52) -9(5) . . . . yes
C(47) C(52) C(46) C(51) -164(4) . . . . yes
C(47) C(52) C(46) C(53) 3(1) . . . . yes
C(47) C(52) C(53) C(48) 3(2) . . . . yes
C(47) C(53) C(46) C(51) -94(18) . . . . yes
C(47) C(53) C(46) C(52) -172(3) . . . . yes
C(47) C(53) C(48) C(49) 11(6) . . . . yes
C(47) C(53) C(52) C(51) 0(4) . . . . yes
C(48) P(1) C(42) C(49) 133(4) . . . . yes
C(48) P(1) C(60) C(62) 6(2) . . . . yes
C(48) P(1) C(62) C(60) -173(2) . . . . yes
C(48) C(42) P(1) C(60) 126(2) . . . . yes
C(48) C(42) P(1) C(62) 123(2) . . . . yes
C(48) C(42) C(43) C(49) 11(3) . . . . yes
C(48) C(42) C(47) C(52) 111(17) . . . . yes
C(48) C(42) C(47) C(53) -71(17) . . . . yes
C(48) C(43) C(42) C(49) -11(3) . . . . yes
C(48) C(43) C(44) C(49) 23(3) . . . . yes
C(48) C(47) C(42) C(49) -100(17) . . . . yes
C(48) C(47) C(46) C(51) -24(8) . . . . yes
C(48) C(47) C(46) C(52) -169(3) . . . . yes
C(48) C(47) C(46) C(53) -177(5) . . . . yes
C(48) C(47) C(52) C(51) 12(7) . . . . yes
C(48) C(47) C(52) C(53) -166(8) . . . . yes
C(48) C(47) C(53) C(52) 171(4) . . . . yes
C(48) C(49) C(45) C(51) 20(3) . . . . yes
C(48) C(53) C(46) C(51) -93(17) . . . . yes
C(48) C(53) C(46) C(52) -170(2) . . . . yes
C(48) C(53) C(47) C(52) -171(4) . . . . yes
C(48) C(53) C(52) C(51) 2(3) . . . . yes
C(49) C(42) P(1) C(60) -99(3) . . . . yes
C(49) C(42) P(1) C(62) -102(3) . . . . yes
C(49) C(42) C(47) C(52) 10(4) . . . . yes
C(49) C(42) C(47) C(53) -172(5) . . . . yes
C(49) C(42) C(48) C(53) 149(10) . . . . yes
C(49) C(43) C(48) C(53) 35(4) . . . . yes
C(49) C(44) C(45) C(51) -20(10) . . . . yes
C(49) C(45) C(46) C(51) 159(4) . . . . yes
C(49) C(45) C(46) C(52) 157(5) . . . . yes
C(49) C(45) C(46) C(53) -3(2) . . . . yes
C(49) C(45) C(51) C(52) -21(7) . . . . yes
C(49) C(48) P(1) C(60) -80(1) . . . . yes
C(49) C(48) P(1) C(62) -78(1) . . . . yes
C(49) C(48) C(47) C(52) -9(7) . . . . yes
C(49) C(48) C(47) C(53) -170(5) . . . . yes
C(49) C(48) C(53) C(52) 2(3) . . . . yes
C(51) C(45) C(46) C(52) -2(5) . . . . yes
C(51) C(45) C(46) C(53) -162(5) . . . . yes
C(51) C(46) C(47) C(52) 144(8) . . . . yes
C(51) C(46) C(47) C(53) 152(7) . . . . yes
C(51) C(46) C(52) C(53) -168(3) . . . . yes
C(51) C(46) C(53) C(52) 77(17) . . . . yes
C(51) C(52) C(46) C(53) 168(3) . . . . yes
C(51) C(52) C(47) C(53) 179(3) . . . . yes
C(52) C(46) C(47) C(53) 7(3) . . . . yes
C(52) C(47) C(46) C(53) -7(3) . . . . yes
C(52) C(47) C(48) C(53) 161(11) . . . . yes
C(52) C(51) C(46) C(53) -75(17) . . . . yes
C(53) C(48) P(1) C(60) 104(1) . . . . yes
C(53) C(48) P(1) C(62) 106(2) . . . . yes
C(54) C(55) C(56) C(59) 2(2) . . . 4_455 yes
C(56) C(55) C(54) C(57) 4(3) . . . 4_455 yes
C(60) C(33) C(34) C(61) 2(2) . . . . yes
C(60) C(33) C(38) C(61) 165(5) . . . . yes
C(60) C(33) C(38) C(62) -12(2) . . . . yes
C(60) C(37) C(36) C(61) 0(1) . . . . yes
C(60) C(37) C(41) C(62) -2(1) . . . . yes
C(60) C(38) C(33) C(61) -165(5) . . . . yes
C(60) C(38) C(34) C(61) -10(6) . . . . yes
C(60) C(62) C(38) C(61) -129(7) . . . . yes
C(61) C(33) C(38) C(62) -177(5) . . . . yes
C(61) C(33) C(60) C(62) 89(9) . . . . yes
C(61) C(34) C(38) C(62) 9(3) . . . . yes
C(61) C(36) C(37) C(62) -13(2) . . . . yes
C(61) C(38) C(60) C(62) 56(7) . . . . yes
C(61) C(38) C(60) C(62) 56(7) . . . . yes
#------------------------------------------------------------------------------
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
F(1) C(10) 3.37(5) . 4_555 ?
F(1) C(11) 3.47(5) . 4_555 ?
F(2) C(23) 3.57(2) . 2_556 ?
F(2) C(10) 3.58(2) . 4_555 ?
F(4) C(12) 3.45(3) . 1_655 ?
F(5) C(12) 3.14(3) . 1_655 ?
F(5) C(11) 3.27(4) . 1_655 ?
F(6) C(10) 3.44(2) . 4_555 ?
F(7) C(10) 3.26(4) . 4_555 ?
F(7) C(12) 3.43(5) . 1_655 ?
C(40) C(45) 3.52(3) . 4_555 ?
C(40) C(44) 3.55(3) . 4_555 ?
C(53) C(59) 3.46(4) . 4_454 ?
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------

# Attachment '- 3-C2H4-Arf Pt3Tr2(Arf)(ethylene)2.cif'

data_usui4
_database_code_depnum_ccdc_archive 'CCDC 773674'
#TrackingRef '- 3-C2H4-Arf Pt3Tr2(Arf)(ethylene)2.cif'

_audit_creation_date             'Fri Feb 6 16:56:49 2009'
_audit_creation_method           'by teXsan'
_audit_update_record             ?
#------------------------------------------------------------------------------

#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C60 H41 B Cl2 F30 Pt3 '
_chemical_formula_moiety         'C60 H41 B Cl2 F30 Pt3 '
_chemical_formula_weight         1998.92
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1 '
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
_cell_length_a                   12.3189(5)
_cell_length_b                   15.2911(6)
_cell_length_c                   16.4704(5)
_cell_angle_alpha                97.219(1)
_cell_angle_beta                 90.674(1)
_cell_angle_gamma                105.503(1)
_cell_volume                     2962.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21420
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.4
_cell_measurement_temperature    123.2
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    7.264
_exptl_absorpt_correction_type   none
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            29229
_diffrn_reflns_av_R_equivalents  0.111
_diffrn_reflns_theta_min         ?
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > 3.0 sigma(F^2^). The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero
for negative F. The threshold expression of F^2^ > 3.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             13421
_reflns_number_gt                11375
_reflns_threshold_expression     >2.0sigma(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0561
_refine_ls_wR_factor_ref         0.1575
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         11375
_refine_ls_number_parameters     892
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_shift/su_max          0.5220
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_diff_density_max         3.35
_refine_diff_density_min         -3.01
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.10694(2) 0.32431(2) 0.40864(2) 0.02064(9) Uani 1.00 d . . .
Pt(2) Pt -0.02766(2) 0.18592(2) 0.29232(2) 0.02365(9) Uani 1.00 d . . .
Pt(3) Pt 0.16308(2) 0.30441(2) 0.24330(2) 0.0284(1) Uani 1.00 d . . .
Cl(1) Cl 0.447(1) 0.3630(10) 0.9522(7) 0.275(5) Uani 1.00 d . . .
Cl(2) Cl 0.2605(7) 0.3667(5) 0.8839(6) 0.203(3) Uani 1.00 d . . .
F(1) F -0.0072(4) 0.2831(4) 0.7480(4) 0.054(1) Uani 1.00 d . . .
F(2) F -0.0007(5) 0.4211(4) 0.8006(3) 0.053(1) Uani 1.00 d . . .
F(3) F -0.1193(4) 0.3523(4) 0.7020(3) 0.043(1) Uani 1.00 d . . .
F(4) F 0.350(1) 0.652(1) 0.673(2) 0.075(6) Uani 0.50 d P . .
F(5) F 0.401(2) 0.563(2) 0.736(1) 0.102(8) Uani 0.50 d P . .
F(6) F 0.440(1) 0.575(2) 0.611(1) 0.086(6) Uani 0.50 d P . .
F(7) F 0.9636(5) 0.0644(6) 0.8868(4) 0.075(2) Uani 1.00 d . . .
F(8) F 1.0737(4) 0.2033(6) 0.8994(5) 0.095(3) Uani 1.00 d . . .
F(9) F 1.0004(4) 0.1484(4) 1.0038(3) 0.052(1) Uani 1.00 d . . .
F(10) F 0.8779(9) 0.4339(6) 1.0401(7) 0.142(4) Uani 1.00 d . . .
F(11) F 0.7066(7) 0.4117(5) 1.0129(5) 0.098(3) Uani 1.00 d . . .
F(12) F 0.8212(8) 0.4680(5) 0.9289(5) 0.090(2) Uani 1.00 d . . .
F(13) F 0.1758(3) 0.1543(4) 0.7435(3) 0.044(1) Uani 1.00 d . . .
F(14) F 0.1926(4) 0.1193(4) 0.6158(3) 0.049(1) Uani 1.00 d . . .
F(15) F 0.1883(4) 0.2549(4) 0.6605(4) 0.052(1) Uani 1.00 d . . .
F(16) F 0.5457(4) 0.4132(4) 0.5664(3) 0.050(1) Uani 1.00 d . . .
F(17) F 0.6917(4) 0.3692(4) 0.5897(4) 0.054(1) Uani 1.00 d . . .
F(18) F 0.6439(5) 0.4629(4) 0.6791(4) 0.064(2) Uani 1.00 d . . .
F(19) F 0.1684(4) 0.0143(5) 0.9710(4) 0.068(2) Uani 1.00 d . . .
F(20) F 0.2885(5) 0.0698(6) 1.0713(3) 0.068(2) Uani 1.00 d . . .
F(21) F 0.2713(5) 0.1484(5) 0.9765(4) 0.070(2) Uani 1.00 d . . .
F(22) F 0.4615(6) -0.2180(4) 0.9599(3) 0.058(2) Uani 1.00 d . . .
F(23) F 0.3252(4) -0.2512(4) 0.8742(5) 0.063(2) Uani 1.00 d . . .
F(24) F 0.4905(5) -0.2244(4) 0.8329(4) 0.066(2) Uani 1.00 d . . .
F(25) F 0.3836(4) -0.1657(5) 0.5812(4) 0.071(2) Uani 1.00 d . . .
F(26) F 0.5170(4) -0.2205(3) 0.5373(4) 0.049(1) Uani 1.00 d . . .
F(27) F 0.4567(5) -0.1348(4) 0.4676(3) 0.055(1) Uani 1.00 d . . .
F(28) F 0.8880(4) 0.0185(3) 0.5024(3) 0.038(1) Uani 1.00 d . . .
F(29) F 0.9449(4) 0.1126(4) 0.6121(3) 0.052(1) Uani 1.00 d . . .
F(30) F 0.8545(4) 0.1502(3) 0.5147(3) 0.043(1) Uani 1.00 d . . .
F(31) F 0.438(1) 0.540(1) 0.662(2) 0.096(8) Uani 0.50 d P . .
F(32) F 0.369(2) 0.638(1) 0.618(1) 0.094(8) Uani 0.50 d P . .
F(33) F 0.345(1) 0.615(1) 0.736(1) 0.081(5) Uani 0.50 d P . .
C(1) C 0.0721(7) 0.4381(5) 0.3564(5) 0.037(2) Uani 1.00 d . . .
C(2) C -0.0253(7) 0.3896(8) 0.3947(5) 0.042(2) Uani 1.00 d . . .
C(3) C -0.1121(7) 0.3122(7) 0.3563(7) 0.050(3) Uani 1.00 d . . .
C(4) C -0.1352(7) 0.2760(6) 0.2766(7) 0.047(2) Uani 1.00 d . . .
C(5) C -0.0667(8) 0.2922(7) 0.2091(6) 0.051(2) Uani 1.00 d . . .
C(6) C 0.0343(8) 0.3629(8) 0.2050(5) 0.048(2) Uani 1.00 d . . .
C(7) C 0.0969(7) 0.4254(6) 0.2715(6) 0.043(2) Uani 1.00 d . . .
C(8) C 0.2319(8) 0.2564(8) 0.4333(6) 0.057(3) Uani 1.00 d . . .
C(9) C 0.1297(7) 0.1902(6) 0.4349(5) 0.036(2) Uani 1.00 d . . .
C(10) C 0.0678(6) 0.1221(5) 0.3718(5) 0.033(2) Uani 1.00 d . . .
C(11) C 0.0948(8) 0.1068(7) 0.2882(6) 0.045(2) Uani 1.00 d . . .
C(12) C 0.1861(9) 0.1579(9) 0.2482(6) 0.059(3) Uani 1.00 d . . .
C(13) C 0.2790(9) 0.235(1) 0.2853(10) 0.087(6) Uani 1.00 d . . .
C(14) C 0.2933(7) 0.2792(8) 0.3650(10) 0.065(4) Uani 1.00 d . . .
C(15) C -0.1816(7) 0.0737(7) 0.3039(6) 0.049(2) Uani 1.00 d . . .
C(16) C -0.1552(8) 0.0684(6) 0.2234(6) 0.046(2) Uani 1.00 d . . .
C(17) C 0.2378(10) 0.3099(8) 0.1200(6) 0.061(3) Uani 1.00 d . . .
C(18) C 0.2992(8) 0.3848(6) 0.1722(6) 0.048(2) Uani 1.00 d . . .
C(19) C 0.1345(5) 0.3887(5) 0.5289(4) 0.022(1) Uani 1.00 d . . .
C(20) C 0.2299(6) 0.4561(5) 0.5558(5) 0.027(1) Uani 1.00 d . . .
C(21) C 0.2478(6) 0.4961(5) 0.6373(5) 0.029(1) Uani 1.00 d . . .
C(22) C 0.1704(6) 0.4694(5) 0.6948(5) 0.030(2) Uani 1.00 d . . .
C(23) C 0.0719(6) 0.4009(5) 0.6687(4) 0.025(1) Uani 1.00 d . . .
C(24) C 0.0532(6) 0.3615(5) 0.5871(4) 0.025(1) Uani 1.00 d . . .
C(25) C -0.0131(7) 0.3654(6) 0.7301(5) 0.033(2) Uani 1.00 d . . .
C(26) C 0.3547(7) 0.5686(6) 0.6646(6) 0.041(2) Uani 1.00 d . . .
C(27) C 0.6976(5) 0.1785(5) 0.8442(4) 0.023(1) Uani 1.00 d . . .
C(28) C 0.7896(6) 0.1406(5) 0.8589(4) 0.027(1) Uani 1.00 d . . .
C(29) C 0.8809(6) 0.1890(6) 0.9109(4) 0.030(2) Uani 1.00 d . . .
C(30) C 0.8875(6) 0.2763(6) 0.9496(5) 0.036(2) Uani 1.00 d . . .
C(31) C 0.7976(6) 0.3129(6) 0.9367(5) 0.033(2) Uani 1.00 d . . .
C(32) C 0.7069(6) 0.2659(6) 0.8853(4) 0.030(2) Uani 1.00 d . . .
C(33) C 0.9773(6) 0.1506(8) 0.9241(5) 0.044(2) Uani 1.00 d . . .
C(34) C 0.8010(8) 0.4078(7) 0.9781(6) 0.046(2) Uani 1.00 d . . .
C(35) C 0.5229(5) 0.1836(5) 0.7445(4) 0.023(1) Uani 1.00 d . . .
C(36) C 0.4067(5) 0.1628(5) 0.7327(4) 0.022(1) Uani 1.00 d . . .
C(37) C 0.3542(5) 0.2154(5) 0.6905(4) 0.024(1) Uani 1.00 d . . .
C(38) C 0.4160(6) 0.2911(5) 0.6574(4) 0.026(1) Uani 1.00 d . . .
C(39) C 0.5323(5) 0.3094(5) 0.6636(5) 0.026(1) Uani 1.00 d . . .
C(40) C 0.5846(5) 0.2598(5) 0.7079(4) 0.024(1) Uani 1.00 d . . .
C(41) C 0.2281(5) 0.1886(5) 0.6804(5) 0.029(2) Uani 1.00 d . . .
C(42) C 0.6034(7) 0.3888(5) 0.6258(5) 0.036(2) Uani 1.00 d . . .
C(43) C 0.5039(5) 0.0497(5) 0.8422(4) 0.020(1) Uani 1.00 d . . .
C(44) C 0.5044(5) -0.0403(5) 0.8442(4) 0.023(1) Uani 1.00 d . . .
C(45) C 0.4300(5) -0.0975(5) 0.8935(4) 0.021(1) Uani 1.00 d . . .
C(46) C 0.3582(5) -0.0625(5) 0.9422(4) 0.025(1) Uani 1.00 d . . .
C(47) C 0.3580(6) 0.0281(5) 0.9424(4) 0.026(1) Uani 1.00 d . . .
C(48) C 0.4301(5) 0.0825(5) 0.8944(4) 0.023(1) Uani 1.00 d . . .
C(49) C 0.4284(5) -0.1956(5) 0.8895(4) 0.026(1) Uani 1.00 d . . .
C(50) C 0.2736(6) 0.0651(6) 0.9909(4) 0.029(2) Uani 1.00 d . . .
C(51) C 0.6227(5) 0.0595(5) 0.7049(4) 0.023(1) Uani 1.00 d . . .
C(52) C 0.5446(5) -0.0168(5) 0.6613(4) 0.022(1) Uani 1.00 d . . .
C(53) C 0.5671(5) -0.0635(5) 0.5882(4) 0.023(1) Uani 1.00 d . . .
C(54) C 0.6712(5) -0.0346(5) 0.5541(4) 0.022(1) Uani 1.00 d . . .
C(55) C 0.7490(5) 0.0423(5) 0.5942(4) 0.024(1) Uani 1.00 d . . .
C(56) C 0.7266(5) 0.0866(5) 0.6681(4) 0.025(1) Uani 1.00 d . . .
C(57) C 0.4820(5) -0.1451(5) 0.5454(5) 0.028(1) Uani 1.00 d . . .
C(58) C 0.8587(6) 0.0797(5) 0.5563(5) 0.030(2) Uani 1.00 d . . .
C(59) C 0.488(1) 0.423(1) 0.867(1) 0.090(5) Uani 1.00 d . . .
C(60) C 0.398(2) 0.452(1) 0.853(1) 0.127(7) Uani 1.00 d . . .
B(1) B 0.5886(6) 0.1182(6) 0.7860(5) 0.023(1) Uani 1.00 d . . .
H(1) H 0.7882 0.0803 0.8313 0.0333 Uiso 1.00 calc . . .
H(2) H 0.9520 0.3106 0.9844 0.0422 Uiso 1.00 calc . . .
H(3) H 0.6481 0.2944 0.8771 0.0355 Uiso 1.00 calc . . .
H(4) H 0.3610 0.1107 0.7542 0.0259 Uiso 1.00 calc . . .
H(5) H 0.3798 0.3293 0.6313 0.0303 Uiso 1.00 calc . . .
H(6) H 0.6654 0.2779 0.7141 0.0298 Uiso 1.00 calc . . .
H(7) H 0.5559 -0.0648 0.8121 0.0274 Uiso 1.00 calc . . .
H(8) H 0.3084 -0.0997 0.9761 0.0305 Uiso 1.00 calc . . .
H(9) H 0.4296 0.1455 0.8971 0.0271 Uiso 1.00 calc . . .
H(10) H 0.4720 -0.0384 0.6829 0.0271 Uiso 1.00 calc . . .
H(11) H 0.6883 -0.0672 0.5040 0.0264 Uiso 1.00 calc . . .
H(12) H 0.7845 0.1380 0.6952 0.0290 Uiso 1.00 calc . . .
H(13) H 0.2861 0.4772 0.5178 0.0323 Uiso 1.00 calc . . .
H(14) H 0.1837 0.4964 0.7509 0.0338 Uiso 1.00 calc . . .
H(15) H -0.0165 0.3158 0.5702 0.0296 Uiso 1.00 calc . . .
H(16) H 0.5546 0.4722 0.8788 0.1055 Uiso 1.00 calc . . .
H(17) H 0.4994 0.3829 0.8205 0.1055 Uiso 1.00 calc . . .
H(18) H 0.3922 0.4604 0.7978 0.1505 Uiso 1.00 calc . . .
H(19) H 0.4082 0.5112 0.8866 0.1505 Uiso 1.00 calc . . .
H(20) H -0.1621 0.2810 0.3950 0.0593 Uiso 1.00 calc . . .
H(21) H 0.3549 0.3340 0.3742 0.0776 Uiso 1.00 calc . . .
H(22) H 0.1271 0.4849 0.3918 0.0444 Uiso 1.00 calc . . .
H(23) H -0.0330 0.4106 0.4516 0.0508 Uiso 1.00 calc . . .
H(24) H -0.2084 0.2339 0.2645 0.0590 Uiso 1.00 calc . . .
H(25) H -0.0913 0.2489 0.1591 0.0608 Uiso 1.00 calc . . .
H(26) H 0.0632 0.3705 0.1514 0.0575 Uiso 1.00 calc . . .
H(27) H 0.1668 0.4646 0.2560 0.0521 Uiso 1.00 calc . . .
H(28) H 0.2624 0.2899 0.4861 0.0669 Uiso 1.00 calc . . .
H(29) H 0.0949 0.1902 0.4873 0.0434 Uiso 1.00 calc . . .
H(30) H -0.0001 0.0810 0.3875 0.0395 Uiso 1.00 calc . . .
H(31) H 0.0429 0.0548 0.2552 0.0533 Uiso 1.00 calc . . .
H(32) H 0.1890 0.1404 0.1898 0.0702 Uiso 1.00 calc . . .
H(33) H 0.3375 0.2573 0.2486 0.1091 Uiso 1.00 calc . . .
H(35) H 0.2611 0.2496 0.0977 0.0912 Uiso 1.00 calc . . .
H(36) H 0.1809 0.3258 0.0918 0.0912 Uiso 1.00 calc . . .
H(37) H 0.3610 0.3799 0.2057 0.0604 Uiso 1.00 calc . . .
H(38) H 0.2818 0.4421 0.1757 0.0604 Uiso 1.00 calc . . .
H(39) H -0.1637 0.1125 0.1892 0.0558 Uiso 1.00 calc . . .
H(42) H -0.1268 0.0157 0.2027 0.0912 Uiso 1.00 calc . . .
H(43) H -0.1749 0.0304 0.3395 0.0599 Uiso 1.00 calc . . .
H(44) H -0.2090 0.1285 0.3232 0.0912 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.0193(1) 0.0205(2) 0.0213(2) 0.0042(1) -0.0007(1) 0.0024(1)
Pt(2) 0.0213(1) 0.0228(2) 0.0235(2) 0.0005(1) -0.0046(1) 0.0031(1)
Pt(3) 0.0295(2) 0.0282(2) 0.0235(2) 0.0013(1) 0.0057(1) 0.0025(1)
Cl(1) 0.30(1) 0.34(1) 0.201(10) 0.14(1) -0.008(9) 0.001(10)
Cl(2) 0.182(7) 0.134(5) 0.258(10) -0.001(5) 0.009(6) -0.011(6)
F(1) 0.059(3) 0.054(3) 0.063(4) 0.028(3) 0.030(3) 0.036(3)
F(2) 0.062(3) 0.066(4) 0.030(3) 0.017(3) 0.019(2) 0.000(3)
F(3) 0.026(2) 0.058(3) 0.047(3) 0.008(2) 0.010(2) 0.021(3)
F(4) 0.033(7) 0.029(6) 0.16(2) 0.008(5) -0.01(1) -0.01(1)
F(5) 0.06(1) 0.14(2) 0.08(1) -0.03(1) -0.050(9) 0.05(1)
F(6) 0.038(8) 0.09(1) 0.09(1) -0.035(8) 0.026(8) -0.043(9)
F(7) 0.057(4) 0.123(6) 0.057(4) 0.063(4) -0.024(3) -0.027(4)
F(8) 0.021(3) 0.175(8) 0.113(6) 0.033(4) 0.018(3) 0.086(6)
F(9) 0.050(3) 0.081(4) 0.033(3) 0.028(3) -0.015(2) 0.009(3)
F(10) 0.151(8) 0.097(6) 0.159(10) 0.053(6) -0.106(8) -0.082(6)
F(11) 0.103(6) 0.059(4) 0.113(6) 0.005(4) 0.051(5) -0.027(4)
F(12) 0.151(7) 0.047(4) 0.074(5) 0.025(4) 0.039(5) 0.017(4)
F(13) 0.019(2) 0.075(4) 0.041(3) 0.009(2) 0.002(2) 0.022(3)
F(14) 0.027(2) 0.061(3) 0.052(3) 0.006(2) -0.010(2) -0.011(3)
F(15) 0.034(2) 0.054(3) 0.083(4) 0.023(2) 0.002(2) 0.032(3)
F(16) 0.046(3) 0.047(3) 0.059(3) 0.006(2) 0.000(2) 0.035(3)
F(17) 0.035(3) 0.060(3) 0.072(4) 0.009(2) 0.022(3) 0.035(3)
F(18) 0.077(4) 0.040(3) 0.054(4) -0.022(3) -0.003(3) 0.008(3)
F(19) 0.022(2) 0.103(5) 0.070(4) 0.017(3) 0.007(2) -0.029(4)
F(20) 0.063(4) 0.143(6) 0.022(2) 0.071(4) 0.000(2) 0.000(3)
F(21) 0.075(4) 0.083(4) 0.082(5) 0.060(4) 0.042(4) 0.035(4)
F(22) 0.103(5) 0.035(3) 0.037(3) 0.020(3) -0.025(3) 0.003(2)
F(23) 0.030(3) 0.041(3) 0.114(5) 0.003(2) -0.012(3) 0.007(3)
F(24) 0.090(4) 0.038(3) 0.074(4) 0.022(3) 0.049(4) 0.013(3)
F(25) 0.025(2) 0.079(4) 0.078(4) -0.020(3) 0.015(3) -0.033(3)
F(26) 0.047(3) 0.029(2) 0.069(4) 0.011(2) -0.020(3) -0.002(2)
F(27) 0.071(4) 0.046(3) 0.038(3) 0.001(3) -0.030(3) 0.003(2)
F(28) 0.030(2) 0.042(3) 0.041(3) 0.012(2) 0.015(2) 0.001(2)
F(29) 0.019(2) 0.084(4) 0.043(3) 0.000(2) 0.003(2) 0.004(3)
F(30) 0.035(2) 0.042(3) 0.058(3) 0.009(2) 0.019(2) 0.027(3)
F(31) 0.016(6) 0.051(9) 0.21(3) 0.012(6) -0.03(1) -0.02(1)
F(32) 0.08(1) 0.06(1) 0.11(2) -0.05(1) -0.01(1) 0.04(1)
F(33) 0.048(8) 0.08(1) 0.07(1) -0.030(8) 0.008(8) -0.048(9)
C(1) 0.033(4) 0.030(4) 0.044(5) 0.006(3) -0.015(3) 0.004(4)
C(2) 0.030(4) 0.076(7) 0.026(4) 0.027(4) -0.005(3) 0.005(4)
C(3) 0.030(4) 0.058(6) 0.075(7) 0.020(4) 0.005(4) 0.035(6)
C(4) 0.023(4) 0.037(5) 0.081(7) 0.011(3) -0.014(4) 0.001(5)
C(5) 0.052(5) 0.057(6) 0.048(5) 0.030(5) -0.019(4) -0.010(5)
C(6) 0.055(5) 0.076(7) 0.023(4) 0.031(5) 0.000(4) 0.018(5)
C(7) 0.034(4) 0.031(4) 0.065(6) 0.002(3) -0.002(4) 0.027(4)
C(8) 0.036(5) 0.078(7) 0.056(6) 0.037(5) -0.032(4) -0.040(5)
C(9) 0.042(4) 0.048(5) 0.028(4) 0.032(4) -0.005(3) 0.005(4)
C(10) 0.028(4) 0.028(4) 0.047(5) 0.009(3) 0.000(3) 0.018(4)
C(11) 0.047(5) 0.049(5) 0.043(5) 0.031(4) -0.010(4) -0.018(4)
C(12) 0.062(6) 0.107(9) 0.030(4) 0.063(7) 0.004(4) 0.009(5)
C(13) 0.035(5) 0.15(1) 0.12(1) 0.061(7) 0.048(7) 0.11(1)
C(14) 0.016(4) 0.052(6) 0.13(1) 0.006(4) 0.003(5) 0.030(7)
C(15) 0.033(4) 0.045(5) 0.058(6) -0.013(4) -0.003(4) 0.010(5)
C(16) 0.048(5) 0.030(4) 0.050(5) -0.001(4) -0.010(4) -0.008(4)
C(17) 0.077(7) 0.065(7) 0.037(5) 0.005(5) 0.029(5) 0.011(5)
C(18) 0.061(6) 0.041(5) 0.034(4) -0.005(4) 0.022(4) 0.008(4)
C(19) 0.022(3) 0.022(3) 0.022(3) 0.009(3) -0.003(3) -0.001(3)
C(20) 0.032(4) 0.026(3) 0.027(4) 0.011(3) 0.008(3) 0.007(3)
C(21) 0.032(4) 0.020(3) 0.033(4) 0.006(3) 0.002(3) -0.001(3)
C(22) 0.035(4) 0.027(4) 0.028(4) 0.015(3) -0.006(3) -0.006(3)
C(23) 0.025(3) 0.023(3) 0.029(4) 0.008(3) 0.000(3) 0.004(3)
C(24) 0.020(3) 0.025(3) 0.027(4) 0.007(3) -0.007(3) -0.002(3)
C(25) 0.040(4) 0.036(4) 0.029(4) 0.018(3) 0.010(3) 0.002(3)
C(26) 0.032(4) 0.038(4) 0.048(5) 0.009(4) -0.009(4) -0.012(4)
C(27) 0.014(3) 0.039(4) 0.016(3) 0.005(3) 0.001(2) 0.009(3)
C(28) 0.023(3) 0.041(4) 0.015(3) 0.006(3) 0.002(3) 0.004(3)
C(29) 0.019(3) 0.054(5) 0.016(3) 0.009(3) -0.003(3) 0.002(3)
C(30) 0.024(3) 0.057(5) 0.022(4) 0.000(3) -0.010(3) 0.010(4)
C(31) 0.030(4) 0.038(4) 0.026(4) 0.000(3) 0.006(3) 0.001(3)
C(32) 0.024(3) 0.041(4) 0.022(3) 0.007(3) -0.001(3) 0.003(3)
C(33) 0.028(4) 0.081(7) 0.025(4) 0.015(4) -0.004(3) 0.019(5)
C(34) 0.043(5) 0.049(5) 0.038(5) 0.002(4) -0.010(4) -0.005(4)
C(35) 0.019(3) 0.034(4) 0.019(3) 0.009(3) 0.003(2) 0.005(3)
C(36) 0.017(3) 0.027(3) 0.021(3) 0.003(2) 0.001(2) 0.012(3)
C(37) 0.018(3) 0.030(4) 0.026(3) 0.006(3) -0.001(3) 0.008(3)
C(38) 0.028(3) 0.025(3) 0.026(4) 0.007(3) 0.004(3) 0.008(3)
C(39) 0.020(3) 0.025(3) 0.033(4) 0.002(3) 0.000(3) 0.011(3)
C(40) 0.018(3) 0.026(3) 0.026(3) 0.001(3) -0.004(3) 0.003(3)
C(41) 0.018(3) 0.036(4) 0.036(4) 0.010(3) -0.007(3) 0.009(3)
C(42) 0.039(4) 0.029(4) 0.037(4) -0.002(3) 0.000(3) 0.017(4)
C(43) 0.017(3) 0.031(3) 0.014(3) 0.008(3) -0.005(2) 0.003(3)
C(44) 0.014(3) 0.039(4) 0.018(3) 0.009(3) -0.001(2) 0.005(3)
C(45) 0.020(3) 0.028(3) 0.015(3) 0.007(3) -0.001(2) 0.006(3)
C(46) 0.021(3) 0.033(4) 0.020(3) 0.004(3) -0.004(3) 0.008(3)
C(47) 0.023(3) 0.039(4) 0.019(3) 0.013(3) -0.004(3) 0.002(3)
C(48) 0.020(3) 0.029(3) 0.019(3) 0.008(3) -0.004(2) 0.003(3)
C(49) 0.020(3) 0.037(4) 0.023(3) 0.006(3) 0.002(3) 0.007(3)
C(50) 0.023(3) 0.047(4) 0.018(3) 0.011(3) -0.001(3) 0.003(3)
C(51) 0.015(3) 0.033(4) 0.024(3) 0.007(3) 0.001(2) 0.016(3)
C(52) 0.019(3) 0.033(4) 0.017(3) 0.007(3) 0.002(2) 0.011(3)
C(53) 0.019(3) 0.024(3) 0.026(3) 0.005(3) 0.003(3) 0.008(3)
C(54) 0.024(3) 0.026(3) 0.016(3) 0.005(3) 0.001(2) 0.004(3)
C(55) 0.018(3) 0.031(4) 0.027(3) 0.007(3) 0.004(3) 0.016(3)
C(56) 0.017(3) 0.035(4) 0.023(3) 0.005(3) -0.001(3) 0.007(3)
C(57) 0.019(3) 0.029(4) 0.031(4) 0.002(3) -0.001(3) 0.000(3)
C(58) 0.023(3) 0.038(4) 0.027(4) 0.005(3) 0.005(3) 0.000(3)
C(59) 0.061(7) 0.11(1) 0.10(1) 0.016(8) 0.040(7) 0.038(10)
C(60) 0.10(1) 0.11(1) 0.17(2) 0.04(1) 0.03(1) -0.04(1)
B(1) 0.024(3) 0.029(4) 0.017(3) 0.008(3) 0.000(3) 0.006(3)
#------------------------------------------------------------------------------
_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_computing_structure_refinement  SHELXL97
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) Pt(2) 2.8157(4) . . yes
Pt(1) Pt(3) 2.8170(5) . . yes
Pt(1) C(1) 2.172(9) . . yes
Pt(1) C(2) 2.15(1) . . yes
Pt(1) C(8) 2.14(1) . . yes
Pt(1) C(9) 2.236(10) . . yes
Pt(1) C(19) 2.080(6) . . yes
Pt(2) Pt(3) 2.7554(4) . . yes
Pt(2) C(4) 2.18(1) . . yes
Pt(2) C(5) 2.39(1) . . yes
Pt(2) C(10) 2.225(9) . . yes
Pt(2) C(11) 2.17(1) . . yes
Pt(2) C(15) 2.220(8) . . yes
Pt(2) C(16) 2.219(8) . . yes
Pt(3) C(6) 2.14(1) . . yes
Pt(3) C(7) 2.214(9) . . yes
Pt(3) C(12) 2.34(1) . . yes
Pt(3) C(13) 2.15(2) . . yes
Pt(3) C(17) 2.24(1) . . yes
Pt(3) C(18) 2.236(9) . . yes
Cl(1) C(59) 1.77(2) . . yes
Cl(2) C(60) 1.96(2) . . yes
F(1) C(25) 1.35(1) . . yes
F(2) C(25) 1.332(9) . . yes
F(3) C(25) 1.338(9) . . yes
F(4) F(32) 0.96(4) . . yes
F(4) F(33) 1.23(4) . . yes
F(4) C(26) 1.28(2) . . yes
F(5) F(31) 1.35(4) . . yes
F(5) F(33) 1.18(4) . . yes
F(5) C(26) 1.33(2) . . yes
F(6) F(31) 1.05(4) . . yes
F(6) F(32) 1.46(3) . . yes
F(6) C(26) 1.38(2) . . yes
F(7) C(33) 1.35(1) . . yes
F(8) C(33) 1.35(1) . . yes
F(9) C(33) 1.35(1) . . yes
F(10) C(34) 1.33(1) . . yes
F(11) C(34) 1.31(1) . . yes
F(12) C(34) 1.28(1) . . yes
F(13) C(41) 1.320(9) . . yes
F(14) C(41) 1.380(9) . . yes
F(15) C(41) 1.31(1) . . yes
F(16) C(42) 1.35(1) . . yes
F(17) C(42) 1.33(1) . . yes
F(18) C(42) 1.319(9) . . yes
F(19) C(50) 1.334(8) . . yes
F(20) C(50) 1.324(9) . . yes
F(21) C(50) 1.33(1) . . yes
F(22) C(49) 1.339(10) . . yes
F(23) C(49) 1.328(7) . . yes
F(24) C(49) 1.319(10) . . yes
F(25) C(57) 1.332(9) . . yes
F(26) C(57) 1.327(10) . . yes
F(27) C(57) 1.354(10) . . yes
F(28) C(58) 1.332(9) . . yes
F(29) C(58) 1.343(8) . . yes
F(30) C(58) 1.36(1) . . yes
F(31) C(26) 1.22(2) . . yes
F(32) C(26) 1.37(3) . . yes
F(33) C(26) 1.31(2) . . yes
C(1) C(2) 1.43(1) . . yes
C(1) C(7) 1.44(1) . . yes
C(2) C(3) 1.44(1) . . yes
C(3) C(4) 1.36(2) . . yes
C(4) C(5) 1.41(1) . . yes
C(5) C(6) 1.42(1) . . yes
C(6) C(7) 1.42(1) . . yes
C(8) C(9) 1.39(1) . . yes
C(8) C(14) 1.39(2) . . yes
C(9) C(10) 1.43(1) . . yes
C(10) C(11) 1.43(1) . . yes
C(11) C(12) 1.41(1) . . yes
C(12) C(13) 1.47(2) . . yes
C(13) C(14) 1.38(2) . . yes
C(15) C(16) 1.37(1) . . yes
C(17) C(18) 1.38(1) . . yes
C(19) C(20) 1.367(9) . . yes
C(19) C(24) 1.411(10) . . yes
C(20) C(21) 1.39(1) . . yes
C(21) C(22) 1.37(1) . . yes
C(21) C(26) 1.499(10) . . yes
C(22) C(23) 1.397(9) . . yes
C(23) C(24) 1.390(10) . . yes
C(23) C(25) 1.51(1) . . yes
C(27) C(28) 1.43(1) . . yes
C(27) C(32) 1.40(1) . . yes
C(27) B(1) 1.630(9) . . yes
C(28) C(29) 1.386(9) . . yes
C(29) C(30) 1.39(1) . . yes
C(29) C(33) 1.48(1) . . yes
C(30) C(31) 1.39(1) . . yes
C(31) C(32) 1.370(9) . . yes
C(31) C(34) 1.51(1) . . yes
C(35) C(36) 1.387(9) . . yes
C(35) C(40) 1.418(10) . . yes
C(35) B(1) 1.65(1) . . yes
C(36) C(37) 1.40(1) . . yes
C(37) C(38) 1.383(10) . . yes
C(37) C(41) 1.499(9) . . yes
C(38) C(39) 1.384(9) . . yes
C(39) C(40) 1.38(1) . . yes
C(39) C(42) 1.50(1) . . yes
C(43) C(44) 1.38(1) . . yes
C(43) C(48) 1.403(10) . . yes
C(43) B(1) 1.651(10) . . yes
C(44) C(45) 1.426(9) . . yes
C(45) C(46) 1.37(1) . . yes
C(45) C(49) 1.49(1) . . yes
C(46) C(47) 1.38(1) . . yes
C(47) C(48) 1.377(10) . . yes
C(47) C(50) 1.50(1) . . yes
C(51) C(52) 1.405(8) . . yes
C(51) C(56) 1.404(9) . . yes
C(51) B(1) 1.64(1) . . yes
C(52) C(53) 1.390(10) . . yes
C(53) C(54) 1.390(9) . . yes
C(53) C(57) 1.489(9) . . yes
C(54) C(55) 1.387(8) . . yes
C(55) C(56) 1.386(10) . . yes
C(55) C(58) 1.497(9) . . yes
C(59) C(60) 1.33(3) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt(2) Pt(1) Pt(3) 58.573(10) . . . yes
Pt(2) Pt(1) C(1) 95.9(2) . . . yes
Pt(2) Pt(1) C(2) 83.5(2) . . . yes
Pt(2) Pt(1) C(8) 97.9(3) . . . yes
Pt(2) Pt(1) C(9) 72.1(2) . . . yes
Pt(2) Pt(1) C(19) 148.7(2) . . . yes
Pt(3) Pt(1) C(1) 73.7(2) . . . yes
Pt(3) Pt(1) C(2) 98.0(2) . . . yes
Pt(3) Pt(1) C(8) 87.2(3) . . . yes
Pt(3) Pt(1) C(9) 95.8(2) . . . yes
Pt(3) Pt(1) C(19) 152.7(2) . . . yes
C(1) Pt(1) C(2) 38.7(3) . . . yes
C(1) Pt(1) C(8) 145.8(3) . . . yes
C(1) Pt(1) C(9) 167.3(3) . . . yes
C(1) Pt(1) C(19) 96.3(3) . . . yes
C(2) Pt(1) C(8) 174.6(4) . . . yes
C(2) Pt(1) C(9) 139.9(3) . . . yes
C(2) Pt(1) C(19) 88.3(3) . . . yes
C(8) Pt(1) C(9) 37.1(3) . . . yes
C(8) Pt(1) C(19) 87.9(3) . . . yes
C(9) Pt(1) C(19) 96.2(3) . . . yes
Pt(1) Pt(2) Pt(3) 60.74(1) . . . yes
Pt(1) Pt(2) C(4) 88.8(2) . . . yes
Pt(1) Pt(2) C(5) 93.6(2) . . . yes
Pt(1) Pt(2) C(10) 71.4(2) . . . yes
Pt(1) Pt(2) C(11) 92.1(2) . . . yes
Pt(1) Pt(2) C(15) 131.9(3) . . . yes
Pt(1) Pt(2) C(16) 167.8(3) . . . yes
Pt(3) Pt(2) C(4) 94.2(2) . . . yes
Pt(3) Pt(2) C(5) 66.3(2) . . . yes
Pt(3) Pt(2) C(10) 94.1(2) . . . yes
Pt(3) Pt(2) C(11) 77.0(2) . . . yes
Pt(3) Pt(2) C(15) 167.2(3) . . . yes
Pt(3) Pt(2) C(16) 131.5(3) . . . yes
C(4) Pt(2) C(5) 35.5(4) . . . yes
C(4) Pt(2) C(10) 151.1(4) . . . yes
C(4) Pt(2) C(11) 169.2(4) . . . yes
C(4) Pt(2) C(15) 88.8(3) . . . yes
C(4) Pt(2) C(16) 90.5(3) . . . yes
C(5) Pt(2) C(10) 159.9(3) . . . yes
C(5) Pt(2) C(11) 133.7(4) . . . yes
C(5) Pt(2) C(15) 111.0(4) . . . yes
C(5) Pt(2) C(16) 92.9(3) . . . yes
C(10) Pt(2) C(11) 37.8(3) . . . yes
C(10) Pt(2) C(15) 89.2(3) . . . yes
C(10) Pt(2) C(16) 104.4(3) . . . yes
C(11) Pt(2) C(15) 98.5(4) . . . yes
C(11) Pt(2) C(16) 90.9(3) . . . yes
C(15) Pt(2) C(16) 35.9(4) . . . yes
Pt(1) Pt(3) Pt(2) 60.69(1) . . . yes
Pt(1) Pt(3) C(6) 92.8(2) . . . yes
Pt(1) Pt(3) C(7) 69.6(3) . . . yes
Pt(1) Pt(3) C(12) 92.9(2) . . . yes
Pt(1) Pt(3) C(13) 84.7(4) . . . yes
Pt(1) Pt(3) C(17) 169.0(3) . . . yes
Pt(1) Pt(3) C(18) 133.3(2) . . . yes
Pt(2) Pt(3) C(6) 78.7(3) . . . yes
Pt(2) Pt(3) C(7) 93.4(2) . . . yes
Pt(2) Pt(3) C(12) 67.9(3) . . . yes
Pt(2) Pt(3) C(13) 95.6(4) . . . yes
Pt(2) Pt(3) C(17) 130.3(3) . . . yes
Pt(2) Pt(3) C(18) 165.6(2) . . . yes
C(6) Pt(3) C(7) 38.1(3) . . . yes
C(6) Pt(3) C(12) 137.6(4) . . . yes
C(6) Pt(3) C(13) 174.3(4) . . . yes
C(6) Pt(3) C(17) 91.0(4) . . . yes
C(6) Pt(3) C(18) 95.8(4) . . . yes
C(7) Pt(3) C(12) 159.4(3) . . . yes
C(7) Pt(3) C(13) 143.9(5) . . . yes
C(7) Pt(3) C(17) 108.0(4) . . . yes
C(7) Pt(3) C(18) 90.2(4) . . . yes
C(12) Pt(3) C(13) 37.8(4) . . . yes
C(12) Pt(3) C(17) 91.2(4) . . . yes
C(12) Pt(3) C(18) 110.1(4) . . . yes
C(13) Pt(3) C(17) 92.4(5) . . . yes
C(13) Pt(3) C(18) 89.6(5) . . . yes
C(17) Pt(3) C(18) 35.8(3) . . . yes
F(32) F(4) F(33) 135(2) . . . yes
F(32) F(4) C(26) 73(1) . . . yes
F(33) F(4) C(26) 62(1) . . . yes
F(31) F(5) F(33) 113(2) . . . yes
F(31) F(5) C(26) 54(1) . . . yes
F(33) F(5) C(26) 62(1) . . . yes
F(31) F(6) F(32) 113(2) . . . yes
F(31) F(6) C(26) 58(1) . . . yes
F(32) F(6) C(26) 57(1) . . . yes
F(5) F(31) F(6) 125(2) . . . yes
F(5) F(31) C(26) 61(1) . . . yes
F(6) F(31) C(26) 73(1) . . . yes
F(4) F(32) F(6) 111(2) . . . yes
F(4) F(32) C(26) 64(1) . . . yes
F(6) F(32) C(26) 58(1) . . . yes
F(4) F(33) F(5) 115(2) . . . yes
F(4) F(33) C(26) 60(1) . . . yes
F(5) F(33) C(26) 64(1) . . . yes
Pt(1) C(1) C(2) 69.8(6) . . . yes
Pt(1) C(1) C(7) 105.8(6) . . . yes
C(2) C(1) C(7) 127.2(7) . . . yes
Pt(1) C(2) C(1) 71.6(5) . . . yes
Pt(1) C(2) C(3) 99.5(7) . . . yes
C(1) C(2) C(3) 126.0(8) . . . yes
C(2) C(3) C(4) 131.2(9) . . . yes
Pt(2) C(4) C(3) 89.0(7) . . . yes
Pt(2) C(4) C(5) 80.2(7) . . . yes
C(3) C(4) C(5) 128.9(8) . . . yes
Pt(2) C(5) C(4) 64.3(6) . . . yes
Pt(2) C(5) C(6) 108.4(7) . . . yes
C(4) C(5) C(6) 128.1(8) . . . yes
Pt(3) C(6) C(5) 103.3(8) . . . yes
Pt(3) C(6) C(7) 73.6(6) . . . yes
C(5) C(6) C(7) 127.1(8) . . . yes
Pt(3) C(7) C(1) 110.8(7) . . . yes
Pt(3) C(7) C(6) 68.3(6) . . . yes
C(1) C(7) C(6) 130.1(7) . . . yes
Pt(1) C(8) C(9) 75.4(6) . . . yes
Pt(1) C(8) C(14) 95.1(8) . . . yes
C(9) C(8) C(14) 127.3(9) . . . yes
Pt(1) C(9) C(8) 67.5(6) . . . yes
Pt(1) C(9) C(10) 107.0(6) . . . yes
C(8) C(9) C(10) 130.5(8) . . . yes
Pt(2) C(10) C(9) 109.2(6) . . . yes
Pt(2) C(10) C(11) 68.9(6) . . . yes
C(9) C(10) C(11) 127.8(7) . . . yes
Pt(2) C(11) C(10) 73.3(6) . . . yes
Pt(2) C(11) C(12) 104.5(8) . . . yes
C(10) C(11) C(12) 128.0(8) . . . yes
Pt(3) C(12) C(11) 108.7(9) . . . yes
Pt(3) C(12) C(13) 63.8(9) . . . yes
C(11) C(12) C(13) 127.2(10) . . . yes
Pt(3) C(13) C(12) 78.3(8) . . . yes
Pt(3) C(13) C(14) 96.3(10) . . . yes
C(12) C(13) C(14) 128(1) . . . yes
C(8) C(14) C(13) 129.8(9) . . . yes
Pt(2) C(15) C(16) 72.0(5) . . . yes
Pt(2) C(16) C(15) 72.1(5) . . . yes
Pt(3) C(17) C(18) 71.9(6) . . . yes
Pt(3) C(18) C(17) 72.3(6) . . . yes
Pt(1) C(19) C(20) 122.9(5) . . . yes
Pt(1) C(19) C(24) 119.8(4) . . . yes
C(20) C(19) C(24) 117.3(6) . . . yes
C(19) C(20) C(21) 121.8(7) . . . yes
C(20) C(21) C(22) 121.6(6) . . . yes
C(20) C(21) C(26) 120.1(7) . . . yes
C(22) C(21) C(26) 118.3(7) . . . yes
C(21) C(22) C(23) 117.6(7) . . . yes
C(22) C(23) C(24) 120.9(6) . . . yes
C(22) C(23) C(25) 119.8(6) . . . yes
C(24) C(23) C(25) 119.2(6) . . . yes
C(19) C(24) C(23) 120.8(6) . . . yes
F(1) C(25) F(2) 107.3(7) . . . yes
F(1) C(25) F(3) 105.3(6) . . . yes
F(1) C(25) C(23) 111.6(7) . . . yes
F(2) C(25) F(3) 106.4(7) . . . yes
F(2) C(25) C(23) 113.3(6) . . . yes
F(3) C(25) C(23) 112.4(7) . . . yes
F(4) C(26) F(5) 102(1) . . . yes
F(4) C(26) F(6) 99(1) . . . yes
F(4) C(26) F(31) 128(1) . . . yes
F(4) C(26) F(32) 42(1) . . . yes
F(4) C(26) F(33) 56(1) . . . yes
F(4) C(26) C(21) 116.9(10) . . . yes
F(5) C(26) F(6) 105(1) . . . yes
F(5) C(26) F(31) 63(1) . . . yes
F(5) C(26) F(32) 132(1) . . . yes
F(5) C(26) F(33) 53(1) . . . yes
F(5) C(26) C(21) 115(1) . . . yes
F(6) C(26) F(31) 47(1) . . . yes
F(6) C(26) F(32) 64(1) . . . yes
F(6) C(26) F(33) 133(1) . . . yes
F(6) C(26) C(21) 115.3(10) . . . yes
F(31) C(26) F(32) 109(1) . . . yes
F(31) C(26) F(33) 113(1) . . . yes
F(31) C(26) C(21) 113(1) . . . yes
F(32) C(26) F(33) 98(1) . . . yes
F(32) C(26) C(21) 109(1) . . . yes
F(33) C(26) C(21) 111.5(9) . . . yes
C(28) C(27) C(32) 115.7(6) . . . yes
C(28) C(27) B(1) 120.1(6) . . . yes
C(32) C(27) B(1) 124.2(7) . . . yes
C(27) C(28) C(29) 121.2(7) . . . yes
C(28) C(29) C(30) 121.1(8) . . . yes
C(28) C(29) C(33) 121.0(8) . . . yes
C(30) C(29) C(33) 117.8(6) . . . yes
C(29) C(30) C(31) 118.0(6) . . . yes
C(30) C(31) C(32) 121.4(8) . . . yes
C(30) C(31) C(34) 119.7(7) . . . yes
C(32) C(31) C(34) 118.9(8) . . . yes
C(27) C(32) C(31) 122.6(8) . . . yes
F(7) C(33) F(8) 107.8(8) . . . yes
F(7) C(33) F(9) 105.8(9) . . . yes
F(7) C(33) C(29) 114.5(6) . . . yes
F(8) C(33) F(9) 103.6(6) . . . yes
F(8) C(33) C(29) 111.4(9) . . . yes
F(9) C(33) C(29) 112.9(7) . . . yes
F(10) C(34) F(11) 103.7(9) . . . yes
F(10) C(34) F(12) 109.1(8) . . . yes
F(10) C(34) C(31) 110.8(9) . . . yes
F(11) C(34) F(12) 106.9(10) . . . yes
F(11) C(34) C(31) 113.0(7) . . . yes
F(12) C(34) C(31) 113.0(8) . . . yes
C(36) C(35) C(40) 115.1(7) . . . yes
C(36) C(35) B(1) 123.8(6) . . . yes
C(40) C(35) B(1) 120.5(6) . . . yes
C(35) C(36) C(37) 122.3(6) . . . yes
C(36) C(37) C(38) 121.5(6) . . . yes
C(36) C(37) C(41) 119.1(6) . . . yes
C(38) C(37) C(41) 119.3(7) . . . yes
C(37) C(38) C(39) 117.1(7) . . . yes
C(38) C(39) C(40) 121.4(6) . . . yes
C(38) C(39) C(42) 119.2(7) . . . yes
C(40) C(39) C(42) 119.3(6) . . . yes
C(35) C(40) C(39) 122.3(6) . . . yes
F(13) C(41) F(14) 104.2(6) . . . yes
F(13) C(41) F(15) 110.3(6) . . . yes
F(13) C(41) C(37) 114.4(6) . . . yes
F(14) C(41) F(15) 104.3(6) . . . yes
F(14) C(41) C(37) 109.9(6) . . . yes
F(15) C(41) C(37) 112.9(6) . . . yes
F(16) C(42) F(17) 105.3(7) . . . yes
F(16) C(42) F(18) 106.9(7) . . . yes
F(16) C(42) C(39) 112.2(6) . . . yes
F(17) C(42) F(18) 106.4(6) . . . yes
F(17) C(42) C(39) 112.2(7) . . . yes
F(18) C(42) C(39) 113.3(7) . . . yes
C(44) C(43) C(48) 116.2(6) . . . yes
C(44) C(43) B(1) 123.1(6) . . . yes
C(48) C(43) B(1) 120.6(6) . . . yes
C(43) C(44) C(45) 121.6(6) . . . yes
C(44) C(45) C(46) 119.8(7) . . . yes
C(44) C(45) C(49) 119.6(6) . . . yes
C(46) C(45) C(49) 120.6(6) . . . yes
C(45) C(46) C(47) 119.5(6) . . . yes
C(46) C(47) C(48) 120.1(7) . . . yes
C(46) C(47) C(50) 119.9(6) . . . yes
C(48) C(47) C(50) 119.9(7) . . . yes
C(43) C(48) C(47) 122.8(7) . . . yes
F(22) C(49) F(23) 103.3(6) . . . yes
F(22) C(49) F(24) 105.8(7) . . . yes
F(22) C(49) C(45) 113.8(6) . . . yes
F(23) C(49) F(24) 105.4(6) . . . yes
F(23) C(49) C(45) 112.3(6) . . . yes
F(24) C(49) C(45) 115.1(6) . . . yes
F(19) C(50) F(20) 106.9(6) . . . yes
F(19) C(50) F(21) 103.5(7) . . . yes
F(19) C(50) C(47) 111.5(6) . . . yes
F(20) C(50) F(21) 106.5(7) . . . yes
F(20) C(50) C(47) 114.0(7) . . . yes
F(21) C(50) C(47) 113.7(6) . . . yes
C(52) C(51) C(56) 114.6(6) . . . yes
C(52) C(51) B(1) 121.8(5) . . . yes
C(56) C(51) B(1) 123.2(5) . . . yes
C(51) C(52) C(53) 123.6(6) . . . yes
C(52) C(53) C(54) 119.9(5) . . . yes
C(52) C(53) C(57) 121.4(6) . . . yes
C(54) C(53) C(57) 118.7(6) . . . yes
C(53) C(54) C(55) 117.9(6) . . . yes
C(54) C(55) C(56) 121.5(6) . . . yes
C(54) C(55) C(58) 119.6(6) . . . yes
C(56) C(55) C(58) 118.9(5) . . . yes
C(51) C(56) C(55) 122.3(5) . . . yes
F(25) C(57) F(26) 106.5(6) . . . yes
F(25) C(57) F(27) 105.4(6) . . . yes
F(25) C(57) C(53) 114.4(6) . . . yes
F(26) C(57) F(27) 104.1(6) . . . yes
F(26) C(57) C(53) 113.3(6) . . . yes
F(27) C(57) C(53) 112.4(6) . . . yes
F(28) C(58) F(29) 106.7(6) . . . yes
F(28) C(58) F(30) 105.9(6) . . . yes
F(28) C(58) C(55) 113.6(6) . . . yes
F(29) C(58) F(30) 106.3(6) . . . yes
F(29) C(58) C(55) 112.6(6) . . . yes
F(30) C(58) C(55) 111.3(7) . . . yes
Cl(1) C(59) C(60) 101(1) . . . yes
Cl(2) C(60) C(59) 111(1) . . . yes
C(27) B(1) C(35) 111.8(6) . . . yes
C(27) B(1) C(43) 107.9(5) . . . yes
C(27) B(1) C(51) 113.1(5) . . . yes
C(35) B(1) C(43) 111.3(6) . . . yes
C(35) B(1) C(51) 101.8(5) . . . yes
C(43) B(1) C(51) 110.8(6) . . . yes
#------------------------------------------------------------------------------
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) Pt(2) Pt(3) C(6) -99.7(2) . . . . yes
Pt(1) Pt(2) Pt(3) C(7) -64.3(3) . . . . yes
Pt(1) Pt(2) Pt(3) C(12) 107.0(2) . . . . yes
Pt(1) Pt(2) Pt(3) C(13) 80.7(4) . . . . yes
Pt(1) Pt(2) Pt(3) C(17) 178.7(4) . . . . yes
Pt(1) Pt(2) Pt(3) C(18) -168(1) . . . . yes
Pt(1) Pt(2) C(4) C(3) -31.9(5) . . . . yes
Pt(1) Pt(2) C(4) C(5) 97.9(5) . . . . yes
Pt(1) Pt(2) C(5) C(4) -82.8(5) . . . . yes
Pt(1) Pt(2) C(5) C(6) 41.3(7) . . . . yes
Pt(1) Pt(2) C(10) C(9) 4.4(5) . . . . yes
Pt(1) Pt(2) C(10) C(11) -119.8(4) . . . . yes
Pt(1) Pt(2) C(11) C(10) 55.4(4) . . . . yes
Pt(1) Pt(2) C(11) C(12) -70.5(6) . . . . yes
Pt(1) Pt(2) C(15) C(16) 179.8(5) . . . . yes
Pt(1) Pt(2) C(16) C(15) 0(1) . . . . yes
Pt(1) Pt(3) Pt(2) C(4) 86.2(3) . . . . yes
Pt(1) Pt(3) Pt(2) C(5) 108.9(3) . . . . yes
Pt(1) Pt(3) Pt(2) C(10) -66.0(2) . . . . yes
Pt(1) Pt(3) Pt(2) C(11) -100.0(2) . . . . yes
Pt(1) Pt(3) Pt(2) C(15) -170(1) . . . . yes
Pt(1) Pt(3) Pt(2) C(16) -179.4(4) . . . . yes
Pt(1) Pt(3) C(6) C(5) -74.0(6) . . . . yes
Pt(1) Pt(3) C(6) C(7) 51.1(5) . . . . yes
Pt(1) Pt(3) C(7) C(1) 2.2(4) . . . . yes
Pt(1) Pt(3) C(7) C(6) -123.9(5) . . . . yes
Pt(1) Pt(3) C(12) C(11) 45.5(6) . . . . yes
Pt(1) Pt(3) C(12) C(13) -77.5(7) . . . . yes
Pt(1) Pt(3) C(13) C(12) 101.7(7) . . . . yes
Pt(1) Pt(3) C(13) C(14) -26.6(7) . . . . yes
Pt(1) Pt(3) C(17) C(18) -11(2) . . . . yes
Pt(1) Pt(3) C(18) C(17) 177.0(6) . . . . yes
Pt(1) C(1) C(2) C(3) -88(1) . . . . yes
Pt(1) C(1) C(7) Pt(3) -2.8(5) . . . . yes
Pt(1) C(1) C(7) C(6) 75(1) . . . . yes
Pt(1) C(2) C(1) C(7) 94.9(10) . . . . yes
Pt(1) C(2) C(3) C(4) -86(1) . . . . yes
Pt(1) C(8) C(9) C(10) 93(1) . . . . yes
Pt(1) C(8) C(14) C(13) -86(1) . . . . yes
Pt(1) C(9) C(8) C(14) -85(1) . . . . yes
Pt(1) C(9) C(10) Pt(2) -5.5(6) . . . . yes
Pt(1) C(9) C(10) C(11) 72(1) . . . . yes
Pt(1) C(19) C(20) C(21) -177.9(6) . . . . yes
Pt(1) C(19) C(24) C(23) 177.3(6) . . . . yes
Pt(2) Pt(1) Pt(3) C(6) 75.4(3) . . . . yes
Pt(2) Pt(1) Pt(3) C(7) 106.3(2) . . . . yes
Pt(2) Pt(1) Pt(3) C(12) -62.5(3) . . . . yes
Pt(2) Pt(1) Pt(3) C(13) -99.5(4) . . . . yes
Pt(2) Pt(1) Pt(3) C(17) -174(1) . . . . yes
Pt(2) Pt(1) Pt(3) C(18) 176.0(4) . . . . yes
Pt(2) Pt(1) C(1) C(2) 71.7(4) . . . . yes
Pt(2) Pt(1) C(1) C(7) -52.6(5) . . . . yes
Pt(2) Pt(1) C(2) C(1) -108.1(4) . . . . yes
Pt(2) Pt(1) C(2) C(3) 16.9(6) . . . . yes
Pt(2) Pt(1) C(8) C(9) -45.8(5) . . . . yes
Pt(2) Pt(1) C(8) C(14) 81.4(6) . . . . yes
Pt(2) Pt(1) C(9) C(8) 131.7(6) . . . . yes
Pt(2) Pt(1) C(9) C(10) 4.3(5) . . . . yes
Pt(2) Pt(1) C(19) C(20) 173.8(5) . . . . yes
Pt(2) Pt(1) C(19) C(24) -5.0(9) . . . . yes
Pt(2) Pt(3) Pt(1) C(1) -107.7(2) . . . . yes
Pt(2) Pt(3) Pt(1) C(2) -77.3(2) . . . . yes
Pt(2) Pt(3) Pt(1) C(8) 101.0(3) . . . . yes
Pt(2) Pt(3) Pt(1) C(9) 64.9(2) . . . . yes
Pt(2) Pt(3) Pt(1) C(19) -179.2(5) . . . . yes
Pt(2) Pt(3) C(6) C(5) -14.7(5) . . . . yes
Pt(2) Pt(3) C(6) C(7) 110.5(5) . . . . yes
Pt(2) Pt(3) C(7) C(1) 59.2(5) . . . . yes
Pt(2) Pt(3) C(7) C(6) -66.9(5) . . . . yes
Pt(2) Pt(3) C(12) C(11) -11.1(5) . . . . yes
Pt(2) Pt(3) C(12) C(13) -134.1(8) . . . . yes
Pt(2) Pt(3) C(13) C(12) 41.9(7) . . . . yes
Pt(2) Pt(3) C(13) C(14) -86.4(7) . . . . yes
Pt(2) Pt(3) C(17) C(18) 174.5(5) . . . . yes
Pt(2) Pt(3) C(18) C(17) -17(1) . . . . yes
Pt(2) C(4) C(3) C(2) 91(1) . . . . yes
Pt(2) C(4) C(5) C(6) -93(1) . . . . yes
Pt(2) C(5) C(4) C(3) 80(1) . . . . yes
Pt(2) C(5) C(6) Pt(3) 17.6(7) . . . . yes
Pt(2) C(5) C(6) C(7) -61(1) . . . . yes
Pt(2) C(10) C(9) C(8) -80(1) . . . . yes
Pt(2) C(10) C(11) C(12) 95(1) . . . . yes
Pt(2) C(11) C(10) C(9) -98.4(10) . . . . yes
Pt(2) C(11) C(12) Pt(3) 13.6(6) . . . . yes
Pt(2) C(11) C(12) C(13) 84(1) . . . . yes
Pt(3) Pt(1) Pt(2) C(4) -95.5(3) . . . . yes
Pt(3) Pt(1) Pt(2) C(5) -60.2(2) . . . . yes
Pt(3) Pt(1) Pt(2) C(10) 106.0(2) . . . . yes
Pt(3) Pt(1) Pt(2) C(11) 73.8(3) . . . . yes
Pt(3) Pt(1) Pt(2) C(15) 177.2(4) . . . . yes
Pt(3) Pt(1) Pt(2) C(16) 177(1) . . . . yes
Pt(3) Pt(1) C(1) C(2) 126.5(5) . . . . yes
Pt(3) Pt(1) C(1) C(7) 2.2(4) . . . . yes
Pt(3) Pt(1) C(2) C(1) -51.1(4) . . . . yes
Pt(3) Pt(1) C(2) C(3) 73.8(6) . . . . yes
Pt(3) Pt(1) C(8) C(9) -103.5(5) . . . . yes
Pt(3) Pt(1) C(8) C(14) 23.7(6) . . . . yes
Pt(3) Pt(1) C(9) C(8) 77.4(5) . . . . yes
Pt(3) Pt(1) C(9) C(10) -50.0(5) . . . . yes
Pt(3) Pt(1) C(19) C(20) -7(1) . . . . yes
Pt(3) Pt(1) C(19) C(24) 173.8(4) . . . . yes
Pt(3) Pt(2) Pt(1) C(1) 66.8(2) . . . . yes
Pt(3) Pt(2) Pt(1) C(2) 103.5(2) . . . . yes
Pt(3) Pt(2) Pt(1) C(8) -81.8(3) . . . . yes
Pt(3) Pt(2) Pt(1) C(9) -108.8(2) . . . . yes
Pt(3) Pt(2) Pt(1) C(19) 179.3(4) . . . . yes
Pt(3) Pt(2) C(4) C(3) -92.4(5) . . . . yes
Pt(3) Pt(2) C(4) C(5) 37.4(5) . . . . yes
Pt(3) Pt(2) C(5) C(4) -138.6(5) . . . . yes
Pt(3) Pt(2) C(5) C(6) -14.4(6) . . . . yes
Pt(3) Pt(2) C(10) C(9) 61.6(5) . . . . yes
Pt(3) Pt(2) C(10) C(11) -62.5(4) . . . . yes
Pt(3) Pt(2) C(11) C(10) 114.7(4) . . . . yes
Pt(3) Pt(2) C(11) C(12) -11.2(5) . . . . yes
Pt(3) Pt(2) C(15) C(16) -11(1) . . . . yes
Pt(3) Pt(2) C(16) C(15) 176.7(5) . . . . yes
Pt(3) C(6) C(5) C(4) 88(1) . . . . yes
Pt(3) C(6) C(7) C(1) -99(1) . . . . yes
Pt(3) C(7) C(1) C(2) -79(1) . . . . yes
Pt(3) C(7) C(6) C(5) 94(1) . . . . yes
Pt(3) C(12) C(11) C(10) -66(1) . . . . yes
Pt(3) C(12) C(13) C(14) 88(1) . . . . yes
Pt(3) C(13) C(12) C(11) -94(1) . . . . yes
Pt(3) C(13) C(14) C(8) 88(1) . . . . yes
Cl(1) C(59) C(60) Cl(2) -30(1) . . . . yes
F(1) C(25) C(23) C(22) -103.3(8) . . . . yes
F(1) C(25) C(23) C(24) 73.7(9) . . . . yes
F(2) C(25) C(23) C(22) 18(1) . . . . yes
F(2) C(25) C(23) C(24) -165.0(8) . . . . yes
F(3) C(25) C(23) C(22) 138.7(8) . . . . yes
F(3) C(25) C(23) C(24) -44(1) . . . . yes
F(4) F(32) F(6) F(31) 18(2) . . . . yes
F(4) F(32) F(6) C(26) 36(1) . . . . yes
F(4) F(32) C(26) F(5) -54(2) . . . . yes
F(4) F(32) C(26) F(6) -141(1) . . . . yes
F(4) F(32) C(26) F(31) -126(1) . . . . yes
F(4) F(32) C(26) F(33) -7(1) . . . . yes
F(4) F(32) C(26) C(21) 108(1) . . . . yes
F(4) F(33) F(5) F(31) -13(2) . . . . yes
F(4) F(33) F(5) C(26) -34(1) . . . . yes
F(4) F(33) C(26) F(5) 144(1) . . . . yes
F(4) F(33) C(26) F(6) 69(2) . . . . yes
F(4) F(33) C(26) F(31) 121(1) . . . . yes
F(4) F(33) C(26) F(32) 6(1) . . . . yes
F(4) F(33) C(26) C(21) -108(1) . . . . yes
F(4) C(26) F(5) F(31) -127(1) . . . . yes
F(4) C(26) F(5) F(33) 29(1) . . . . yes
F(4) C(26) F(6) F(31) 135(1) . . . . yes
F(4) C(26) F(6) F(32) -24(1) . . . . yes
F(4) C(26) F(31) F(5) 85(2) . . . . yes
F(4) C(26) F(31) F(6) -62(2) . . . . yes
F(4) C(26) F(32) F(6) 141(1) . . . . yes
F(4) C(26) F(33) F(5) -144(1) . . . . yes
F(4) C(26) C(21) C(20) 100(1) . . . . yes
F(4) C(26) C(21) C(22) -80(1) . . . . yes
F(5) F(31) F(6) F(32) -17(2) . . . . yes
F(5) F(31) F(6) C(26) -35(1) . . . . yes
F(5) F(31) C(26) F(6) 147(1) . . . . yes
F(5) F(31) C(26) F(32) 128(1) . . . . yes
F(5) F(31) C(26) F(33) 19(1) . . . . yes
F(5) F(31) C(26) C(21) -108(1) . . . . yes
F(5) F(33) F(4) F(32) 22(3) . . . . yes
F(5) F(33) F(4) C(26) 35(1) . . . . yes
F(5) F(33) C(26) F(6) -75(2) . . . . yes
F(5) F(33) C(26) F(31) -22(1) . . . . yes
F(5) F(33) C(26) F(32) -137(1) . . . . yes
F(5) F(33) C(26) C(21) 106(1) . . . . yes
F(5) C(26) F(4) F(32) 142(1) . . . . yes
F(5) C(26) F(4) F(33) -28(1) . . . . yes
F(5) C(26) F(6) F(31) 29(1) . . . . yes
F(5) C(26) F(6) F(32) -130(1) . . . . yes
F(5) C(26) F(31) F(6) -147(1) . . . . yes
F(5) C(26) F(32) F(6) 87(2) . . . . yes
F(5) C(26) C(21) C(20) -138(1) . . . . yes
F(5) C(26) C(21) C(22) 40(1) . . . . yes
F(6) F(31) F(5) F(33) 17(2) . . . . yes
F(6) F(31) F(5) C(26) 39(1) . . . . yes
F(6) F(31) C(26) F(32) -18(1) . . . . yes
F(6) F(31) C(26) F(33) -127(1) . . . . yes
F(6) F(31) C(26) C(21) 103(1) . . . . yes
F(6) F(32) F(4) F(33) -22(3) . . . . yes
F(6) F(32) F(4) C(26) -34(1) . . . . yes
F(6) F(32) C(26) F(31) 15(1) . . . . yes
F(6) F(32) C(26) F(33) 133(1) . . . . yes
F(6) F(32) C(26) C(21) -109(1) . . . . yes
F(6) C(26) F(4) F(32) 34(1) . . . . yes
F(6) C(26) F(4) F(33) -136(1) . . . . yes
F(6) C(26) F(5) F(31) -23(1) . . . . yes
F(6) C(26) F(5) F(33) 133(1) . . . . yes
F(6) C(26) C(21) C(20) -15(1) . . . . yes
F(6) C(26) C(21) C(22) 163(1) . . . . yes
F(7) C(33) C(29) C(28) -4(1) . . . . yes
F(7) C(33) C(29) C(30) 178.0(7) . . . . yes
F(8) C(33) C(29) C(28) 118.1(8) . . . . yes
F(8) C(33) C(29) C(30) -59.3(9) . . . . yes
F(9) C(33) C(29) C(28) -125.8(8) . . . . yes
F(9) C(33) C(29) C(30) 56(1) . . . . yes
F(10) C(34) C(31) C(30) -17(1) . . . . yes
F(10) C(34) C(31) C(32) 164.4(8) . . . . yes
F(11) C(34) C(31) C(30) -133.2(9) . . . . yes
F(11) C(34) C(31) C(32) 48(1) . . . . yes
F(12) C(34) C(31) C(30) 105.3(10) . . . . yes
F(12) C(34) C(31) C(32) -72(1) . . . . yes
F(13) C(41) C(37) C(36) 35.4(10) . . . . yes
F(13) C(41) C(37) C(38) -145.1(7) . . . . yes
F(14) C(41) C(37) C(36) -81.4(8) . . . . yes
F(14) C(41) C(37) C(38) 98.1(8) . . . . yes
F(15) C(41) C(37) C(36) 162.6(6) . . . . yes
F(15) C(41) C(37) C(38) -17.9(10) . . . . yes
F(16) C(42) C(39) C(38) -21.8(10) . . . . yes
F(16) C(42) C(39) C(40) 162.0(7) . . . . yes
F(17) C(42) C(39) C(38) -140.1(7) . . . . yes
F(17) C(42) C(39) C(40) 43.7(9) . . . . yes
F(18) C(42) C(39) C(38) 99.3(9) . . . . yes
F(18) C(42) C(39) C(40) -76.9(10) . . . . yes
F(19) C(50) C(47) C(46) -54.1(9) . . . . yes
F(19) C(50) C(47) C(48) 121.8(7) . . . . yes
F(20) C(50) C(47) C(46) 67.0(8) . . . . yes
F(20) C(50) C(47) C(48) -117.0(8) . . . . yes
F(21) C(50) C(47) C(46) -170.6(6) . . . . yes
F(21) C(50) C(47) C(48) 5.3(9) . . . . yes
F(22) C(49) C(45) C(44) 116.2(7) . . . . yes
F(22) C(49) C(45) C(46) -66.0(8) . . . . yes
F(23) C(49) C(45) C(44) -126.8(7) . . . . yes
F(23) C(49) C(45) C(46) 51.0(9) . . . . yes
F(24) C(49) C(45) C(44) -6.2(9) . . . . yes
F(24) C(49) C(45) C(46) 171.6(6) . . . . yes
F(25) C(57) C(53) C(52) 2(1) . . . . yes
F(25) C(57) C(53) C(54) -177.8(7) . . . . yes
F(26) C(57) C(53) C(52) -119.5(8) . . . . yes
F(26) C(57) C(53) C(54) 59.9(10) . . . . yes
F(27) C(57) C(53) C(52) 122.9(8) . . . . yes
F(27) C(57) C(53) C(54) -57.7(10) . . . . yes
F(28) C(58) C(55) C(54) -22(1) . . . . yes
F(28) C(58) C(55) C(56) 159.0(7) . . . . yes
F(29) C(58) C(55) C(54) -143.6(8) . . . . yes
F(29) C(58) C(55) C(56) 37(1) . . . . yes
F(30) C(58) C(55) C(54) 97.1(8) . . . . yes
F(30) C(58) C(55) C(56) -81.7(8) . . . . yes
F(31) F(5) F(33) C(26) 20(1) . . . . yes
F(31) F(5) C(26) F(32) -92(2) . . . . yes
F(31) F(5) C(26) F(33) -157(1) . . . . yes
F(31) F(5) C(26) C(21) 104(1) . . . . yes
F(31) F(6) F(32) C(26) -18(1) . . . . yes
F(31) F(6) C(26) F(32) 160(1) . . . . yes
F(31) F(6) C(26) F(33) 82(2) . . . . yes
F(31) F(6) C(26) C(21) -98(1) . . . . yes
F(31) C(26) F(4) F(32) 75(3) . . . . yes
F(31) C(26) F(4) F(33) -94(2) . . . . yes
F(31) C(26) F(5) F(33) 157(1) . . . . yes
F(31) C(26) F(6) F(32) -160(1) . . . . yes
F(31) C(26) C(21) C(20) -67(2) . . . . yes
F(31) C(26) C(21) C(22) 111(1) . . . . yes
F(32) F(4) F(33) C(26) -12(2) . . . . yes
F(32) F(4) C(26) F(33) 170(1) . . . . yes
F(32) F(4) C(26) C(21) -90(1) . . . . yes
F(32) F(6) F(31) C(26) 18(1) . . . . yes
F(32) F(6) C(26) F(33) -77(2) . . . . yes
F(32) F(6) C(26) C(21) 100(1) . . . . yes
F(32) C(26) F(4) F(33) -170(1) . . . . yes
F(32) C(26) F(5) F(33) 64(2) . . . . yes
F(32) C(26) C(21) C(20) 55(1) . . . . yes
F(32) C(26) C(21) C(22) -126(1) . . . . yes
F(33) F(4) F(32) C(26) 11(2) . . . . yes
F(33) F(4) C(26) C(21) 99(1) . . . . yes
F(33) F(5) F(31) C(26) -22(1) . . . . yes
F(33) F(5) C(26) C(21) -98(1) . . . . yes
F(33) C(26) C(21) C(20) 163(1) . . . . yes
F(33) C(26) C(21) C(22) -17(1) . . . . yes
C(1) Pt(1) Pt(2) C(4) -28.7(4) . . . . yes
C(1) Pt(1) Pt(2) C(5) 6.6(3) . . . . yes
C(1) Pt(1) Pt(2) C(10) 172.8(3) . . . . yes
C(1) Pt(1) Pt(2) C(11) 140.6(3) . . . . yes
C(1) Pt(1) Pt(2) C(15) -116.0(4) . . . . yes
C(1) Pt(1) Pt(2) C(16) -115(1) . . . . yes
C(1) Pt(1) Pt(3) C(6) -32.3(3) . . . . yes
C(1) Pt(1) Pt(3) C(7) -1.4(3) . . . . yes
C(1) Pt(1) Pt(3) C(12) -170.2(3) . . . . yes
C(1) Pt(1) Pt(3) C(13) 152.8(4) . . . . yes
C(1) Pt(1) Pt(3) C(17) 77(1) . . . . yes
C(1) Pt(1) Pt(3) C(18) 68.3(4) . . . . yes
C(1) Pt(1) C(2) C(3) 124.9(8) . . . . yes
C(1) Pt(1) C(8) C(9) -158.7(5) . . . . yes
C(1) Pt(1) C(8) C(14) -31.5(10) . . . . yes
C(1) Pt(1) C(9) C(8) 111(1) . . . . yes
C(1) Pt(1) C(9) C(10) -16(1) . . . . yes
C(1) Pt(1) C(19) C(20) -73.8(7) . . . . yes
C(1) Pt(1) C(19) C(24) 107.4(6) . . . . yes
C(1) C(2) Pt(1) C(8) 147(3) . . . . yes
C(1) C(2) Pt(1) C(9) -160.1(5) . . . . yes
C(1) C(2) Pt(1) C(19) 102.2(5) . . . . yes
C(1) C(2) C(3) C(4) -12(2) . . . . yes
C(1) C(7) Pt(3) C(6) 126.1(8) . . . . yes
C(1) C(7) Pt(3) C(12) 35(1) . . . . yes
C(1) C(7) Pt(3) C(13) -45.1(9) . . . . yes
C(1) C(7) Pt(3) C(17) -166.4(5) . . . . yes
C(1) C(7) Pt(3) C(18) -134.8(5) . . . . yes
C(1) C(7) C(6) C(5) -5(1) . . . . yes
C(2) Pt(1) Pt(2) C(4) 8.0(4) . . . . yes
C(2) Pt(1) Pt(2) C(5) 43.2(3) . . . . yes
C(2) Pt(1) Pt(2) C(10) -150.5(3) . . . . yes
C(2) Pt(1) Pt(2) C(11) 177.3(4) . . . . yes
C(2) Pt(1) Pt(2) C(15) -79.3(4) . . . . yes
C(2) Pt(1) Pt(2) C(16) -78(1) . . . . yes
C(2) Pt(1) Pt(3) C(6) -1.9(4) . . . . yes
C(2) Pt(1) Pt(3) C(7) 29.0(3) . . . . yes
C(2) Pt(1) Pt(3) C(12) -139.8(4) . . . . yes
C(2) Pt(1) Pt(3) C(13) -176.8(4) . . . . yes
C(2) Pt(1) Pt(3) C(17) 108(1) . . . . yes
C(2) Pt(1) Pt(3) C(18) 98.7(5) . . . . yes
C(2) Pt(1) C(1) C(7) -124.4(7) . . . . yes
C(2) Pt(1) C(8) C(9) 58(3) . . . . yes
C(2) Pt(1) C(8) C(14) -174(3) . . . . yes
C(2) Pt(1) C(9) C(8) -172.9(6) . . . . yes
C(2) Pt(1) C(9) C(10) 59.7(7) . . . . yes
C(2) Pt(1) C(19) C(20) -111.7(7) . . . . yes
C(2) Pt(1) C(19) C(24) 69.5(7) . . . . yes
C(2) C(1) Pt(1) C(8) -174.8(6) . . . . yes
C(2) C(1) Pt(1) C(9) 91(1) . . . . yes
C(2) C(1) Pt(1) C(19) -79.4(5) . . . . yes
C(2) C(1) C(7) C(6) 0(1) . . . . yes
C(2) C(3) C(4) C(5) 14(2) . . . . yes
C(3) C(2) Pt(1) C(8) -87(3) . . . . yes
C(3) C(2) Pt(1) C(9) -35.2(8) . . . . yes
C(3) C(2) Pt(1) C(19) -132.9(6) . . . . yes
C(3) C(2) C(1) C(7) 6(1) . . . . yes
C(3) C(4) Pt(2) C(5) -129.8(8) . . . . yes
C(3) C(4) Pt(2) C(10) 13.9(9) . . . . yes
C(3) C(4) Pt(2) C(11) -126(1) . . . . yes
C(3) C(4) Pt(2) C(15) 100.1(6) . . . . yes
C(3) C(4) Pt(2) C(16) 135.9(6) . . . . yes
C(3) C(4) C(5) C(6) -13(2) . . . . yes
C(4) Pt(2) Pt(1) C(8) -177.3(4) . . . . yes
C(4) Pt(2) Pt(1) C(9) 155.7(4) . . . . yes
C(4) Pt(2) Pt(1) C(19) 83.8(5) . . . . yes
C(4) Pt(2) Pt(3) C(6) -13.5(4) . . . . yes
C(4) Pt(2) Pt(3) C(7) 21.9(4) . . . . yes
C(4) Pt(2) Pt(3) C(12) -166.8(4) . . . . yes
C(4) Pt(2) Pt(3) C(13) 167.0(5) . . . . yes
C(4) Pt(2) Pt(3) C(17) -95.1(5) . . . . yes
C(4) Pt(2) Pt(3) C(18) -82(1) . . . . yes
C(4) Pt(2) C(5) C(6) 124.2(9) . . . . yes
C(4) Pt(2) C(10) C(9) -44.7(9) . . . . yes
C(4) Pt(2) C(10) C(11) -168.9(6) . . . . yes
C(4) Pt(2) C(11) C(10) 150(1) . . . . yes
C(4) Pt(2) C(11) C(12) 24(2) . . . . yes
C(4) Pt(2) C(15) C(16) 92.5(7) . . . . yes
C(4) Pt(2) C(16) C(15) -87.3(7) . . . . yes
C(4) C(5) Pt(2) C(10) -123.8(9) . . . . yes
C(4) C(5) Pt(2) C(11) -179.2(5) . . . . yes
C(4) C(5) Pt(2) C(15) 55.0(6) . . . . yes
C(4) C(5) Pt(2) C(16) 86.8(5) . . . . yes
C(4) C(5) C(6) C(7) 9(2) . . . . yes
C(5) Pt(2) Pt(1) C(8) -142.0(4) . . . . yes
C(5) Pt(2) Pt(1) C(9) -169.0(3) . . . . yes
C(5) Pt(2) Pt(1) C(19) 119.1(5) . . . . yes
C(5) Pt(2) Pt(3) C(6) 9.2(4) . . . . yes
C(5) Pt(2) Pt(3) C(7) 44.6(4) . . . . yes
C(5) Pt(2) Pt(3) C(12) -144.1(4) . . . . yes
C(5) Pt(2) Pt(3) C(13) -170.4(5) . . . . yes
C(5) Pt(2) Pt(3) C(17) -72.4(5) . . . . yes
C(5) Pt(2) Pt(3) C(18) -59(1) . . . . yes
C(5) Pt(2) C(10) C(9) 48(1) . . . . yes
C(5) Pt(2) C(10) C(11) -76(1) . . . . yes
C(5) Pt(2) C(11) C(10) 152.5(4) . . . . yes
C(5) Pt(2) C(11) C(12) 26.6(8) . . . . yes
C(5) Pt(2) C(15) C(16) 64.0(7) . . . . yes
C(5) Pt(2) C(16) C(15) -122.8(6) . . . . yes
C(5) C(4) Pt(2) C(10) 143.7(6) . . . . yes
C(5) C(4) Pt(2) C(11) 3(1) . . . . yes
C(5) C(4) Pt(2) C(15) -130.1(5) . . . . yes
C(5) C(4) Pt(2) C(16) -94.3(5) . . . . yes
C(5) C(6) Pt(3) C(7) -125.2(8) . . . . yes
C(5) C(6) Pt(3) C(12) 23.4(8) . . . . yes
C(5) C(6) Pt(3) C(13) -10(5) . . . . yes
C(5) C(6) Pt(3) C(17) 116.3(6) . . . . yes
C(5) C(6) Pt(3) C(18) 151.9(6) . . . . yes
C(6) Pt(3) Pt(1) C(8) 176.4(4) . . . . yes
C(6) Pt(3) Pt(1) C(9) 140.4(3) . . . . yes
C(6) Pt(3) Pt(1) C(19) -103.8(5) . . . . yes
C(6) Pt(3) Pt(2) C(10) -165.7(3) . . . . yes
C(6) Pt(3) Pt(2) C(11) 160.3(3) . . . . yes
C(6) Pt(3) Pt(2) C(15) 89(1) . . . . yes
C(6) Pt(3) Pt(2) C(16) 80.9(4) . . . . yes
C(6) Pt(3) C(12) C(11) -51.8(8) . . . . yes
C(6) Pt(3) C(12) C(13) -174.9(8) . . . . yes
C(6) Pt(3) C(13) C(12) 37(5) . . . . yes
C(6) Pt(3) C(13) C(14) -90(4) . . . . yes
C(6) Pt(3) C(17) C(18) 98.5(7) . . . . yes
C(6) Pt(3) C(18) C(17) -83.7(7) . . . . yes
C(6) C(5) Pt(2) C(10) 0(1) . . . . yes
C(6) C(5) Pt(2) C(11) -55.1(8) . . . . yes
C(6) C(5) Pt(2) C(15) 179.1(7) . . . . yes
C(6) C(5) Pt(2) C(16) -149.0(7) . . . . yes
C(6) C(7) Pt(3) C(12) -90(1) . . . . yes
C(6) C(7) Pt(3) C(13) -171.3(7) . . . . yes
C(6) C(7) Pt(3) C(17) 67.5(6) . . . . yes
C(6) C(7) Pt(3) C(18) 99.1(6) . . . . yes
C(7) Pt(3) Pt(1) C(8) -152.7(3) . . . . yes
C(7) Pt(3) Pt(1) C(9) 171.2(3) . . . . yes
C(7) Pt(3) Pt(1) C(19) -72.9(5) . . . . yes
C(7) Pt(3) Pt(2) C(10) -130.3(3) . . . . yes
C(7) Pt(3) Pt(2) C(11) -164.3(4) . . . . yes
C(7) Pt(3) Pt(2) C(15) 125(1) . . . . yes
C(7) Pt(3) Pt(2) C(16) 116.3(4) . . . . yes
C(7) Pt(3) C(12) C(11) 14(1) . . . . yes
C(7) Pt(3) C(12) C(13) -108(1) . . . . yes
C(7) Pt(3) C(13) C(12) 145.5(6) . . . . yes
C(7) Pt(3) C(13) C(14) 17(1) . . . . yes
C(7) Pt(3) C(17) C(18) 63.7(7) . . . . yes
C(7) Pt(3) C(18) C(17) -121.5(7) . . . . yes
C(7) C(1) Pt(1) C(8) 60.8(8) . . . . yes
C(7) C(1) Pt(1) C(9) -33(1) . . . . yes
C(7) C(1) Pt(1) C(19) 156.2(5) . . . . yes
C(7) C(6) Pt(3) C(12) 148.6(6) . . . . yes
C(7) C(6) Pt(3) C(13) 114(4) . . . . yes
C(7) C(6) Pt(3) C(17) -118.5(6) . . . . yes
C(7) C(6) Pt(3) C(18) -82.9(5) . . . . yes
C(8) Pt(1) Pt(2) C(10) 24.2(4) . . . . yes
C(8) Pt(1) Pt(2) C(11) -8.0(4) . . . . yes
C(8) Pt(1) Pt(2) C(15) 95.4(5) . . . . yes
C(8) Pt(1) Pt(2) C(16) 96(1) . . . . yes
C(8) Pt(1) Pt(3) C(12) 38.5(4) . . . . yes
C(8) Pt(1) Pt(3) C(13) 1.5(4) . . . . yes
C(8) Pt(1) Pt(3) C(17) -73(1) . . . . yes
C(8) Pt(1) Pt(3) C(18) -83.0(5) . . . . yes
C(8) Pt(1) C(9) C(10) -127.4(8) . . . . yes
C(8) Pt(1) C(19) C(20) 72.1(7) . . . . yes
C(8) Pt(1) C(19) C(24) -106.7(7) . . . . yes
C(8) C(9) Pt(1) C(19) -78.1(6) . . . . yes
C(8) C(9) C(10) C(11) -2(1) . . . . yes
C(8) C(14) C(13) C(12) 8(2) . . . . yes
C(9) Pt(1) Pt(2) C(10) -2.8(3) . . . . yes
C(9) Pt(1) Pt(2) C(11) -35.0(3) . . . . yes
C(9) Pt(1) Pt(2) C(15) 68.4(4) . . . . yes
C(9) Pt(1) Pt(2) C(16) 69(1) . . . . yes
C(9) Pt(1) Pt(3) C(12) 2.4(3) . . . . yes
C(9) Pt(1) Pt(3) C(13) -34.5(4) . . . . yes
C(9) Pt(1) Pt(3) C(17) -109(1) . . . . yes
C(9) Pt(1) Pt(3) C(18) -119.0(4) . . . . yes
C(9) Pt(1) C(8) C(14) 127.2(9) . . . . yes
C(9) Pt(1) C(19) C(20) 108.2(7) . . . . yes
C(9) Pt(1) C(19) C(24) -70.5(7) . . . . yes
C(9) C(8) Pt(1) C(19) 103.3(5) . . . . yes
C(9) C(8) C(14) C(13) -10(2) . . . . yes
C(9) C(10) Pt(2) C(11) 124.2(7) . . . . yes
C(9) C(10) Pt(2) C(15) -130.8(6) . . . . yes
C(9) C(10) Pt(2) C(16) -163.6(6) . . . . yes
C(9) C(10) C(11) C(12) -2(1) . . . . yes
C(10) Pt(2) Pt(1) C(19) -74.7(5) . . . . yes
C(10) Pt(2) Pt(3) C(12) 41.0(3) . . . . yes
C(10) Pt(2) Pt(3) C(13) 14.7(5) . . . . yes
C(10) Pt(2) Pt(3) C(17) 112.6(5) . . . . yes
C(10) Pt(2) Pt(3) C(18) 125(1) . . . . yes
C(10) Pt(2) C(11) C(12) -125.9(8) . . . . yes
C(10) Pt(2) C(15) C(16) -116.4(6) . . . . yes
C(10) Pt(2) C(16) C(15) 67.6(7) . . . . yes
C(10) C(9) Pt(1) C(19) 154.5(5) . . . . yes
C(10) C(9) C(8) C(14) 8(2) . . . . yes
C(10) C(11) Pt(2) C(15) -77.5(5) . . . . yes
C(10) C(11) Pt(2) C(16) -112.7(5) . . . . yes
C(10) C(11) C(12) C(13) 4(2) . . . . yes
C(11) Pt(2) Pt(1) C(19) -106.9(5) . . . . yes
C(11) Pt(2) Pt(3) C(12) 7.0(3) . . . . yes
C(11) Pt(2) Pt(3) C(13) -19.3(5) . . . . yes
C(11) Pt(2) Pt(3) C(17) 78.7(5) . . . . yes
C(11) Pt(2) Pt(3) C(18) 91(1) . . . . yes
C(11) Pt(2) C(15) C(16) -79.6(7) . . . . yes
C(11) Pt(2) C(16) C(15) 103.4(7) . . . . yes
C(11) C(10) Pt(2) C(15) 105.0(5) . . . . yes
C(11) C(10) Pt(2) C(16) 72.2(5) . . . . yes
C(11) C(12) Pt(3) C(13) 123(1) . . . . yes
C(11) C(12) Pt(3) C(17) -144.7(7) . . . . yes
C(11) C(12) Pt(3) C(18) -175.8(6) . . . . yes
C(11) C(12) C(13) C(14) -5(2) . . . . yes
C(12) Pt(3) Pt(1) C(19) 118.3(5) . . . . yes
C(12) Pt(3) Pt(2) C(15) -63(1) . . . . yes
C(12) Pt(3) Pt(2) C(16) -72.4(4) . . . . yes
C(12) Pt(3) C(13) C(14) -128(1) . . . . yes
C(12) Pt(3) C(17) C(18) -123.9(7) . . . . yes
C(12) Pt(3) C(18) C(17) 62.1(8) . . . . yes
C(12) C(11) Pt(2) C(15) 156.6(6) . . . . yes
C(12) C(11) Pt(2) C(16) 121.4(6) . . . . yes
C(12) C(13) Pt(3) C(17) -89.0(7) . . . . yes
C(12) C(13) Pt(3) C(18) -124.7(7) . . . . yes
C(13) Pt(3) Pt(1) C(19) 81.3(6) . . . . yes
C(13) Pt(3) Pt(2) C(15) -89(1) . . . . yes
C(13) Pt(3) Pt(2) C(16) -98.7(6) . . . . yes
C(13) Pt(3) C(17) C(18) -86.1(8) . . . . yes
C(13) Pt(3) C(18) C(17) 94.6(8) . . . . yes
C(13) C(12) Pt(3) C(17) 92.3(8) . . . . yes
C(13) C(12) Pt(3) C(18) 61.1(8) . . . . yes
C(14) C(8) Pt(1) C(19) -129.5(6) . . . . yes
C(14) C(13) Pt(3) C(17) 142.8(8) . . . . yes
C(14) C(13) Pt(3) C(18) 107.0(8) . . . . yes
C(15) Pt(2) Pt(1) C(19) -3.5(6) . . . . yes
C(15) Pt(2) Pt(3) C(17) 8(1) . . . . yes
C(15) Pt(2) Pt(3) C(18) 21(1) . . . . yes
C(16) Pt(2) Pt(1) C(19) -2(1) . . . . yes
C(16) Pt(2) Pt(3) C(17) -0.7(6) . . . . yes
C(16) Pt(2) Pt(3) C(18) 12(1) . . . . yes
C(17) Pt(3) Pt(1) C(19) 6(1) . . . . yes
C(18) Pt(3) Pt(1) C(19) -3.2(6) . . . . yes
C(19) C(20) C(21) C(22) 0(1) . . . . yes
C(19) C(20) C(21) C(26) 178.7(8) . . . . yes
C(19) C(24) C(23) C(22) 1(1) . . . . yes
C(19) C(24) C(23) C(25) -175.7(8) . . . . yes
C(20) C(19) C(24) C(23) -1(1) . . . . yes
C(20) C(21) C(22) C(23) 0(1) . . . . yes
C(21) C(20) C(19) C(24) 0(1) . . . . yes
C(21) C(22) C(23) C(24) 0(1) . . . . yes
C(21) C(22) C(23) C(25) 176.7(8) . . . . yes
C(23) C(22) C(21) C(26) -179.1(8) . . . . yes
C(27) C(28) C(29) C(30) -1(1) . . . . yes
C(27) C(28) C(29) C(33) -178.3(7) . . . . yes
C(27) C(32) C(31) C(30) 1(1) . . . . yes
C(27) C(32) C(31) C(34) 179.4(7) . . . . yes
C(27) B(1) C(35) C(36) -142.7(6) . . . . yes
C(27) B(1) C(35) C(40) 46.2(8) . . . . yes
C(27) B(1) C(43) C(44) -96.3(7) . . . . yes
C(27) B(1) C(43) C(48) 80.6(8) . . . . yes
C(27) B(1) C(51) C(52) 159.8(7) . . . . yes
C(27) B(1) C(51) C(56) -27(1) . . . . yes
C(28) C(27) C(32) C(31) 0(1) . . . . yes
C(28) C(27) B(1) C(35) -154.9(6) . . . . yes
C(28) C(27) B(1) C(43) 82.3(8) . . . . yes
C(28) C(27) B(1) C(51) -40.7(9) . . . . yes
C(28) C(29) C(30) C(31) 2(1) . . . . yes
C(29) C(28) C(27) C(32) 0.0(10) . . . . yes
C(29) C(28) C(27) B(1) -177.2(6) . . . . yes
C(29) C(30) C(31) C(32) -2(1) . . . . yes
C(29) C(30) C(31) C(34) 179.7(7) . . . . yes
C(31) C(30) C(29) C(33) 179.4(7) . . . . yes
C(31) C(32) C(27) B(1) 177.0(7) . . . . yes
C(32) C(27) B(1) C(35) 28.2(9) . . . . yes
C(32) C(27) B(1) C(43) -94.6(8) . . . . yes
C(32) C(27) B(1) C(51) 142.4(7) . . . . yes
C(35) C(36) C(37) C(38) 0(1) . . . . yes
C(35) C(36) C(37) C(41) -179.9(6) . . . . yes
C(35) C(40) C(39) C(38) 4(1) . . . . yes
C(35) C(40) C(39) C(42) -179.3(7) . . . . yes
C(35) B(1) C(43) C(44) 140.6(6) . . . . yes
C(35) B(1) C(43) C(48) -42.5(7) . . . . yes
C(35) B(1) C(51) C(52) -80.0(8) . . . . yes
C(35) B(1) C(51) C(56) 92.5(8) . . . . yes
C(36) C(35) C(40) C(39) -0.1(10) . . . . yes
C(36) C(35) B(1) C(43) -21.8(9) . . . . yes
C(36) C(35) B(1) C(51) 96.3(7) . . . . yes
C(36) C(37) C(38) C(39) 3(1) . . . . yes
C(37) C(36) C(35) C(40) -2.4(10) . . . . yes
C(37) C(36) C(35) B(1) -173.9(6) . . . . yes
C(37) C(38) C(39) C(40) -6(1) . . . . yes
C(37) C(38) C(39) C(42) 177.7(7) . . . . yes
C(39) C(38) C(37) C(41) -175.8(6) . . . . yes
C(39) C(40) C(35) B(1) 171.7(6) . . . . yes
C(40) C(35) B(1) C(43) 167.1(6) . . . . yes
C(40) C(35) B(1) C(51) -74.8(7) . . . . yes
C(43) C(44) C(45) C(46) -1.9(9) . . . . yes
C(43) C(44) C(45) C(49) 176.0(6) . . . . yes
C(43) C(48) C(47) C(46) 1.6(10) . . . . yes
C(43) C(48) C(47) C(50) -174.3(6) . . . . yes
C(43) B(1) C(51) C(52) 38.4(10) . . . . yes
C(43) B(1) C(51) C(56) -149.0(7) . . . . yes
C(44) C(43) C(48) C(47) -2.9(9) . . . . yes
C(44) C(43) B(1) C(51) 28.0(8) . . . . yes
C(44) C(45) C(46) C(47) 0.5(9) . . . . yes
C(45) C(44) C(43) C(48) 2.9(9) . . . . yes
C(45) C(44) C(43) B(1) 180.0(6) . . . . yes
C(45) C(46) C(47) C(48) -0.4(10) . . . . yes
C(45) C(46) C(47) C(50) 175.6(6) . . . . yes
C(47) C(46) C(45) C(49) -177.3(6) . . . . yes
C(47) C(48) C(43) B(1) 180.0(6) . . . . yes
C(48) C(43) B(1) C(51) -155.0(6) . . . . yes
C(51) C(52) C(53) C(54) 0(1) . . . . yes
C(51) C(52) C(53) C(57) 178.7(7) . . . . yes
C(51) C(56) C(55) C(54) -3(1) . . . . yes
C(51) C(56) C(55) C(58) 175.7(7) . . . . yes
C(52) C(51) C(56) C(55) 0(1) . . . . yes
C(52) C(53) C(54) C(55) -1(1) . . . . yes
C(53) C(52) C(51) C(56) 0(1) . . . . yes
C(53) C(52) C(51) B(1) 174.1(7) . . . . yes
C(53) C(54) C(55) C(56) 3(1) . . . . yes
C(53) C(54) C(55) C(58) -175.4(7) . . . . yes
C(55) C(54) C(53) C(57) 179.1(7) . . . . yes
C(55) C(56) C(51) B(1) -172.1(7) . . . . yes
C(55) C(56) C(51) B(1) -172.1(7) . . . . yes
#------------------------------------------------------------------------------
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt(1) Pt(2) 2.8157(4) . . ?
Pt(1) Pt(3) 2.8170(5) . . ?
Pt(2) Pt(3) 2.7554(4) . . ?
Cl(1) F(22) 3.22(2) . 2_657 ?
Cl(2) F(8) 2.950(10) . 1_455 ?
Cl(2) F(11) 3.51(1) . 2_667 ?
F(1) F(29) 3.136(8) . 1_455 ?
F(1) F(8) 3.17(1) . 1_455 ?
F(1) C(29) 3.343(9) . 1_455 ?
F(1) C(28) 3.542(9) . 1_455 ?
F(1) C(30) 3.583(10) . 1_455 ?
F(2) F(12) 3.22(1) . 1_455 ?
F(2) C(7) 3.24(1) . 2_566 ?
F(2) F(10) 3.28(1) . 2_667 ?
F(2) C(6) 3.45(1) . 2_566 ?
F(2) C(30) 3.56(1) . 1_455 ?
F(2) C(31) 3.579(9) . 1_455 ?
F(3) F(17) 3.041(8) . 1_455 ?
F(3) C(7) 3.31(1) . 2_566 ?
F(3) C(1) 3.37(1) . 2_566 ?
F(3) C(40) 3.550(7) . 1_455 ?
F(4) C(3) 3.16(2) . 2_566 ?
F(4) C(4) 3.20(2) . 2_566 ?
F(4) F(24) 3.22(2) . 1_565 ?
F(4) F(25) 3.27(2) . 1_565 ?
F(4) F(26) 3.48(2) . 1_565 ?
F(4) F(23) 3.50(3) . 1_565 ?
F(5) F(24) 3.33(2) . 1_565 ?
F(6) F(16) 2.95(2) . 2_666 ?
F(6) F(26) 3.39(2) . 1_565 ?
F(6) C(14) 3.42(2) . 2_666 ?
F(7) F(19) 3.055(9) . 2_657 ?
F(7) F(19) 3.177(10) . 1_655 ?
F(7) F(20) 3.367(8) . 2_657 ?
F(7) C(11) 3.57(1) . 2_656 ?
F(8) F(13) 2.972(9) . 1_655 ?
F(8) F(21) 3.09(1) . 1_655 ?
F(9) F(19) 2.864(8) . 2_657 ?
F(9) F(19) 3.285(10) . 1_655 ?
F(9) F(21) 3.373(9) . 1_655 ?
F(10) F(10) 3.52(2) . 2_767 ?
F(11) F(23) 3.21(1) . 2_657 ?
F(11) F(22) 3.216(9) . 2_657 ?
F(11) C(60) 3.35(2) . 2_667 ?
F(12) C(18) 3.56(1) . 2_666 ?
F(13) F(29) 3.422(6) . 1_455 ?
F(13) C(16) 3.46(1) . 2_556 ?
F(13) C(15) 3.50(1) . 2_556 ?
F(14) F(28) 2.649(7) . 2_656 ?
F(14) F(29) 3.025(7) . 1_455 ?
F(14) C(15) 3.35(1) . 2_556 ?
F(14) C(54) 3.561(9) . 2_656 ?
F(15) F(29) 3.221(6) . 1_455 ?
F(16) F(26) 3.111(7) . 2_656 ?
F(16) F(32) 3.29(2) . 2_666 ?
F(17) F(26) 3.423(7) . 2_656 ?
F(17) F(32) 3.47(3) . 2_666 ?
F(17) C(1) 3.553(8) . 2_666 ?
F(17) F(27) 3.563(7) . 2_656 ?
F(18) C(18) 3.09(1) . 2_666 ?
F(18) C(7) 3.232(9) . 2_666 ?
F(18) C(1) 3.508(10) . 2_666 ?
F(19) C(16) 3.28(1) . 2_556 ?
F(19) C(33) 3.36(1) . 2_657 ?
F(20) C(44) 3.055(10) . 2_657 ?
F(20) F(24) 3.318(8) . 2_657 ?
F(20) F(22) 3.388(8) . 2_657 ?
F(20) C(45) 3.412(9) . 2_657 ?
F(20) C(28) 3.45(1) . 2_657 ?
F(20) C(12) 3.45(1) . 1_556 ?
F(20) C(49) 3.511(8) . 2_657 ?
F(21) F(22) 3.291(9) . 2_657 ?
F(21) C(17) 3.31(1) . 1_556 ?
F(22) C(48) 3.005(8) . 2_657 ?
F(22) C(32) 3.334(9) . 2_657 ?
F(22) C(47) 3.355(8) . 2_657 ?
F(22) C(50) 3.486(8) . 2_657 ?
F(23) F(33) 2.93(2) . 1_545 ?
F(23) C(4) 3.31(1) . 2_556 ?
F(23) C(5) 3.32(1) . 2_556 ?
F(24) F(33) 2.90(2) . 1_545 ?
F(24) C(13) 3.49(1) . 2_656 ?
F(25) F(32) 3.09(2) . 1_545 ?
F(25) F(30) 3.392(8) . 2_656 ?
F(26) F(32) 2.90(2) . 1_545 ?
F(26) C(14) 3.20(1) . 2_656 ?
F(26) C(8) 3.32(1) . 2_656 ?
F(26) C(39) 3.398(9) . 2_656 ?
F(26) C(38) 3.435(9) . 2_656 ?
F(26) C(42) 3.488(9) . 2_656 ?
F(27) C(40) 3.214(8) . 2_656 ?
F(27) C(39) 3.251(9) . 2_656 ?
F(27) C(52) 3.337(9) . 2_656 ?
F(27) C(53) 3.360(10) . 2_656 ?
F(27) C(55) 3.42(1) . 2_656 ?
F(27) C(51) 3.423(9) . 2_656 ?
F(27) C(54) 3.42(1) . 2_656 ?
F(27) C(56) 3.438(10) . 2_656 ?
F(27) C(35) 3.506(8) . 2_656 ?
F(28) F(28) 2.961(10) . 2_756 ?
F(28) C(10) 3.31(1) . 2_656 ?
F(28) C(10) 3.336(9) . 1_655 ?
F(28) C(9) 3.43(1) . 2_656 ?
F(29) C(41) 3.492(8) . 1_655 ?
F(29) C(10) 3.59(1) . 2_656 ?
F(30) C(15) 3.50(1) . 1_655 ?
F(30) C(24) 3.548(7) . 1_655 ?
F(30) C(9) 3.577(9) . 1_655 ?
F(32) C(3) 3.46(3) . 2_566 ?
F(32) C(57) 3.59(2) . 1_565 ?
F(33) C(4) 3.45(2) . 2_566 ?
F(33) C(49) 3.52(2) . 1_565 ?
C(1) C(23) 3.46(1) . 2_566 ?
C(2) C(22) 3.58(1) . 2_566 ?
C(16) C(47) 3.57(1) . 2_556 ?
C(18) C(59) 3.51(2) . 2_666 ?
C(45) C(47) 3.588(9) . 2_657 ?
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------

# Attachment '- 3-C2H4-Ph Pt3Ph(ethylene)2.cif'

data_usui8
_database_code_depnum_ccdc_archive 'CCDC 773675'
#TrackingRef '- 3-C2H4-Ph Pt3Ph(ethylene)2.cif'

_audit_creation_date             'Thu Nov 26 02:04:13 2009'
_audit_creation_method           'by teXsan'
_audit_update_record             ?
#------------------------------------------------------------------------------

#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C56 H39 B F24 Pt3 '
_chemical_formula_moiety         ?
_chemical_formula_weight         1763.97
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2+x,1/2-y,1/2+z
_cell_length_a                   11.4558(4)
_cell_length_b                   19.1713(7)
_cell_length_c                   25.517(1)
_cell_angle_alpha                90
_cell_angle_beta                 103.809(1)
_cell_angle_gamma                90
_cell_volume                     5442.2(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    28245
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    123.2
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            reddish
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    2.153
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    7.783
_exptl_absorpt_correction_type   none
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            53410
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_theta_max         27.48
_diffrn_measured_fraction_theta_max 0.9972
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.9972
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       33
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > 2.0 sigma(F^2^). The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F, with F set to zero
for negative F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             12424
_reflns_number_gt                5862
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.0563
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_reflns         5862
_refine_ls_number_parameters     757
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_shift/su_max          3.1149
_refine_diff_density_max         1.45
_refine_diff_density_min         -1.24
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
B B 0.001 0.001
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt -0.07305(5) 0.28730(3) 0.48961(2) 0.0428(2) Uani 1.00 d . . .
Pt(2) Pt -0.07283(5) 0.27030(3) 0.37944(2) 0.0442(2) Uani 1.00 d . . .
Pt(3) Pt 0.03816(5) 0.17158(3) 0.45323(2) 0.0440(2) Uani 1.00 d . . .
F(1) F -0.392(1) 0.172(2) 0.5775(6) 0.30(2) Uani 1.00 d . . .
F(2) F -0.548(1) 0.1379(9) 0.5803(5) 0.182(7) Uani 1.00 d . . .
F(3) F -0.492(3) 0.228(1) 0.6071(7) 0.36(1) Uani 1.00 d . . .
F(4) F -0.5871(9) 0.0071(6) 0.7364(5) 0.131(5) Uani 1.00 d . . .
F(5) F -0.4697(8) 0.0227(4) 0.8117(4) 0.072(3) Uani 1.00 d . . .
F(6) F -0.421(1) -0.0479(5) 0.7575(4) 0.106(4) Uani 1.00 d . . .
F(7) F -0.1682(7) 0.1185(6) 0.9787(4) 0.085(3) Uani 1.00 d . . .
F(8) F -0.034(1) 0.1924(6) 0.9950(4) 0.112(5) Uani 1.00 d . . .
F(9) F 0.0064(9) 0.0907(6) 1.0202(4) 0.117(4) Uani 1.00 d . . .
F(10) F 0.174(1) -0.0549(6) 0.8947(6) 0.160(7) Uani 1.00 d . . .
F(11) F 0.2919(9) 0.0251(7) 0.8911(6) 0.152(6) Uani 1.00 d . . .
F(12) F 0.1867(10) -0.0126(5) 0.8213(4) 0.105(4) Uani 1.00 d . . .
F(13) F 0.2096(9) 0.3700(5) 0.7410(4) 0.085(3) Uani 1.00 d . . .
F(14) F 0.264(1) 0.3306(5) 0.6751(5) 0.115(5) Uani 1.00 d . . .
F(15) F 0.0997(9) 0.3814(5) 0.6646(4) 0.113(4) Uani 1.00 d . . .
F(16) F 0.2029(10) 0.0917(5) 0.6289(5) 0.114(5) Uani 1.00 d . . .
F(17) F 0.0190(9) 0.0695(6) 0.6071(5) 0.119(4) Uani 1.00 d . . .
F(18) F 0.120(1) 0.0307(5) 0.6776(5) 0.131(5) Uani 1.00 d . . .
F(19) F 0.054(1) 0.115(1) 0.2178(7) 0.219(8) Uani 1.00 d . . .
F(20) F 0.015(1) 0.100(1) 0.2858(7) 0.198(9) Uani 1.00 d . . .
F(21) F 0.106(1) 0.0302(7) 0.2581(9) 0.224(8) Uani 1.00 d . . .
F(22) F 0.4453(10) 0.0366(6) 0.4183(5) 0.132(5) Uani 1.00 d . . .
F(23) F 0.517(2) 0.1326(6) 0.4436(5) 0.172(6) Uani 1.00 d . . .
F(24) F 0.5830(9) 0.0777(8) 0.3899(6) 0.153(6) Uani 1.00 d . . .
C(1) C -0.253(1) 0.2550(9) 0.4555(9) 0.069(6) Uani 1.00 d . . .
C(2) C -0.194(1) 0.2039(10) 0.4926(6) 0.063(5) Uani 1.00 d . . .
C(3) C -0.134(1) 0.1386(9) 0.4783(7) 0.066(6) Uani 1.00 d . . .
C(4) C -0.127(1) 0.1148(8) 0.4270(8) 0.069(6) Uani 1.00 d . . .
C(5) C -0.163(1) 0.1488(10) 0.3783(7) 0.067(6) Uani 1.00 d . . .
C(6) C -0.236(2) 0.2072(10) 0.3654(7) 0.074(6) Uani 1.00 d . . .
C(7) C -0.264(1) 0.2553(9) 0.3998(8) 0.066(6) Uani 1.00 d . . .
C(8) C 0.048(1) 0.3741(9) 0.4577(9) 0.075(6) Uani 1.00 d . . .
C(9) C 0.093(1) 0.347(1) 0.5096(8) 0.073(7) Uani 1.00 d . . .
C(10) C 0.144(2) 0.285(1) 0.5226(7) 0.076(6) Uani 1.00 d . . .
C(11) C 0.192(1) 0.2361(8) 0.4897(8) 0.072(6) Uani 1.00 d . . .
C(12) C 0.179(1) 0.2373(9) 0.4357(8) 0.065(6) Uani 1.00 d . . .
C(13) C 0.121(1) 0.291(1) 0.3962(7) 0.073(6) Uani 1.00 d . . .
C(14) C 0.063(1) 0.3505(9) 0.4086(8) 0.063(5) Uani 1.00 d . . .
C(15) C 0.139(1) 0.0767(8) 0.4928(7) 0.064(5) Uani 1.00 d . . .
C(16) C 0.144(1) 0.0762(8) 0.4407(7) 0.061(5) Uani 1.00 d . . .
C(17) C -0.085(2) 0.2818(9) 0.2922(6) 0.065(5) Uani 1.00 d . . .
C(18) C -0.154(1) 0.3319(8) 0.3061(6) 0.066(5) Uani 1.00 d . . .
C(19) C -0.135(1) 0.3457(8) 0.5441(6) 0.047(5) Uani 1.00 d . . .
C(20) C -0.164(2) 0.4144(9) 0.5347(6) 0.065(6) Uani 1.00 d . . .
C(21) C -0.220(1) 0.4548(9) 0.5697(8) 0.071(6) Uani 1.00 d . . .
C(22) C -0.237(1) 0.425(1) 0.6153(7) 0.068(6) Uani 1.00 d . . .
C(23) C -0.208(2) 0.357(1) 0.6265(7) 0.082(7) Uani 1.00 d . . .
C(24) C -0.151(2) 0.3167(8) 0.5914(8) 0.081(6) Uani 1.00 d . . .
C(25) C -0.2473(10) 0.1530(7) 0.7449(5) 0.036(4) Uani 1.00 d . . .
C(26) C -0.297(1) 0.1718(7) 0.6914(6) 0.046(4) Uani 1.00 d . . .
C(27) C -0.408(1) 0.1447(9) 0.6629(6) 0.065(5) Uani 1.00 d . . .
C(28) C -0.465(1) 0.0925(8) 0.6850(6) 0.056(5) Uani 1.00 d . . .
C(29) C -0.411(1) 0.0700(7) 0.7354(6) 0.046(4) Uani 1.00 d . . .
C(30) C -0.304(1) 0.0998(7) 0.7654(5) 0.038(4) Uani 1.00 d . . .
C(31) C -0.466(2) 0.166(1) 0.609(1) 0.116(10) Uani 1.00 d . . .
C(32) C -0.477(1) 0.0136(9) 0.7607(7) 0.059(5) Uani 1.00 d . . .
C(33) C -0.0541(9) 0.1450(6) 0.8316(5) 0.028(3) Uani 1.00 d . . .
C(34) C -0.0782(10) 0.1517(6) 0.8825(5) 0.036(4) Uani 1.00 d . . .
C(35) C -0.0247(10) 0.1139(7) 0.9280(5) 0.032(4) Uani 1.00 d . . .
C(36) C 0.063(1) 0.0643(7) 0.9237(6) 0.044(4) Uani 1.00 d . . .
C(37) C 0.091(1) 0.0550(6) 0.8748(6) 0.037(4) Uani 1.00 d . . .
C(38) C 0.033(1) 0.0927(7) 0.8302(5) 0.043(4) Uani 1.00 d . . .
C(39) C -0.051(1) 0.1264(9) 0.9802(6) 0.055(5) Uani 1.00 d . . .
C(40) C 0.182(2) 0.0046(9) 0.8708(7) 0.065(6) Uani 1.00 d . . .
C(41) C -0.035(1) 0.2025(6) 0.7388(5) 0.033(4) Uani 1.00 d . . .
C(42) C 0.029(1) 0.2635(6) 0.7327(5) 0.035(4) Uani 1.00 d . . .
C(43) C 0.110(1) 0.2694(7) 0.7006(5) 0.041(4) Uani 1.00 d . . .
C(44) C 0.136(1) 0.2115(8) 0.6732(5) 0.041(4) Uani 1.00 d . . .
C(45) C 0.080(1) 0.1500(7) 0.6776(5) 0.045(4) Uani 1.00 d . . .
C(46) C -0.006(1) 0.1467(7) 0.7087(5) 0.044(4) Uani 1.00 d . . .
C(47) C 0.166(1) 0.3378(8) 0.6954(6) 0.047(5) Uani 1.00 d . . .
C(48) C 0.106(2) 0.0876(9) 0.6484(7) 0.062(6) Uani 1.00 d . . .
C(49) C 0.3420(10) 0.2314(6) 0.2995(5) 0.032(4) Uani 1.00 d . . .
C(50) C 0.236(1) 0.1959(7) 0.2767(6) 0.047(4) Uani 1.00 d . . .
C(51) C 0.215(1) 0.1279(7) 0.2919(6) 0.044(4) Uani 1.00 d . . .
C(52) C 0.293(1) 0.0944(7) 0.3324(6) 0.051(5) Uani 1.00 d . . .
C(53) C 0.396(1) 0.1296(7) 0.3575(6) 0.044(4) Uani 1.00 d . . .
C(54) C 0.419(1) 0.1958(7) 0.3409(5) 0.041(4) Uani 1.00 d . . .
C(55) C 0.100(2) 0.094(1) 0.2637(9) 0.080(7) Uani 1.00 d . . .
C(56) C 0.483(2) 0.0967(9) 0.4012(8) 0.070(6) Uani 1.00 d . . .
B(1) B -0.121(1) 0.1922(7) 0.7792(6) 0.040(4) Uani 1.00 d . . .
H(1) H -0.2555 0.2043 0.6747 0.0602 Uiso 1.00 calc . . .
H(2) H -0.5364 0.0714 0.6648 0.0649 Uiso 1.00 calc . . .
H(3) H -0.2695 0.0818 0.8005 0.0452 Uiso 1.00 calc . . .
H(4) H -0.1390 0.1844 0.8860 0.0429 Uiso 1.00 calc . . .
H(5) H 0.1023 0.0379 0.9541 0.0510 Uiso 1.00 calc . . .
H(6) H 0.0514 0.0831 0.7964 0.0428 Uiso 1.00 calc . . .
H(7) H 0.0150 0.3035 0.7520 0.0475 Uiso 1.00 calc . . .
H(8) H 0.1915 0.2152 0.6505 0.0522 Uiso 1.00 calc . . .
H(9) H -0.0415 0.1022 0.7113 0.0515 Uiso 1.00 calc . . .
H(10) H 0.1764 0.2191 0.2490 0.0585 Uiso 1.00 calc . . .
H(11) H 0.2774 0.0490 0.3434 0.0583 Uiso 1.00 calc . . .
H(12) H 0.4924 0.2187 0.3591 0.0484 Uiso 1.00 calc . . .
H(13) H -0.1443 0.4364 0.5043 0.0740 Uiso 1.00 calc . . .
H(14) H -0.2421 0.5014 0.5608 0.0869 Uiso 1.00 calc . . .
H(15) H -0.2707 0.4505 0.6399 0.0919 Uiso 1.00 calc . . .
H(16) H -0.2258 0.3346 0.6568 0.1002 Uiso 1.00 calc . . .
H(17) H -0.1239 0.2703 0.6012 0.0863 Uiso 1.00 calc . . .
H(18) H -0.2872 0.2908 0.4713 0.0919 Uiso 1.00 calc . . .
H(19) H -0.1840 0.2099 0.5299 0.0729 Uiso 1.00 calc . . .
H(20) H -0.0983 0.1087 0.5072 0.0759 Uiso 1.00 calc . . .
H(21) H -0.0877 0.0694 0.4277 0.0807 Uiso 1.00 calc . . .
H(22) H -0.1364 0.1253 0.3507 0.0789 Uiso 1.00 calc . . .
H(23) H -0.2577 0.2139 0.3270 0.0802 Uiso 1.00 calc . . .
H(24) H -0.3042 0.2932 0.3805 0.0838 Uiso 1.00 calc . . .
H(25) H -0.0020 0.4148 0.4554 0.0966 Uiso 1.00 calc . . .
H(26) H 0.0815 0.3813 0.5362 0.0966 Uiso 1.00 calc . . .
H(27) H 0.1416 0.2732 0.5580 0.0961 Uiso 1.00 calc . . .
H(28) H 0.2378 0.2005 0.5091 0.0907 Uiso 1.00 calc . . .
H(29) H 0.2127 0.1997 0.4208 0.0785 Uiso 1.00 calc . . .
H(30) H 0.1227 0.2839 0.3600 0.0895 Uiso 1.00 calc . . .
H(31) H 0.0248 0.3805 0.3793 0.0698 Uiso 1.00 calc . . .
H(32) H 0.0662 0.0524 0.5196 0.0936 Uiso 1.00 calc . . .
H(33) H 0.2139 0.0800 0.5253 0.0936 Uiso 1.00 calc . . .
H(34) H 0.0037 0.2753 0.2863 0.0936 Uiso 1.00 calc . . .
H(35) H -0.1225 0.2367 0.2762 0.0936 Uiso 1.00 calc . . .
H(36) H -0.2526 0.3211 0.3021 0.0936 Uiso 1.00 calc . . .
H(37) H -0.1101 0.3825 0.3180 0.0936 Uiso 1.00 calc . . .
H(38) H 0.2227 0.0873 0.4358 0.0744 Uiso 1.00 calc . . .
H(39) H 0.0837 0.0404 0.4045 0.0936 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pt(1) 0.0386(3) 0.0453(3) 0.0466(4) -0.0073(3) 0.0145(2) -0.0008(3)
Pt(2) 0.0371(3) 0.0525(4) 0.0425(3) -0.0115(3) 0.0086(2) 0.0042(3)
Pt(3) 0.0389(3) 0.0437(3) 0.0518(4) -0.0035(3) 0.0158(3) 0.0031(3)
F(1) 0.11(1) 0.71(7) 0.08(1) -0.09(2) 0.005(9) 0.11(2)
F(2) 0.15(1) 0.25(2) 0.090(9) -0.08(1) -0.064(9) 0.07(1)
F(3) 0.68(5) 0.19(2) 0.10(1) 0.07(3) -0.13(2) 0.07(1)
F(4) 0.087(7) 0.15(1) 0.13(1) -0.074(8) -0.018(7) 0.062(9)
F(5) 0.095(7) 0.064(6) 0.074(7) -0.014(5) 0.050(6) -0.006(5)
F(6) 0.20(1) 0.037(5) 0.123(9) 0.006(7) 0.114(9) 0.003(6)
F(7) 0.051(5) 0.128(9) 0.087(7) 0.002(6) 0.040(5) -0.015(7)
F(8) 0.17(1) 0.115(9) 0.075(7) -0.058(9) 0.068(7) -0.034(7)
F(9) 0.111(8) 0.19(1) 0.062(7) 0.090(9) 0.040(6) 0.053(8)
F(10) 0.24(2) 0.089(8) 0.21(1) 0.12(1) 0.17(1) 0.079(10)
F(11) 0.052(6) 0.18(1) 0.20(1) 0.066(8) -0.010(7) -0.10(1)
F(12) 0.145(9) 0.101(8) 0.068(7) 0.088(7) 0.025(7) -0.005(6)
F(13) 0.109(8) 0.071(6) 0.070(7) -0.037(6) 0.014(6) -0.004(6)
F(14) 0.121(9) 0.059(6) 0.20(1) -0.029(7) 0.115(9) -0.011(7)
F(15) 0.103(8) 0.067(6) 0.135(10) -0.039(6) -0.042(7) 0.061(7)
F(16) 0.108(8) 0.091(8) 0.18(1) -0.033(7) 0.104(8) -0.059(8)
F(17) 0.099(8) 0.125(10) 0.120(9) 0.017(8) 0.000(7) -0.077(8)
F(18) 0.25(2) 0.053(6) 0.13(1) 0.044(9) 0.12(1) 0.007(7)
F(19) 0.15(1) 0.31(2) 0.15(1) -0.20(2) -0.06(1) 0.04(2)
F(20) 0.081(9) 0.29(2) 0.25(2) -0.11(1) 0.08(1) -0.15(2)
F(21) 0.092(9) 0.076(9) 0.45(3) -0.029(8) -0.05(1) -0.10(1)
F(22) 0.102(8) 0.092(9) 0.18(1) -0.019(7) -0.006(8) 0.075(9)
F(23) 0.27(2) 0.083(9) 0.099(10) 0.03(1) -0.08(1) -0.010(8)
F(24) 0.053(6) 0.21(2) 0.20(1) 0.046(8) 0.034(8) 0.11(1)
C(1) 0.028(7) 0.07(1) 0.11(2) -0.019(8) 0.020(9) -0.04(1)
C(2) 0.059(10) 0.09(1) 0.045(10) -0.04(1) 0.018(8) -0.006(10)
C(3) 0.050(9) 0.06(1) 0.08(1) -0.016(9) -0.004(9) 0.04(1)
C(4) 0.046(9) 0.05(1) 0.10(2) -0.005(8) 0.003(10) -0.02(1)
C(5) 0.057(10) 0.08(1) 0.06(1) -0.02(1) 0.021(9) -0.01(1)
C(6) 0.08(1) 0.07(1) 0.05(1) -0.03(1) -0.019(9) 0.02(1)
C(7) 0.031(8) 0.06(1) 0.10(2) -0.017(8) -0.002(9) 0.01(1)
C(8) 0.042(9) 0.06(1) 0.10(2) -0.016(9) -0.01(1) -0.01(1)
C(9) 0.043(9) 0.09(1) 0.10(2) -0.03(1) 0.04(1) -0.03(1)
C(10) 0.08(1) 0.09(1) 0.06(1) -0.06(1) -0.001(10) 0.03(1)
C(11) 0.06(1) 0.042(10) 0.08(1) 0.011(9) -0.03(1) 0.01(1)
C(12) 0.033(8) 0.06(1) 0.10(1) 0.005(8) 0.013(9) -0.03(1)
C(13) 0.045(9) 0.13(2) 0.06(1) -0.05(1) 0.039(9) -0.05(1)
C(14) 0.041(9) 0.06(1) 0.08(1) -0.019(9) -0.012(9) 0.02(1)
C(15) 0.06(1) 0.05(1) 0.07(1) 0.012(9) 0.019(9) 0.017(10)
C(16) 0.035(8) 0.06(1) 0.10(1) 0.006(8) 0.026(9) 0.01(1)
C(17) 0.08(1) 0.07(1) 0.042(9) -0.02(1) 0.015(9) -0.004(9)
C(18) 0.07(1) 0.06(1) 0.05(1) -0.020(10) -0.012(9) 0.018(9)
C(19) 0.034(7) 0.07(1) 0.043(9) -0.011(8) 0.012(7) 0.000(9)
C(20) 0.09(1) 0.06(1) 0.05(1) -0.01(1) 0.026(9) 0.007(9)
C(21) 0.07(1) 0.06(1) 0.08(1) 0.009(10) 0.01(1) 0.00(1)
C(22) 0.053(10) 0.08(1) 0.07(1) 0.004(10) 0.014(9) -0.03(1)
C(23) 0.10(1) 0.09(1) 0.06(1) 0.00(1) 0.04(1) 0.00(1)
C(24) 0.11(1) 0.05(1) 0.08(1) 0.02(1) 0.00(1) -0.03(1)
C(25) 0.023(6) 0.044(8) 0.043(8) 0.009(6) 0.010(6) 0.007(7)
C(26) 0.033(7) 0.061(10) 0.049(9) -0.023(8) 0.021(7) 0.002(8)
C(27) 0.063(10) 0.07(1) 0.05(1) -0.007(10) -0.001(8) 0.025(9)
C(28) 0.056(9) 0.06(1) 0.053(10) -0.014(9) 0.010(8) -0.002(9)
C(29) 0.060(9) 0.031(8) 0.045(9) -0.017(7) 0.010(7) 0.003(7)
C(30) 0.040(7) 0.038(8) 0.042(8) 0.018(7) 0.018(6) 0.006(7)
C(31) 0.06(1) 0.15(2) 0.12(2) -0.02(1) -0.01(2) 0.10(2)
C(32) 0.06(1) 0.06(1) 0.05(1) -0.034(10) 0.016(9) -0.007(9)
C(33) 0.013(5) 0.032(7) 0.045(8) 0.004(6) 0.017(5) 0.003(6)
C(34) 0.026(6) 0.034(7) 0.054(9) 0.006(6) 0.022(6) -0.004(7)
C(35) 0.022(6) 0.044(8) 0.031(8) 0.012(6) 0.011(5) 0.002(7)
C(36) 0.042(8) 0.041(8) 0.047(9) 0.003(7) 0.005(7) 0.006(7)
C(37) 0.035(7) 0.025(7) 0.053(10) 0.004(6) 0.014(7) -0.004(7)
C(38) 0.061(9) 0.038(8) 0.031(8) -0.009(8) 0.015(7) -0.003(7)
C(39) 0.053(9) 0.06(1) 0.05(1) 0.014(9) 0.012(8) 0.002(9)
C(40) 0.09(1) 0.06(1) 0.05(1) 0.03(1) 0.012(9) 0.016(10)
C(41) 0.028(6) 0.031(7) 0.038(8) 0.008(6) 0.003(6) 0.006(7)
C(42) 0.035(7) 0.029(7) 0.039(8) -0.004(7) 0.007(6) 0.012(7)
C(43) 0.049(8) 0.043(9) 0.029(8) -0.002(8) 0.005(7) 0.010(7)
C(44) 0.034(7) 0.057(10) 0.040(8) -0.007(8) 0.023(6) -0.001(8)
C(45) 0.064(10) 0.041(9) 0.028(8) 0.009(8) 0.009(7) 0.001(7)
C(46) 0.068(9) 0.038(8) 0.029(8) -0.004(8) 0.021(7) 0.010(7)
C(47) 0.030(7) 0.06(1) 0.06(1) 0.007(8) 0.026(7) 0.015(9)
C(48) 0.07(1) 0.05(1) 0.07(1) -0.002(10) 0.03(1) -0.009(10)
C(49) 0.024(6) 0.041(8) 0.037(7) 0.001(6) 0.017(5) -0.011(7)
C(50) 0.049(8) 0.040(8) 0.052(9) -0.017(8) 0.015(7) -0.015(8)
C(51) 0.042(8) 0.047(9) 0.049(9) -0.010(8) 0.020(7) -0.013(8)
C(52) 0.057(9) 0.034(8) 0.07(1) -0.015(8) 0.028(8) -0.011(8)
C(53) 0.038(7) 0.044(9) 0.053(9) 0.001(7) 0.016(7) 0.006(8)
C(54) 0.040(7) 0.040(8) 0.044(9) -0.021(7) 0.013(7) -0.010(7)
C(55) 0.06(1) 0.09(1) 0.09(1) -0.06(1) 0.00(1) 0.01(1)
C(56) 0.06(1) 0.06(1) 0.08(1) -0.02(1) 0.01(1) 0.01(1)
B(1) 0.047(9) 0.018(8) 0.05(1) -0.012(7) 0.001(8) 0.006(7)
#------------------------------------------------------------------------------
_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) Pt(2) 2.8307(8) . . yes
Pt(1) Pt(3) 2.8236(8) . . yes
Pt(1) C(1) 2.13(1) . . yes
Pt(1) C(2) 2.13(1) . . yes
Pt(1) C(8) 2.43(2) . . yes
Pt(1) C(9) 2.18(1) . . yes
Pt(1) C(10) 2.43(2) . . yes
Pt(1) C(19) 2.04(2) . . yes
Pt(2) Pt(3) 2.7570(8) . . yes
Pt(2) C(6) 2.18(2) . . yes
Pt(2) C(7) 2.39(2) . . yes
Pt(2) C(13) 2.19(1) . . yes
Pt(2) C(14) 2.19(1) . . yes
Pt(2) C(17) 2.21(2) . . yes
Pt(2) C(18) 2.22(1) . . yes
Pt(3) C(3) 2.30(2) . . yes
Pt(3) C(4) 2.15(1) . . yes
Pt(3) C(11) 2.18(2) . . yes
Pt(3) C(12) 2.17(2) . . yes
Pt(3) C(15) 2.26(1) . . yes
Pt(3) C(16) 2.26(1) . . yes
F(1) C(31) 1.30(3) . . yes
F(2) C(31) 1.17(2) . . yes
F(3) C(31) 1.22(3) . . yes
F(4) C(32) 1.27(2) . . yes
F(5) C(32) 1.30(2) . . yes
F(6) C(32) 1.35(2) . . yes
F(7) C(39) 1.35(2) . . yes
F(8) C(39) 1.32(2) . . yes
F(9) C(39) 1.27(2) . . yes
F(10) C(40) 1.31(2) . . yes
F(11) C(40) 1.30(2) . . yes
F(12) C(40) 1.32(2) . . yes
F(13) C(47) 1.31(2) . . yes
F(14) C(47) 1.35(2) . . yes
F(15) C(47) 1.27(1) . . yes
F(16) C(48) 1.33(2) . . yes
F(17) C(48) 1.31(2) . . yes
F(18) C(48) 1.31(2) . . yes
F(19) C(55) 1.23(2) . . yes
F(20) C(55) 1.24(2) . . yes
F(21) C(55) 1.23(2) . . yes
F(22) C(56) 1.34(2) . . yes
F(23) C(56) 1.26(2) . . yes
F(24) C(56) 1.30(2) . . yes
C(1) C(2) 1.42(2) . . yes
C(1) C(7) 1.40(2) . . yes
C(2) C(3) 1.51(2) . . yes
C(3) C(4) 1.41(2) . . yes
C(4) C(5) 1.38(2) . . yes
C(5) C(6) 1.38(2) . . yes
C(6) C(7) 1.36(2) . . yes
C(8) C(9) 1.40(2) . . yes
C(8) C(14) 1.38(2) . . yes
C(9) C(10) 1.34(2) . . yes
C(10) C(11) 1.45(3) . . yes
C(11) C(12) 1.35(2) . . yes
C(12) C(13) 1.48(2) . . yes
C(13) C(14) 1.40(2) . . yes
C(15) C(16) 1.35(2) . . yes
C(17) C(18) 1.34(2) . . yes
C(19) C(20) 1.36(2) . . yes
C(19) C(24) 1.38(2) . . yes
C(20) C(21) 1.45(2) . . yes
C(21) C(22) 1.35(2) . . yes
C(22) C(23) 1.35(2) . . yes
C(23) C(24) 1.46(2) . . yes
C(25) C(26) 1.39(2) . . yes
C(25) C(30) 1.38(2) . . yes
C(25) B(1) 1.68(2) . . yes
C(26) C(27) 1.40(2) . . yes
C(27) C(28) 1.39(2) . . yes
C(27) C(31) 1.45(2) . . yes
C(28) C(29) 1.36(2) . . yes
C(29) C(30) 1.40(2) . . yes
C(29) C(32) 1.54(2) . . yes
C(33) C(34) 1.39(2) . . yes
C(33) C(38) 1.42(2) . . yes
C(33) B(1) 1.64(2) . . yes
C(34) C(35) 1.38(2) . . yes
C(35) C(36) 1.41(2) . . yes
C(35) C(39) 1.45(2) . . yes
C(36) C(37) 1.37(2) . . yes
C(37) C(38) 1.38(2) . . yes
C(37) C(40) 1.45(2) . . yes
C(41) C(42) 1.41(2) . . yes
C(41) C(46) 1.40(2) . . yes
C(41) B(1) 1.60(2) . . yes
C(42) C(43) 1.38(2) . . yes
C(43) C(44) 1.38(2) . . yes
C(43) C(47) 1.48(2) . . yes
C(44) C(45) 1.36(2) . . yes
C(45) C(46) 1.40(2) . . yes
C(45) C(48) 1.48(2) . . yes
C(49) C(50) 1.40(2) . . yes
C(49) C(54) 1.38(2) . . yes
C(49) B(1) 1.64(2) . 4_554 yes
C(50) C(51) 1.40(2) . . yes
C(51) C(52) 1.36(2) . . yes
C(51) C(55) 1.49(2) . . yes
C(52) C(53) 1.38(2) . . yes
C(53) C(54) 1.38(2) . . yes
C(53) C(56) 1.45(2) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Pt(2) Pt(1) Pt(3) 58.36(2) . . . yes
Pt(2) Pt(1) C(1) 77.9(6) . . . yes
Pt(2) Pt(1) C(2) 96.0(4) . . . yes
Pt(2) Pt(1) C(8) 67.1(5) . . . yes
Pt(2) Pt(1) C(9) 94.9(5) . . . yes
Pt(2) Pt(1) C(10) 95.6(5) . . . yes
Pt(2) Pt(1) C(19) 145.4(4) . . . yes
Pt(3) Pt(1) C(1) 96.0(4) . . . yes
Pt(3) Pt(1) C(2) 76.6(5) . . . yes
Pt(3) Pt(1) C(8) 95.2(5) . . . yes
Pt(3) Pt(1) C(9) 93.1(5) . . . yes
Pt(3) Pt(1) C(10) 65.9(6) . . . yes
Pt(3) Pt(1) C(19) 155.9(4) . . . yes
C(1) Pt(1) C(2) 38.9(6) . . . yes
C(1) Pt(1) C(8) 129.6(7) . . . yes
C(1) Pt(1) C(9) 162.9(8) . . . yes
C(1) Pt(1) C(10) 161.2(7) . . . yes
C(1) Pt(1) C(19) 88.8(6) . . . yes
C(2) Pt(1) C(8) 162.9(6) . . . yes
C(2) Pt(1) C(9) 158.1(8) . . . yes
C(2) Pt(1) C(10) 126.3(7) . . . yes
C(2) Pt(1) C(19) 93.1(6) . . . yes
C(8) Pt(1) C(9) 34.8(6) . . . yes
C(8) Pt(1) C(10) 60.7(5) . . . yes
C(8) Pt(1) C(19) 99.9(6) . . . yes
C(9) Pt(1) C(10) 33.3(6) . . . yes
C(9) Pt(1) C(19) 88.7(6) . . . yes
C(10) Pt(1) C(19) 105.6(6) . . . yes
Pt(1) Pt(2) Pt(3) 60.69(2) . . . yes
Pt(1) Pt(2) C(6) 91.3(5) . . . yes
Pt(1) Pt(2) C(7) 65.1(5) . . . yes
Pt(1) Pt(2) C(13) 91.5(4) . . . yes
Pt(1) Pt(2) C(14) 75.6(6) . . . yes
Pt(1) Pt(2) C(17) 167.1(5) . . . yes
Pt(1) Pt(2) C(18) 132.6(5) . . . yes
Pt(3) Pt(2) C(6) 88.2(4) . . . yes
Pt(3) Pt(2) C(7) 93.8(4) . . . yes
Pt(3) Pt(2) C(13) 73.1(6) . . . yes
Pt(3) Pt(2) C(14) 94.3(4) . . . yes
Pt(3) Pt(2) C(17) 131.7(5) . . . yes
Pt(3) Pt(2) C(18) 166.6(5) . . . yes
C(6) Pt(2) C(7) 34.4(6) . . . yes
C(6) Pt(2) C(13) 156.6(8) . . . yes
C(6) Pt(2) C(14) 163.2(9) . . . yes
C(6) Pt(2) C(17) 92.5(6) . . . yes
C(6) Pt(2) C(18) 89.4(5) . . . yes
C(7) Pt(2) C(13) 156.6(6) . . . yes
C(7) Pt(2) C(14) 128.8(8) . . . yes
C(7) Pt(2) C(17) 112.9(6) . . . yes
C(7) Pt(2) C(18) 91.6(6) . . . yes
C(13) Pt(2) C(14) 37.2(6) . . . yes
C(13) Pt(2) C(17) 89.9(6) . . . yes
C(13) Pt(2) C(18) 105.6(7) . . . yes
C(14) Pt(2) C(17) 98.2(7) . . . yes
C(14) Pt(2) C(18) 91.8(5) . . . yes
C(17) Pt(2) C(18) 35.2(6) . . . yes
Pt(1) Pt(3) Pt(2) 60.95(2) . . . yes
Pt(1) Pt(3) C(3) 69.0(5) . . . yes
Pt(1) Pt(3) C(4) 93.9(4) . . . yes
Pt(1) Pt(3) C(11) 78.3(5) . . . yes
Pt(1) Pt(3) C(12) 91.5(4) . . . yes
Pt(1) Pt(3) C(15) 135.1(5) . . . yes
Pt(1) Pt(3) C(16) 169.2(4) . . . yes
Pt(2) Pt(3) C(3) 95.3(3) . . . yes
Pt(2) Pt(3) C(4) 84.6(5) . . . yes
Pt(2) Pt(3) C(11) 95.5(4) . . . yes
Pt(2) Pt(3) C(12) 72.8(5) . . . yes
Pt(2) Pt(3) C(15) 164.0(5) . . . yes
Pt(2) Pt(3) C(16) 129.4(4) . . . yes
C(3) Pt(3) C(4) 36.7(6) . . . yes
C(3) Pt(3) C(11) 134.4(8) . . . yes
C(3) Pt(3) C(12) 160.4(6) . . . yes
C(3) Pt(3) C(15) 91.9(6) . . . yes
C(3) Pt(3) C(16) 110.1(6) . . . yes
C(4) Pt(3) C(11) 170.8(8) . . . yes
C(4) Pt(3) C(12) 150.6(8) . . . yes
C(4) Pt(3) C(15) 92.8(6) . . . yes
C(4) Pt(3) C(16) 90.6(5) . . . yes
C(11) Pt(3) C(12) 36.1(6) . . . yes
C(11) Pt(3) C(15) 89.5(5) . . . yes
C(11) Pt(3) C(16) 96.3(6) . . . yes
C(12) Pt(3) C(15) 103.6(6) . . . yes
C(12) Pt(3) C(16) 89.4(5) . . . yes
C(15) Pt(3) C(16) 34.7(5) . . . yes
Pt(1) C(1) C(2) 70.5(8) . . . yes
Pt(1) C(1) C(7) 105(1) . . . yes
C(2) C(1) C(7) 126(1) . . . yes
Pt(1) C(2) C(1) 70.5(9) . . . yes
Pt(1) C(2) C(3) 106.0(10) . . . yes
C(1) C(2) C(3) 125(1) . . . yes
Pt(3) C(3) C(2) 108.0(9) . . . yes
Pt(3) C(3) C(4) 65.8(10) . . . yes
C(2) C(3) C(4) 128(1) . . . yes
Pt(3) C(4) C(3) 77.5(9) . . . yes
Pt(3) C(4) C(5) 95(1) . . . yes
C(3) C(4) C(5) 127(1) . . . yes
C(4) C(5) C(6) 129(1) . . . yes
Pt(2) C(6) C(5) 88(1) . . . yes
Pt(2) C(6) C(7) 81.2(10) . . . yes
C(5) C(6) C(7) 127(1) . . . yes
Pt(2) C(7) C(1) 110.7(9) . . . yes
Pt(2) C(7) C(6) 64(1) . . . yes
C(1) C(7) C(6) 132(1) . . . yes
Pt(1) C(8) C(9) 63.0(10) . . . yes
Pt(1) C(8) C(14) 106(1) . . . yes
C(9) C(8) C(14) 129(1) . . . yes
Pt(1) C(9) C(8) 82.2(10) . . . yes
Pt(1) C(9) C(10) 83(1) . . . yes
C(8) C(9) C(10) 127(1) . . . yes
Pt(1) C(10) C(9) 63.1(10) . . . yes
Pt(1) C(10) C(11) 108(1) . . . yes
C(9) C(10) C(11) 129(1) . . . yes
Pt(3) C(11) C(10) 103(1) . . . yes
Pt(3) C(11) C(12) 71.8(10) . . . yes
C(10) C(11) C(12) 127(1) . . . yes
Pt(3) C(12) C(11) 72(1) . . . yes
Pt(3) C(12) C(13) 108.0(9) . . . yes
C(11) C(12) C(13) 129(1) . . . yes
Pt(2) C(13) C(12) 106(1) . . . yes
Pt(2) C(13) C(14) 71.3(9) . . . yes
C(12) C(13) C(14) 124(1) . . . yes
Pt(2) C(14) C(8) 107(1) . . . yes
Pt(2) C(14) C(13) 71.5(9) . . . yes
C(8) C(14) C(13) 129(1) . . . yes
Pt(3) C(15) C(16) 72.7(9) . . . yes
Pt(3) C(16) C(15) 72.6(10) . . . yes
Pt(2) C(17) C(18) 72(1) . . . yes
Pt(2) C(18) C(17) 72.0(9) . . . yes
Pt(1) C(19) C(20) 121(1) . . . yes
Pt(1) C(19) C(24) 121(1) . . . yes
C(20) C(19) C(24) 117(1) . . . yes
C(19) C(20) C(21) 122(1) . . . yes
C(20) C(21) C(22) 118(1) . . . yes
C(21) C(22) C(23) 120(1) . . . yes
C(22) C(23) C(24) 120(1) . . . yes
C(19) C(24) C(23) 119(1) . . . yes
C(26) C(25) C(30) 116(1) . . . yes
C(26) C(25) B(1) 119(1) . . . yes
C(30) C(25) B(1) 123(1) . . . yes
C(25) C(26) C(27) 121(1) . . . yes
C(26) C(27) C(28) 120(1) . . . yes
C(26) C(27) C(31) 123(1) . . . yes
C(28) C(27) C(31) 116(1) . . . yes
C(27) C(28) C(29) 117(1) . . . yes
C(28) C(29) C(30) 121(1) . . . yes
C(28) C(29) C(32) 117(1) . . . yes
C(30) C(29) C(32) 120(1) . . . yes
C(25) C(30) C(29) 121(1) . . . yes
F(1) C(31) F(2) 101(3) . . . yes
F(1) C(31) F(3) 95(2) . . . yes
F(1) C(31) C(27) 112(1) . . . yes
F(2) C(31) F(3) 106(2) . . . yes
F(2) C(31) C(27) 125(1) . . . yes
F(3) C(31) C(27) 111(2) . . . yes
F(4) C(32) F(5) 108(1) . . . yes
F(4) C(32) F(6) 108(1) . . . yes
F(4) C(32) C(29) 113(1) . . . yes
F(5) C(32) F(6) 105(1) . . . yes
F(5) C(32) C(29) 113(1) . . . yes
F(6) C(32) C(29) 107(1) . . . yes
C(34) C(33) C(38) 112(1) . . . yes
C(34) C(33) B(1) 123(1) . . . yes
C(38) C(33) B(1) 124(1) . . . yes
C(33) C(34) C(35) 125(1) . . . yes
C(34) C(35) C(36) 118(1) . . . yes
C(34) C(35) C(39) 122(1) . . . yes
C(36) C(35) C(39) 119(1) . . . yes
C(35) C(36) C(37) 118(1) . . . yes
C(36) C(37) C(38) 120(1) . . . yes
C(36) C(37) C(40) 118(1) . . . yes
C(38) C(37) C(40) 120(1) . . . yes
C(33) C(38) C(37) 123(1) . . . yes
F(7) C(39) F(8) 101(1) . . . yes
F(7) C(39) F(9) 106(1) . . . yes
F(7) C(39) C(35) 112(1) . . . yes
F(8) C(39) F(9) 105(1) . . . yes
F(8) C(39) C(35) 111(1) . . . yes
F(9) C(39) C(35) 118(1) . . . yes
F(10) C(40) F(11) 104(1) . . . yes
F(10) C(40) F(12) 104(1) . . . yes
F(10) C(40) C(37) 114(1) . . . yes
F(11) C(40) F(12) 101(1) . . . yes
F(11) C(40) C(37) 114(1) . . . yes
F(12) C(40) C(37) 115(1) . . . yes
C(42) C(41) C(46) 112(1) . . . yes
C(42) C(41) B(1) 126(1) . . . yes
C(46) C(41) B(1) 121(1) . . . yes
C(41) C(42) C(43) 125(1) . . . yes
C(42) C(43) C(44) 119(1) . . . yes
C(42) C(43) C(47) 119(1) . . . yes
C(44) C(43) C(47) 120(1) . . . yes
C(43) C(44) C(45) 119(1) . . . yes
C(44) C(45) C(46) 119(1) . . . yes
C(44) C(45) C(48) 120(1) . . . yes
C(46) C(45) C(48) 119(1) . . . yes
C(41) C(46) C(45) 124(1) . . . yes
F(13) C(47) F(14) 102(1) . . . yes
F(13) C(47) F(15) 106(1) . . . yes
F(13) C(47) C(43) 114(1) . . . yes
F(14) C(47) F(15) 105(1) . . . yes
F(14) C(47) C(43) 111(1) . . . yes
F(15) C(47) C(43) 115(1) . . . yes
F(16) C(48) F(17) 104(1) . . . yes
F(16) C(48) F(18) 104(1) . . . yes
F(16) C(48) C(45) 115(1) . . . yes
F(17) C(48) F(18) 101(1) . . . yes
F(17) C(48) C(45) 114(1) . . . yes
F(18) C(48) C(45) 113(1) . . . yes
C(50) C(49) C(54) 114(1) . . . yes
C(50) C(49) B(1) 124(1) . . 4_554 yes
C(54) C(49) B(1) 120(1) . . 4_554 yes
C(49) C(50) C(51) 122(1) . . . yes
C(50) C(51) C(52) 121(1) . . . yes
C(50) C(51) C(55) 117(1) . . . yes
C(52) C(51) C(55) 120(1) . . . yes
C(51) C(52) C(53) 117(1) . . . yes
C(52) C(53) C(54) 120(1) . . . yes
C(52) C(53) C(56) 119(1) . . . yes
C(54) C(53) C(56) 119(1) . . . yes
C(49) C(54) C(53) 123(1) . . . yes
F(19) C(55) F(20) 101(2) . . . yes
F(19) C(55) F(21) 103(2) . . . yes
F(19) C(55) C(51) 116(1) . . . yes
F(20) C(55) F(21) 102(1) . . . yes
F(20) C(55) C(51) 115(1) . . . yes
F(21) C(55) C(51) 114(1) . . . yes
F(22) C(56) F(23) 104(1) . . . yes
F(22) C(56) F(24) 101(1) . . . yes
F(22) C(56) C(53) 114(1) . . . yes
F(23) C(56) F(24) 103(1) . . . yes
F(23) C(56) C(53) 115(1) . . . yes
F(24) C(56) C(53) 115(1) . . . yes
C(25) B(1) C(33) 110.7(10) . . . yes
C(25) B(1) C(41) 107(1) . . . yes
C(25) B(1) C(49) 107(1) . . 4_455 yes
C(33) B(1) C(41) 110(1) . . . yes
C(33) B(1) C(49) 109(1) . . 4_455 yes
C(41) B(1) C(49) 109(1) . . 4_455 yes
#------------------------------------------------------------------------------
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) Pt(2) Pt(3) C(3) 62.3(5) . . . . yes
Pt(1) Pt(2) Pt(3) C(4) 97.5(5) . . . . yes
Pt(1) Pt(2) Pt(3) C(11) -73.3(6) . . . . yes
Pt(1) Pt(2) Pt(3) C(12) -101.7(5) . . . . yes
Pt(1) Pt(2) Pt(3) C(15) 178(1) . . . . yes
Pt(1) Pt(2) Pt(3) C(16) -176.2(5) . . . . yes
Pt(1) Pt(2) C(6) C(5) -90(1) . . . . yes
Pt(1) Pt(2) C(6) C(7) 38.8(10) . . . . yes
Pt(1) Pt(2) C(7) C(1) -8(1) . . . . yes
Pt(1) Pt(2) C(7) C(6) -136(1) . . . . yes
Pt(1) Pt(2) C(13) C(12) 58(1) . . . . yes
Pt(1) Pt(2) C(13) C(14) -63(1) . . . . yes
Pt(1) Pt(2) C(14) C(8) -14(1) . . . . yes
Pt(1) Pt(2) C(14) C(13) 112(1) . . . . yes
Pt(1) Pt(2) C(17) C(18) -21(2) . . . . yes
Pt(1) Pt(2) C(18) C(17) 173.6(7) . . . . yes
Pt(1) Pt(3) Pt(2) C(6) -92.6(6) . . . . yes
Pt(1) Pt(3) Pt(2) C(7) -58.6(5) . . . . yes
Pt(1) Pt(3) Pt(2) C(13) 101.7(4) . . . . yes
Pt(1) Pt(3) Pt(2) C(14) 70.8(6) . . . . yes
Pt(1) Pt(3) Pt(2) C(17) 175.8(5) . . . . yes
Pt(1) Pt(3) Pt(2) C(18) -172(1) . . . . yes
Pt(1) Pt(3) C(3) C(2) 4.8(9) . . . . yes
Pt(1) Pt(3) C(3) C(4) 129.6(10) . . . . yes
Pt(1) Pt(3) C(4) C(3) -46.1(9) . . . . yes
Pt(1) Pt(3) C(4) C(5) 81(1) . . . . yes
Pt(1) Pt(3) C(11) C(10) 16(1) . . . . yes
Pt(1) Pt(3) C(11) C(12) -109.3(10) . . . . yes
Pt(1) Pt(3) C(12) C(11) 67(1) . . . . yes
Pt(1) Pt(3) C(12) C(13) -58(1) . . . . yes
Pt(1) Pt(3) C(15) C(16) -174.7(7) . . . . yes
Pt(1) Pt(3) C(16) C(15) 20(2) . . . . yes
Pt(1) C(1) C(2) C(3) -96(1) . . . . yes
Pt(1) C(1) C(7) Pt(2) 10(1) . . . . yes
Pt(1) C(1) C(7) C(6) 84(2) . . . . yes
Pt(1) C(2) C(1) C(7) 94(1) . . . . yes
Pt(1) C(2) C(3) Pt(3) -6(1) . . . . yes
Pt(1) C(2) C(3) C(4) -79(1) . . . . yes
Pt(1) C(8) C(9) C(10) 75(1) . . . . yes
Pt(1) C(8) C(14) Pt(2) 17(1) . . . . yes
Pt(1) C(8) C(14) C(13) -63(1) . . . . yes
Pt(1) C(9) C(8) C(14) -89(1) . . . . yes
Pt(1) C(9) C(10) C(11) 92(1) . . . . yes
Pt(1) C(10) C(9) C(8) -75(1) . . . . yes
Pt(1) C(10) C(11) Pt(3) -19(1) . . . . yes
Pt(1) C(10) C(11) C(12) 57(2) . . . . yes
Pt(1) C(19) C(20) C(21) 172(1) . . . . yes
Pt(1) C(19) C(24) C(23) -172(1) . . . . yes
Pt(2) Pt(1) Pt(3) C(3) -109.1(4) . . . . yes
Pt(2) Pt(1) Pt(3) C(4) -81.7(6) . . . . yes
Pt(2) Pt(1) Pt(3) C(11) 103.2(5) . . . . yes
Pt(2) Pt(1) Pt(3) C(12) 69.4(5) . . . . yes
Pt(2) Pt(1) Pt(3) C(15) -179.6(6) . . . . yes
Pt(2) Pt(1) Pt(3) C(16) 164(1) . . . . yes
Pt(2) Pt(1) C(1) C(2) 115(1) . . . . yes
Pt(2) Pt(1) C(1) C(7) -8(1) . . . . yes
Pt(2) Pt(1) C(2) C(1) -62(1) . . . . yes
Pt(2) Pt(1) C(2) C(3) 60(1) . . . . yes
Pt(2) Pt(1) C(8) C(9) -140(1) . . . . yes
Pt(2) Pt(1) C(8) C(14) -13.7(10) . . . . yes
Pt(2) Pt(1) C(9) C(8) 36(1) . . . . yes
Pt(2) Pt(1) C(9) C(10) -92(1) . . . . yes
Pt(2) Pt(1) C(10) C(9) 90(1) . . . . yes
Pt(2) Pt(1) C(10) C(11) -35(1) . . . . yes
Pt(2) Pt(1) C(19) C(20) -27(1) . . . . yes
Pt(2) Pt(1) C(19) C(24) 151.9(10) . . . . yes
Pt(2) Pt(3) Pt(1) C(1) 71.8(6) . . . . yes
Pt(2) Pt(3) Pt(1) C(2) 105.8(4) . . . . yes
Pt(2) Pt(3) Pt(1) C(8) -59.0(4) . . . . yes
Pt(2) Pt(3) Pt(1) C(9) -93.8(6) . . . . yes
Pt(2) Pt(3) Pt(1) C(10) -113.6(4) . . . . yes
Pt(2) Pt(3) Pt(1) C(19) 172.4(9) . . . . yes
Pt(2) Pt(3) C(3) C(2) -51(1) . . . . yes
Pt(2) Pt(3) C(3) C(4) 73.6(10) . . . . yes
Pt(2) Pt(3) C(4) C(3) -106.4(9) . . . . yes
Pt(2) Pt(3) C(4) C(5) 21(1) . . . . yes
Pt(2) Pt(3) C(11) C(10) 75(1) . . . . yes
Pt(2) Pt(3) C(11) C(12) -50(1) . . . . yes
Pt(2) Pt(3) C(12) C(11) 126(1) . . . . yes
Pt(2) Pt(3) C(12) C(13) 0(1) . . . . yes
Pt(2) Pt(3) C(15) C(16) 6(2) . . . . yes
Pt(2) Pt(3) C(16) C(15) -177.6(8) . . . . yes
Pt(2) C(6) C(5) C(4) 95(1) . . . . yes
Pt(2) C(6) C(7) C(1) -95(1) . . . . yes
Pt(2) C(7) C(1) C(2) -66(1) . . . . yes
Pt(2) C(7) C(6) C(5) 80(1) . . . . yes
Pt(2) C(13) C(12) Pt(3) 0(1) . . . . yes
Pt(2) C(13) C(12) C(11) -81(1) . . . . yes
Pt(2) C(13) C(14) C(8) 98(1) . . . . yes
Pt(2) C(14) C(8) C(9) 85(1) . . . . yes
Pt(2) C(14) C(13) C(12) -96(1) . . . . yes
Pt(3) Pt(1) Pt(2) C(6) 87.2(5) . . . . yes
Pt(3) Pt(1) Pt(2) C(7) 110.1(5) . . . . yes
Pt(3) Pt(1) Pt(2) C(13) -69.6(6) . . . . yes
Pt(3) Pt(1) Pt(2) C(14) -103.5(5) . . . . yes
Pt(3) Pt(1) Pt(2) C(17) -165(1) . . . . yes
Pt(3) Pt(1) Pt(2) C(18) 177.5(5) . . . . yes
Pt(3) Pt(1) C(1) C(2) 59(1) . . . . yes
Pt(3) Pt(1) C(1) C(7) -64(1) . . . . yes
Pt(3) Pt(1) C(2) C(1) -117(1) . . . . yes
Pt(3) Pt(1) C(2) C(3) 5.0(9) . . . . yes
Pt(3) Pt(1) C(8) C(9) -88(1) . . . . yes
Pt(3) Pt(1) C(8) C(14) 38(1) . . . . yes
Pt(3) Pt(1) C(9) C(8) 94(1) . . . . yes
Pt(3) Pt(1) C(9) C(10) -34(1) . . . . yes
Pt(3) Pt(1) C(10) C(9) 141(1) . . . . yes
Pt(3) Pt(1) C(10) C(11) 16(1) . . . . yes
Pt(3) Pt(1) C(19) C(20) 164.3(8) . . . . yes
Pt(3) Pt(1) C(19) C(24) -16(1) . . . . yes
Pt(3) Pt(2) Pt(1) C(1) -105.0(5) . . . . yes
Pt(3) Pt(2) Pt(1) C(2) -70.3(5) . . . . yes
Pt(3) Pt(2) Pt(1) C(8) 112.1(4) . . . . yes
Pt(3) Pt(2) Pt(1) C(9) 90.7(6) . . . . yes
Pt(3) Pt(2) Pt(1) C(10) 57.2(5) . . . . yes
Pt(3) Pt(2) Pt(1) C(19) -174.5(7) . . . . yes
Pt(3) Pt(2) C(6) C(5) -29(1) . . . . yes
Pt(3) Pt(2) C(6) C(7) 99.4(10) . . . . yes
Pt(3) Pt(2) C(7) C(1) 46(1) . . . . yes
Pt(3) Pt(2) C(7) C(6) -81.2(10) . . . . yes
Pt(3) Pt(2) C(13) C(12) 0.0(10) . . . . yes
Pt(3) Pt(2) C(13) C(14) -122(1) . . . . yes
Pt(3) Pt(2) C(14) C(8) -72(1) . . . . yes
Pt(3) Pt(2) C(14) C(13) 54(1) . . . . yes
Pt(3) Pt(2) C(17) C(18) 175.1(7) . . . . yes
Pt(3) Pt(2) C(18) C(17) -15(2) . . . . yes
Pt(3) C(3) C(2) C(1) 70(1) . . . . yes
Pt(3) C(3) C(4) C(5) -87(1) . . . . yes
Pt(3) C(4) C(3) C(2) 94(1) . . . . yes
Pt(3) C(4) C(5) C(6) -92(1) . . . . yes
Pt(3) C(11) C(10) C(9) -89(1) . . . . yes
Pt(3) C(11) C(12) C(13) 98(1) . . . . yes
Pt(3) C(12) C(11) C(10) -93(1) . . . . yes
Pt(3) C(12) C(13) C(14) 78(1) . . . . yes
F(1) C(31) C(27) C(26) 42(4) . . . . yes
F(1) C(31) C(27) C(28) -134(2) . . . . yes
F(2) C(31) C(27) C(26) 167(2) . . . . yes
F(2) C(31) C(27) C(28) -9(4) . . . . yes
F(3) C(31) C(27) C(26) -62(3) . . . . yes
F(3) C(31) C(27) C(28) 120(2) . . . . yes
F(4) C(32) C(29) C(28) -16(2) . . . . yes
F(4) C(32) C(29) C(30) 159(1) . . . . yes
F(5) C(32) C(29) C(28) -140(1) . . . . yes
F(5) C(32) C(29) C(30) 34(2) . . . . yes
F(6) C(32) C(29) C(28) 103(1) . . . . yes
F(6) C(32) C(29) C(30) -81(1) . . . . yes
F(7) C(39) C(35) C(34) 58(1) . . . . yes
F(7) C(39) C(35) C(36) -125(1) . . . . yes
F(8) C(39) C(35) C(34) -54(1) . . . . yes
F(8) C(39) C(35) C(36) 122(1) . . . . yes
F(9) C(39) C(35) C(34) -177(1) . . . . yes
F(9) C(39) C(35) C(36) -1(2) . . . . yes
F(10) C(40) C(37) C(36) 44(2) . . . . yes
F(10) C(40) C(37) C(38) -135(1) . . . . yes
F(11) C(40) C(37) C(36) -76(2) . . . . yes
F(11) C(40) C(37) C(38) 103(1) . . . . yes
F(12) C(40) C(37) C(36) 166(1) . . . . yes
F(12) C(40) C(37) C(38) -13(2) . . . . yes
F(13) C(47) C(43) C(42) 47(1) . . . . yes
F(13) C(47) C(43) C(44) -133(1) . . . . yes
F(14) C(47) C(43) C(42) 163(1) . . . . yes
F(14) C(47) C(43) C(44) -17(1) . . . . yes
F(15) C(47) C(43) C(42) -76(1) . . . . yes
F(15) C(47) C(43) C(44) 102(1) . . . . yes
F(16) C(48) C(45) C(44) 14(2) . . . . yes
F(16) C(48) C(45) C(46) -167(1) . . . . yes
F(17) C(48) C(45) C(44) -107(1) . . . . yes
F(17) C(48) C(45) C(46) 70(1) . . . . yes
F(18) C(48) C(45) C(44) 135(1) . . . . yes
F(18) C(48) C(45) C(46) -46(2) . . . . yes
F(19) C(55) C(51) C(50) 26(3) . . . . yes
F(19) C(55) C(51) C(52) -156(2) . . . . yes
F(20) C(55) C(51) C(50) -92(2) . . . . yes
F(20) C(55) C(51) C(52) 84(2) . . . . yes
F(21) C(55) C(51) C(50) 147(2) . . . . yes
F(21) C(55) C(51) C(52) -34(3) . . . . yes
F(22) C(56) C(53) C(52) -9(2) . . . . yes
F(22) C(56) C(53) C(54) 172(1) . . . . yes
F(23) C(56) C(53) C(52) -129(1) . . . . yes
F(23) C(56) C(53) C(54) 51(2) . . . . yes
F(24) C(56) C(53) C(52) 108(1) . . . . yes
F(24) C(56) C(53) C(54) -70(2) . . . . yes
C(1) Pt(1) Pt(2) C(6) -17.8(7) . . . . yes
C(1) Pt(1) Pt(2) C(7) 5.1(7) . . . . yes
C(1) Pt(1) Pt(2) C(13) -174.6(8) . . . . yes
C(1) Pt(1) Pt(2) C(14) 151.5(7) . . . . yes
C(1) Pt(1) Pt(2) C(17) 89(1) . . . . yes
C(1) Pt(1) Pt(2) C(18) 72.5(7) . . . . yes
C(1) Pt(1) Pt(3) C(3) -37.4(7) . . . . yes
C(1) Pt(1) Pt(3) C(4) -9.9(9) . . . . yes
C(1) Pt(1) Pt(3) C(11) 174.9(8) . . . . yes
C(1) Pt(1) Pt(3) C(12) 141.1(8) . . . . yes
C(1) Pt(1) Pt(3) C(15) -107.8(8) . . . . yes
C(1) Pt(1) Pt(3) C(16) -124(2) . . . . yes
C(1) Pt(1) C(2) C(3) 122(1) . . . . yes
C(1) Pt(1) C(8) C(9) 169(1) . . . . yes
C(1) Pt(1) C(8) C(14) -63(1) . . . . yes
C(1) Pt(1) C(9) C(8) -27(2) . . . . yes
C(1) Pt(1) C(9) C(10) -156(2) . . . . yes
C(1) Pt(1) C(10) C(9) 158(2) . . . . yes
C(1) Pt(1) C(10) C(11) 33(2) . . . . yes
C(1) Pt(1) C(19) C(20) -93(1) . . . . yes
C(1) Pt(1) C(19) C(24) 85(1) . . . . yes
C(1) C(2) Pt(1) C(8) -54(2) . . . . yes
C(1) C(2) Pt(1) C(9) 178(1) . . . . yes
C(1) C(2) Pt(1) C(10) -163(1) . . . . yes
C(1) C(2) Pt(1) C(19) 84(1) . . . . yes
C(1) C(2) C(3) C(4) -1(2) . . . . yes
C(1) C(7) Pt(2) C(6) 128(1) . . . . yes
C(1) C(7) Pt(2) C(13) -7(2) . . . . yes
C(1) C(7) Pt(2) C(14) -51(1) . . . . yes
C(1) C(7) Pt(2) C(17) -174(1) . . . . yes
C(1) C(7) Pt(2) C(18) -145(1) . . . . yes
C(1) C(7) C(6) C(5) -14(3) . . . . yes
C(2) Pt(1) Pt(2) C(6) 16.9(8) . . . . yes
C(2) Pt(1) Pt(2) C(7) 39.8(7) . . . . yes
C(2) Pt(1) Pt(2) C(13) -139.9(8) . . . . yes
C(2) Pt(1) Pt(2) C(14) -173.8(7) . . . . yes
C(2) Pt(1) Pt(2) C(17) 123(1) . . . . yes
C(2) Pt(1) Pt(2) C(18) 107.2(8) . . . . yes
C(2) Pt(1) Pt(3) C(3) -3.4(6) . . . . yes
C(2) Pt(1) Pt(3) C(4) 24.1(7) . . . . yes
C(2) Pt(1) Pt(3) C(11) -151.0(7) . . . . yes
C(2) Pt(1) Pt(3) C(12) 175.1(7) . . . . yes
C(2) Pt(1) Pt(3) C(15) -73.8(7) . . . . yes
C(2) Pt(1) Pt(3) C(16) -90(2) . . . . yes
C(2) Pt(1) C(1) C(7) -124(1) . . . . yes
C(2) Pt(1) C(8) C(9) -148(2) . . . . yes
C(2) Pt(1) C(8) C(14) -21(2) . . . . yes
C(2) Pt(1) C(9) C(8) 155(1) . . . . yes
C(2) Pt(1) C(9) C(10) 26(2) . . . . yes
C(2) Pt(1) C(10) C(9) -168(1) . . . . yes
C(2) Pt(1) C(10) C(11) 66(1) . . . . yes
C(2) Pt(1) C(19) C(20) -132(1) . . . . yes
C(2) Pt(1) C(19) C(24) 46(1) . . . . yes
C(2) C(1) Pt(1) C(8) 161(1) . . . . yes
C(2) C(1) Pt(1) C(9) -178(1) . . . . yes
C(2) C(1) Pt(1) C(10) 44(2) . . . . yes
C(2) C(1) Pt(1) C(19) -96(1) . . . . yes
C(2) C(1) C(7) C(6) 7(2) . . . . yes
C(2) C(3) Pt(3) C(4) -124(1) . . . . yes
C(2) C(3) Pt(3) C(11) 51(1) . . . . yes
C(2) C(3) Pt(3) C(12) 0(2) . . . . yes
C(2) C(3) Pt(3) C(15) 143(1) . . . . yes
C(2) C(3) Pt(3) C(16) 173(1) . . . . yes
C(2) C(3) C(4) C(5) 7(2) . . . . yes
C(3) Pt(3) Pt(1) C(8) -168.1(6) . . . . yes
C(3) Pt(3) Pt(1) C(9) 157.0(7) . . . . yes
C(3) Pt(3) Pt(1) C(10) 137.2(6) . . . . yes
C(3) Pt(3) Pt(1) C(19) 63.3(10) . . . . yes
C(3) Pt(3) Pt(2) C(6) -30.2(8) . . . . yes
C(3) Pt(3) Pt(2) C(7) 3.7(7) . . . . yes
C(3) Pt(3) Pt(2) C(13) 164.0(7) . . . . yes
C(3) Pt(3) Pt(2) C(14) 133.1(8) . . . . yes
C(3) Pt(3) Pt(2) C(17) -121.9(8) . . . . yes
C(3) Pt(3) Pt(2) C(18) -109(1) . . . . yes
C(3) Pt(3) C(4) C(5) 127(1) . . . . yes
C(3) Pt(3) C(11) C(10) -27(1) . . . . yes
C(3) Pt(3) C(11) C(12) -153.6(10) . . . . yes
C(3) Pt(3) C(12) C(11) 71(2) . . . . yes
C(3) Pt(3) C(12) C(13) -54(2) . . . . yes
C(3) Pt(3) C(15) C(16) 123(1) . . . . yes
C(3) Pt(3) C(16) C(15) -62(1) . . . . yes
C(3) C(2) Pt(1) C(8) 67(2) . . . . yes
C(3) C(2) Pt(1) C(9) -58(2) . . . . yes
C(3) C(2) Pt(1) C(10) -41(1) . . . . yes
C(3) C(2) Pt(1) C(19) -153(1) . . . . yes
C(3) C(2) C(1) C(7) -1(2) . . . . yes
C(3) C(4) Pt(3) C(11) -14(4) . . . . yes
C(3) C(4) Pt(3) C(12) -146(1) . . . . yes
C(3) C(4) Pt(3) C(15) 89(1) . . . . yes
C(3) C(4) Pt(3) C(16) 124(1) . . . . yes
C(3) C(4) C(5) C(6) -14(2) . . . . yes
C(4) Pt(3) Pt(1) C(8) -140.6(7) . . . . yes
C(4) Pt(3) Pt(1) C(9) -175.5(8) . . . . yes
C(4) Pt(3) Pt(1) C(10) 164.7(7) . . . . yes
C(4) Pt(3) Pt(1) C(19) 90(1) . . . . yes
C(4) Pt(3) Pt(2) C(6) 4.9(8) . . . . yes
C(4) Pt(3) Pt(2) C(7) 38.8(7) . . . . yes
C(4) Pt(3) Pt(2) C(13) -160.8(7) . . . . yes
C(4) Pt(3) Pt(2) C(14) 168.2(8) . . . . yes
C(4) Pt(3) Pt(2) C(17) -86.8(8) . . . . yes
C(4) Pt(3) Pt(2) C(18) -74(1) . . . . yes
C(4) Pt(3) C(11) C(10) -15(4) . . . . yes
C(4) Pt(3) C(11) C(12) -141(3) . . . . yes
C(4) Pt(3) C(12) C(11) 168(1) . . . . yes
C(4) Pt(3) C(12) C(13) 41(1) . . . . yes
C(4) Pt(3) C(15) C(16) 86(1) . . . . yes
C(4) Pt(3) C(16) C(15) -94(1) . . . . yes
C(4) C(3) Pt(3) C(11) 176.7(9) . . . . yes
C(4) C(3) Pt(3) C(12) 125(2) . . . . yes
C(4) C(3) Pt(3) C(15) -92(1) . . . . yes
C(4) C(3) Pt(3) C(16) -61(1) . . . . yes
C(4) C(5) C(6) C(7) 17(2) . . . . yes
C(5) C(4) Pt(3) C(11) 112(3) . . . . yes
C(5) C(4) Pt(3) C(12) -18(1) . . . . yes
C(5) C(4) Pt(3) C(15) -142(1) . . . . yes
C(5) C(4) Pt(3) C(16) -108(1) . . . . yes
C(5) C(6) Pt(2) C(7) -128(1) . . . . yes
C(5) C(6) Pt(2) C(13) 6(2) . . . . yes
C(5) C(6) Pt(2) C(14) -128(2) . . . . yes
C(5) C(6) Pt(2) C(17) 102(1) . . . . yes
C(5) C(6) Pt(2) C(18) 137(1) . . . . yes
C(6) Pt(2) Pt(1) C(8) -160.8(7) . . . . yes
C(6) Pt(2) Pt(1) C(9) 177.8(8) . . . . yes
C(6) Pt(2) Pt(1) C(10) 144.4(7) . . . . yes
C(6) Pt(2) Pt(1) C(19) -87.4(9) . . . . yes
C(6) Pt(2) Pt(3) C(11) -165.8(9) . . . . yes
C(6) Pt(2) Pt(3) C(12) 165.7(8) . . . . yes
C(6) Pt(2) Pt(3) C(15) 86(1) . . . . yes
C(6) Pt(2) Pt(3) C(16) 91.3(8) . . . . yes
C(6) Pt(2) C(13) C(12) -38(2) . . . . yes
C(6) Pt(2) C(13) C(14) -160(1) . . . . yes
C(6) Pt(2) C(14) C(8) 25(2) . . . . yes
C(6) Pt(2) C(14) C(13) 152(1) . . . . yes
C(6) Pt(2) C(17) C(18) 85(1) . . . . yes
C(6) Pt(2) C(18) C(17) -95(1) . . . . yes
C(6) C(7) Pt(2) C(13) -135(1) . . . . yes
C(6) C(7) Pt(2) C(14) -179.8(9) . . . . yes
C(6) C(7) Pt(2) C(17) 57(1) . . . . yes
C(6) C(7) Pt(2) C(18) 86(1) . . . . yes
C(7) Pt(2) Pt(1) C(8) -137.8(6) . . . . yes
C(7) Pt(2) Pt(1) C(9) -159.2(7) . . . . yes
C(7) Pt(2) Pt(1) C(10) 167.3(7) . . . . yes
C(7) Pt(2) Pt(1) C(19) -64.4(8) . . . . yes
C(7) Pt(2) Pt(3) C(11) -131.9(8) . . . . yes
C(7) Pt(2) Pt(3) C(12) -160.3(7) . . . . yes
C(7) Pt(2) Pt(3) C(15) 120(1) . . . . yes
C(7) Pt(2) Pt(3) C(16) 125.2(7) . . . . yes
C(7) Pt(2) C(13) C(12) 58(2) . . . . yes
C(7) Pt(2) C(13) C(14) -64(2) . . . . yes
C(7) Pt(2) C(14) C(8) 25(1) . . . . yes
C(7) Pt(2) C(14) C(13) 152(1) . . . . yes
C(7) Pt(2) C(17) C(18) 56(1) . . . . yes
C(7) Pt(2) C(18) C(17) -129(1) . . . . yes
C(7) C(1) Pt(1) C(8) 37(1) . . . . yes
C(7) C(1) Pt(1) C(9) 57(2) . . . . yes
C(7) C(1) Pt(1) C(10) -79(2) . . . . yes
C(7) C(1) Pt(1) C(19) 139(1) . . . . yes
C(7) C(6) Pt(2) C(13) 135(1) . . . . yes
C(7) C(6) Pt(2) C(14) 0(2) . . . . yes
C(7) C(6) Pt(2) C(17) -128(1) . . . . yes
C(7) C(6) Pt(2) C(18) -93(1) . . . . yes
C(8) Pt(1) Pt(2) C(13) 42.5(7) . . . . yes
C(8) Pt(1) Pt(2) C(14) 8.5(6) . . . . yes
C(8) Pt(1) Pt(2) C(17) -53(1) . . . . yes
C(8) Pt(1) Pt(2) C(18) -70.4(7) . . . . yes
C(8) Pt(1) Pt(3) C(11) 44.2(7) . . . . yes
C(8) Pt(1) Pt(3) C(12) 10.4(7) . . . . yes
C(8) Pt(1) Pt(3) C(15) 121.4(7) . . . . yes
C(8) Pt(1) Pt(3) C(16) 105(2) . . . . yes
C(8) Pt(1) C(9) C(10) -128(1) . . . . yes
C(8) Pt(1) C(10) C(9) 30(1) . . . . yes
C(8) Pt(1) C(10) C(11) -95(1) . . . . yes
C(8) Pt(1) C(19) C(20) 36(1) . . . . yes
C(8) Pt(1) C(19) C(24) -144(1) . . . . yes
C(8) C(9) Pt(1) C(10) 128(1) . . . . yes
C(8) C(9) Pt(1) C(19) -109(1) . . . . yes
C(8) C(9) C(10) C(11) 16(2) . . . . yes
C(8) C(14) Pt(2) C(13) -127(1) . . . . yes
C(8) C(14) Pt(2) C(17) 153(1) . . . . yes
C(8) C(14) Pt(2) C(18) 119(1) . . . . yes
C(8) C(14) C(13) C(12) 1(2) . . . . yes
C(9) Pt(1) Pt(2) C(13) 21.1(9) . . . . yes
C(9) Pt(1) Pt(2) C(14) -12.9(7) . . . . yes
C(9) Pt(1) Pt(2) C(17) -75(1) . . . . yes
C(9) Pt(1) Pt(2) C(18) -91.8(8) . . . . yes
C(9) Pt(1) Pt(3) C(11) 9.4(8) . . . . yes
C(9) Pt(1) Pt(3) C(12) -24.5(8) . . . . yes
C(9) Pt(1) Pt(3) C(15) 86.6(8) . . . . yes
C(9) Pt(1) Pt(3) C(16) 70(2) . . . . yes
C(9) Pt(1) C(8) C(14) 126(1) . . . . yes
C(9) Pt(1) C(10) C(11) -125(1) . . . . yes
C(9) Pt(1) C(19) C(20) 69(1) . . . . yes
C(9) Pt(1) C(19) C(24) -111(1) . . . . yes
C(9) C(8) Pt(1) C(10) -29(1) . . . . yes
C(9) C(8) Pt(1) C(19) 73(1) . . . . yes
C(9) C(8) C(14) C(13) 5(2) . . . . yes
C(9) C(10) Pt(1) C(19) -62(1) . . . . yes
C(9) C(10) C(11) C(12) -12(3) . . . . yes
C(10) Pt(1) Pt(2) C(13) -12.4(8) . . . . yes
C(10) Pt(1) Pt(2) C(14) -46.3(7) . . . . yes
C(10) Pt(1) Pt(2) C(17) -108(1) . . . . yes
C(10) Pt(1) Pt(2) C(18) -125.3(7) . . . . yes
C(10) Pt(1) Pt(3) C(11) -10.4(7) . . . . yes
C(10) Pt(1) Pt(3) C(12) -44.3(6) . . . . yes
C(10) Pt(1) Pt(3) C(15) 66.8(7) . . . . yes
C(10) Pt(1) Pt(3) C(16) 50(2) . . . . yes
C(10) Pt(1) C(8) C(14) 97(1) . . . . yes
C(10) Pt(1) C(19) C(20) 98(1) . . . . yes
C(10) Pt(1) C(19) C(24) -82(1) . . . . yes
C(10) C(9) Pt(1) C(19) 121(1) . . . . yes
C(10) C(9) C(8) C(14) -13(2) . . . . yes
C(10) C(11) Pt(3) C(12) 125(1) . . . . yes
C(10) C(11) Pt(3) C(15) -119(1) . . . . yes
C(10) C(11) Pt(3) C(16) -153(1) . . . . yes
C(10) C(11) C(12) C(13) 5(2) . . . . yes
C(11) Pt(3) Pt(1) C(19) -84(1) . . . . yes
C(11) Pt(3) Pt(2) C(13) 28.4(8) . . . . yes
C(11) Pt(3) Pt(2) C(14) -2.5(9) . . . . yes
C(11) Pt(3) Pt(2) C(17) 102.5(8) . . . . yes
C(11) Pt(3) Pt(2) C(18) 114(1) . . . . yes
C(11) Pt(3) C(12) C(13) -126(1) . . . . yes
C(11) Pt(3) C(15) C(16) -101(1) . . . . yes
C(11) Pt(3) C(16) C(15) 79(1) . . . . yes
C(11) C(10) Pt(1) C(19) 172(1) . . . . yes
C(11) C(12) Pt(3) C(15) -69(1) . . . . yes
C(11) C(12) Pt(3) C(16) -101(1) . . . . yes
C(11) C(12) C(13) C(14) -3(2) . . . . yes
C(12) Pt(3) Pt(1) C(19) -118(1) . . . . yes
C(12) Pt(3) Pt(2) C(13) 0.0(7) . . . . yes
C(12) Pt(3) Pt(2) C(14) -30.9(8) . . . . yes
C(12) Pt(3) Pt(2) C(17) 74.1(7) . . . . yes
C(12) Pt(3) Pt(2) C(18) 86(1) . . . . yes
C(12) Pt(3) C(15) C(16) -68(1) . . . . yes
C(12) Pt(3) C(16) C(15) 115(1) . . . . yes
C(12) C(11) Pt(3) C(15) 114(1) . . . . yes
C(12) C(11) Pt(3) C(16) 80(1) . . . . yes
C(12) C(13) Pt(2) C(14) 122(1) . . . . yes
C(12) C(13) Pt(2) C(17) -134(1) . . . . yes
C(12) C(13) Pt(2) C(18) -166(1) . . . . yes
C(13) Pt(2) Pt(1) C(19) 115.9(9) . . . . yes
C(13) Pt(2) Pt(3) C(15) -79(1) . . . . yes
C(13) Pt(2) Pt(3) C(16) -74.5(6) . . . . yes
C(13) Pt(2) C(17) C(18) -117(1) . . . . yes
C(13) Pt(2) C(18) C(17) 66(1) . . . . yes
C(13) C(12) Pt(3) C(15) 163(1) . . . . yes
C(13) C(12) Pt(3) C(16) 131(1) . . . . yes
C(13) C(14) Pt(2) C(17) -78(1) . . . . yes
C(13) C(14) Pt(2) C(18) -113(1) . . . . yes
C(14) Pt(2) Pt(1) C(19) 81.9(8) . . . . yes
C(14) Pt(2) Pt(3) C(15) -110(1) . . . . yes
C(14) Pt(2) Pt(3) C(16) -105.4(8) . . . . yes
C(14) Pt(2) C(17) C(18) -81(1) . . . . yes
C(14) Pt(2) C(18) C(17) 101(1) . . . . yes
C(14) C(8) Pt(1) C(19) -160(1) . . . . yes
C(14) C(13) Pt(2) C(17) 103(1) . . . . yes
C(14) C(13) Pt(2) C(18) 71(1) . . . . yes
C(15) Pt(3) Pt(1) C(19) -7(1) . . . . yes
C(15) Pt(3) Pt(2) C(17) -5(1) . . . . yes
C(15) Pt(3) Pt(2) C(18) 6(2) . . . . yes
C(16) Pt(3) Pt(1) C(19) -23(2) . . . . yes
C(16) Pt(3) Pt(2) C(17) -0.4(7) . . . . yes
C(16) Pt(3) Pt(2) C(18) 11(1) . . . . yes
C(17) Pt(2) Pt(1) C(19) 19(1) . . . . yes
C(18) Pt(2) Pt(1) C(19) 3.0(8) . . . . yes
C(19) C(20) C(21) C(22) 5(2) . . . . yes
C(19) C(24) C(23) C(22) -5(2) . . . . yes
C(20) C(19) C(24) C(23) 6(2) . . . . yes
C(20) C(21) C(22) C(23) -4(2) . . . . yes
C(21) C(20) C(19) C(24) -6(2) . . . . yes
C(21) C(22) C(23) C(24) 4(2) . . . . yes
C(25) C(26) C(27) C(28) -7(2) . . . . yes
C(25) C(26) C(27) C(31) 175(2) . . . . yes
C(25) C(30) C(29) C(28) 0(2) . . . . yes
C(25) C(30) C(29) C(32) -176(1) . . . . yes
C(25) B(1) C(33) C(34) -89(1) . . . . yes
C(25) B(1) C(33) C(38) 89(1) . . . . yes
C(25) B(1) C(41) C(42) 134(1) . . . . yes
C(25) B(1) C(41) C(46) -52(1) . . . . yes
C(26) C(25) C(30) C(29) -4(1) . . . . yes
C(26) C(25) B(1) C(33) -160(1) . . . . yes
C(26) C(25) B(1) C(41) -38(1) . . . . yes
C(26) C(25) B(1) C(49) 79(1) . . . 4_455 yes
C(26) C(27) C(28) C(29) 1(2) . . . . yes
C(27) C(26) C(25) C(30) 8(2) . . . . yes
C(27) C(26) C(25) B(1) -174(1) . . . . yes
C(27) C(28) C(29) C(30) 2(2) . . . . yes
C(27) C(28) C(29) C(32) 178(1) . . . . yes
C(29) C(28) C(27) C(31) 178(2) . . . . yes
C(29) C(30) C(25) B(1) 178(1) . . . . yes
C(30) C(25) B(1) C(33) 16(1) . . . . yes
C(30) C(25) B(1) C(41) 137(1) . . . . yes
C(30) C(25) B(1) C(49) -103(1) . . . 4_455 yes
C(33) C(34) C(35) C(36) 0(1) . . . . yes
C(33) C(34) C(35) C(39) 176(1) . . . . yes
C(33) C(38) C(37) C(36) 3(1) . . . . yes
C(33) C(38) C(37) C(40) -177(1) . . . . yes
C(33) B(1) C(41) C(42) -104(1) . . . . yes
C(33) B(1) C(41) C(46) 69(1) . . . . yes
C(34) C(33) C(38) C(37) -2(1) . . . . yes
C(34) C(33) B(1) C(41) 150(1) . . . . yes
C(34) C(33) B(1) C(49) 29(1) . . . 4_455 yes
C(34) C(35) C(36) C(37) 0(1) . . . . yes
C(35) C(34) C(33) C(38) 1(1) . . . . yes
C(35) C(34) C(33) B(1) -179(1) . . . . yes
C(35) C(36) C(37) C(38) -1(1) . . . . yes
C(35) C(36) C(37) C(40) 179(1) . . . . yes
C(37) C(36) C(35) C(39) -177(1) . . . . yes
C(37) C(38) C(33) B(1) 177(1) . . . . yes
C(38) C(33) B(1) C(41) -29(1) . . . . yes
C(38) C(33) B(1) C(49) -151(1) . . . 4_455 yes
C(41) C(42) C(43) C(44) -2(1) . . . . yes
C(41) C(42) C(43) C(47) 176(1) . . . . yes
C(41) C(46) C(45) C(44) -3(2) . . . . yes
C(41) C(46) C(45) C(48) 178(1) . . . . yes
C(42) C(41) C(46) C(45) 2(1) . . . . yes
C(42) C(41) B(1) C(49) 17(1) . . . 4_455 yes
C(42) C(43) C(44) C(45) 1(1) . . . . yes
C(43) C(42) C(41) C(46) 0(1) . . . . yes
C(43) C(42) C(41) B(1) 174(1) . . . . yes
C(43) C(44) C(45) C(46) 1(1) . . . . yes
C(43) C(44) C(45) C(48) 179(1) . . . . yes
C(45) C(44) C(43) C(47) -177(1) . . . . yes
C(45) C(46) C(41) B(1) -172(1) . . . . yes
C(46) C(41) B(1) C(49) -169(1) . . . 4_455 yes
C(49) C(50) C(51) C(52) 4(2) . . . . yes
C(49) C(50) C(51) C(55) -177(1) . . . . yes
C(49) C(54) C(53) C(52) 0(2) . . . . yes
C(49) C(54) C(53) C(56) 179(1) . . . . yes
C(50) C(49) C(54) C(53) 2(2) . . . . yes
C(50) C(51) C(52) C(53) -1(2) . . . . yes
C(51) C(50) C(49) C(54) -4(1) . . . . yes
C(51) C(50) C(49) B(1) 173(1) . . . 4_554 yes
C(51) C(52) C(53) C(54) -1(2) . . . . yes
C(51) C(52) C(53) C(56) 179(1) . . . . yes
C(53) C(52) C(51) C(55) -178(1) . . . . yes
C(53) C(54) C(49) B(1) -175(1) . . . 4_554 yes
C(53) C(54) C(49) B(1) -175(1) . . . 4_554 yes
#------------------------------------------------------------------------------
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Pt(1) Pt(2) 2.8307(8) . . ?
Pt(1) Pt(3) 2.8236(8) . . ?
Pt(2) Pt(3) 2.7570(8) . . ?
F(1) F(23) 3.41(2) . 1_455 ?
F(1) F(8) 3.50(3) . 4_454 ?
F(1) C(2) 3.55(2) . . ?
F(2) F(16) 3.49(2) . 1_455 ?
F(2) F(22) 3.54(2) . 3_556 ?
F(3) F(8) 3.17(2) . 4_454 ?
F(4) F(13) 3.10(1) . 2_446 ?
F(4) F(18) 3.36(2) . 1_455 ?
F(4) F(15) 3.52(2) . 2_446 ?
F(4) F(16) 3.58(2) . 1_455 ?
F(5) F(15) 3.22(1) . 2_446 ?
F(5) C(22) 3.24(2) . 2_446 ?
F(5) C(14) 3.42(2) . 4_455 ?
F(5) C(18) 3.48(2) . 4_455 ?
F(5) C(21) 3.53(2) . 2_446 ?
F(6) C(52) 3.13(2) . 3_556 ?
F(6) C(51) 3.31(2) . 3_556 ?
F(6) C(22) 3.36(2) . 2_446 ?
F(6) C(53) 3.40(2) . 3_556 ?
F(6) F(15) 3.45(2) . 2_446 ?
F(6) C(23) 3.49(2) . 2_446 ?
F(7) C(9) 3.09(2) . 4_455 ?
F(7) C(8) 3.17(2) . 4_455 ?
F(7) C(14) 3.22(2) . 4_455 ?
F(7) C(10) 3.23(2) . 4_455 ?
F(7) C(11) 3.26(2) . 4_455 ?
F(7) C(13) 3.30(2) . 4_455 ?
F(7) C(12) 3.32(2) . 4_455 ?
F(7) F(10) 3.47(2) . 3_557 ?
F(7) C(21) 3.50(2) . 2_446 ?
F(8) C(11) 3.40(2) . 4_455 ?
F(8) C(12) 3.55(2) . 4_455 ?
F(9) C(21) 3.20(2) . 4_555 ?
F(9) C(22) 3.35(2) . 4_555 ?
F(9) F(10) 3.40(2) . 3_557 ?
F(9) C(36) 3.47(2) . 3_557 ?
F(10) F(14) 3.02(2) . 2_546 ?
F(10) F(15) 3.52(2) . 2_546 ?
F(10) F(19) 3.58(2) . 3_556 ?
F(11) F(15) 3.46(1) . 2_546 ?
F(11) C(8) 3.58(2) . 4_555 ?
F(12) F(14) 3.06(1) . 2_546 ?
F(12) F(15) 3.13(1) . 2_546 ?
F(12) F(13) 3.15(1) . 2_546 ?
F(12) F(19) 3.34(2) . 3_556 ?
F(12) C(47) 3.40(2) . 2_546 ?
F(12) F(21) 3.50(2) . 3_556 ?
F(12) F(20) 3.55(2) . 3_556 ?
F(13) C(6) 3.42(2) . 4_555 ?
F(13) F(20) 3.46(2) . 4_555 ?
F(13) C(5) 3.48(2) . 4_555 ?
F(14) F(19) 3.41(2) . 4_555 ?
F(15) C(24) 3.27(2) . . ?
F(15) C(23) 3.46(2) . . ?
F(16) C(15) 3.38(2) . . ?
F(17) C(16) 3.42(2) . 3_556 ?
F(17) C(15) 3.51(2) . . ?
F(17) C(3) 3.59(2) . . ?
F(18) F(20) 3.20(2) . 3_556 ?
F(18) F(21) 3.58(2) . 3_556 ?
F(20) C(5) 3.60(2) . . ?
F(21) C(38) 3.38(2) . 3_556 ?
F(21) C(30) 3.52(2) . 3_556 ?
F(23) C(1) 3.49(2) . 1_655 ?
F(23) C(2) 3.53(2) . 1_655 ?
F(24) C(5) 3.29(2) . 1_655 ?
F(24) C(4) 3.31(2) . 1_655 ?
F(24) C(6) 3.39(2) . 1_655 ?
C(16) C(52) 3.59(2) . . ?
C(25) C(49) 2.69(2) . 4_455 ?
C(25) C(50) 3.03(2) . 4_455 ?
C(26) C(50) 3.31(2) . 4_455 ?
C(26) C(49) 3.39(2) . 4_455 ?
C(33) C(49) 2.69(2) . 4_455 ?
C(33) C(54) 3.08(2) . 4_455 ?
C(34) C(49) 3.07(2) . 4_455 ?
C(34) C(54) 3.11(2) . 4_455 ?
C(41) C(49) 2.65(2) . 4_455 ?
C(41) C(54) 3.40(2) . 4_455 ?
C(41) C(50) 3.59(2) . 4_455 ?
C(42) C(49) 3.04(2) . 4_455 ?
C(42) C(54) 3.39(2) . 4_455 ?
C(50) B(1) 2.70(2) . 4_554 ?
C(54) B(1) 2.64(2) . 4_554 ?
#------------------------------------------------------------------------------
#------------------------------------------------------------------------------