#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/53/1515309.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1515309
loop_
_publ_author_name
'Ciabatti, Iacopo'
'Femoni, Cristina'
'Iapalucci, Maria Carmela'
'Longoni, Giuliano'
'Zacchini, Stefano'
'Zarra, Salvatore'
_publ_section_title
;
 Surface decorated platinum carbonyl clusters.
;
_journal_issue                   14
_journal_name_full               Nanoscale
_journal_page_first              4166
_journal_page_last               4177
_journal_paper_doi               10.1039/c2nr30400g
_journal_volume                  4
_journal_year                    2012
_chemical_formula_sum
'C195.7 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57'
_chemical_formula_weight         10905.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.550(4)
_cell_angle_beta                 116.364(3)
_cell_angle_gamma                93.478(4)
_cell_formula_units_Z            1
_cell_length_a                   19.014(4)
_cell_length_b                   19.296(8)
_cell_length_c                   20.388(5)
_cell_measurement_reflns_used    8844
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.5175
_cell_measurement_theta_min      2.2365
_cell_volume                     6119(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1887
_diffrn_reflns_av_sigmaI/netI    0.2417
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            57124
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    18.281
_exptl_absorpt_correction_T_max  0.2177
_exptl_absorpt_correction_T_min  0.1140
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.960
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4865
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         4.396
_refine_diff_density_min         -5.209
_refine_diff_density_rms         0.513
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1091
_refine_ls_number_reflns         21501
_refine_ls_number_restraints     824
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.2144
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1148P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2214
_refine_ls_wR_factor_ref         0.2842
_reflns_number_gt                9457
_reflns_number_total             21501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2nr30400g.txt
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum
'C195.70 H193.96 Br12.57 Cd12 N10.57 O30.57 P6 Pt26.57'
_cod_database_code               1515309
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.02074(8) 0.43858(9) 0.41807(8) 0.0338(4) Uani 1 1 d . . .
Pt2 Pt 0.95859(8) 0.30469(9) 0.42184(8) 0.0336(4) Uani 1 1 d . . .
Pt3 Pt 0.95448(8) 0.55903(9) 0.43994(8) 0.0327(4) Uani 1 1 d . . .
Pt4 Pt 1.08267(8) 0.56750(9) 0.40696(8) 0.0336(4) Uani 1 1 d . . .
Pt5 Pt 0.86385(8) 0.42818(9) 0.29853(8) 0.0334(4) Uani 1 1 d . A .
Pt6 Pt 0.89478(9) 0.43198(9) 0.44704(8) 0.0350(4) Uani 1 1 d . . .
Pt7 Pt 1.17629(8) 0.44351(9) 0.53109(8) 0.0350(4) Uani 1 1 d . . .
Pt8 Pt 0.92290(8) 0.57599(9) 0.31050(8) 0.0350(4) Uani 1 1 d . . .
Pt9 Pt 0.95967(9) 0.31864(9) 0.28614(8) 0.0370(4) Uani 1 1 d . A .
Pt10 Pt 1.12431(9) 0.42548(10) 0.36790(8) 0.0376(4) Uani 1 1 d . A .
Pt11 Pt 0.81530(9) 0.31189(10) 0.43693(8) 0.0402(4) Uani 1 1 d . . .
Pt12 Pt 0.74390(9) 0.40702(10) 0.34470(8) 0.0401(4) Uani 1 1 d . . .
Pt13 Pt 1.10896(8) 0.32648(9) 0.55922(8) 0.0363(4) Uani 1 1 d . . .
Cd1 Cd 1.09798(16) 0.30100(17) 0.40376(15) 0.0380(7) Uani 1 1 d . A .
Cd2 Cd 0.96299(16) 0.29385(17) 0.55842(15) 0.0372(7) Uani 1 1 d . . .
Cd3 Cd 0.80950(15) 0.28563(17) 0.28929(15) 0.0390(7) Uani 1 1 d . A .
Cd4 Cd 0.77770(15) 0.54067(17) 0.31087(15) 0.0370(7) Uani 1 1 d . . .
Cd5 Cd 0.98342(15) 0.44614(17) 0.25497(15) 0.0363(7) Uani 1 1 d . . .
Cd6 Cd 1.24020(15) 0.56090(18) 0.50383(16) 0.0390(7) Uani 1 1 d . . .
Br1 Br 1.1618(3) 0.1908(3) 0.3689(3) 0.0722(15) Uani 1 1 d . . .
Br2 Br 0.9241(3) 0.1791(3) 0.5817(3) 0.0551(12) Uani 1 1 d . . .
Br3 Br 0.7183(3) 0.1639(3) 0.1666(3) 0.0929(19) Uani 1 1 d U . .
Br4 Br 0.6463(2) 0.5367(3) 0.1945(2) 0.0571(12) Uani 1 1 d . A .
Br5 Br 0.9454(3) 0.4190(3) 0.1104(2) 0.0567(12) Uani 1 1 d . A .
Br6 Br 1.3718(3) 0.5873(4) 0.5024(4) 0.097(2) Uani 1 1 d DU A .
Pt17 Pt 0.6544(10) 0.2758(11) 0.3229(10) 0.194(9) Uiso 0.281(9) 1 d P A 1
Br7 Br 0.5209(10) 0.1955(14) 0.2602(14) 0.083(8) Uani 0.281(9) 1 d P A 1
C1 C 0.903(2) 0.594(3) 0.2240(19) 0.046(8) Uani 1 1 d U . .
C2 C 1.129(2) 0.602(2) 0.358(2) 0.044(7) Uani 1 1 d U . .
C3 C 1.195(3) 0.419(3) 0.333(3) 0.074(10) Uani 1 1 d U . .
C4 C 0.796(2) 0.395(2) 0.194(2) 0.038(7) Uani 1 1 d U . .
C5 C 0.921(2) 0.239(2) 0.192(2) 0.045(7) Uani 1 1 d U . .
C6 C 0.938(2) 0.201(3) 0.378(2) 0.054(8) Uani 1 1 d U . .
C7 C 1.146(2) 0.243(2) 0.564(2) 0.047(8) Uani 1 1 d U A .
C8 C 0.756(3) 0.234(4) 0.425(3) 0.099(11) Uani 1 1 d U A .
C9 C 0.636(4) 0.387(4) 0.287(3) 0.098(12) Uani 1 1 d U . .
C10 C 1.267(3) 0.422(3) 0.549(3) 0.064(9) Uani 1 1 d U . .
O1 O 0.8941(14) 0.6018(16) 0.1663(12) 0.046(6) Uani 1 1 d U A .
O2 O 1.1536(14) 0.6181(15) 0.3206(14) 0.042(6) Uani 1 1 d U A .
O3 O 1.2340(17) 0.406(2) 0.2986(18) 0.073(9) Uani 1 1 d U A .
O4 O 0.7523(14) 0.3685(15) 0.1245(14) 0.043(6) Uani 1 1 d U A .
O5 O 0.8958(15) 0.1924(17) 0.1288(15) 0.055(7) Uani 1 1 d U A .
O6 O 0.9311(16) 0.1318(19) 0.3581(16) 0.059(7) Uani 1 1 d U A .
O7 O 1.1630(15) 0.1853(16) 0.5573(16) 0.055(7) Uani 1 1 d U . .
O8 O 0.724(2) 0.174(2) 0.424(2) 0.100(10) Uani 1 1 d U . .
O9 O 0.570(2) 0.387(2) 0.256(2) 0.105(11) Uani 1 1 d U A .
O10 O 1.3281(17) 0.3951(19) 0.5616(16) 0.064(8) Uani 1 1 d U A .
P1 P 0.6557(6) 0.6801(7) 0.0212(6) 0.052(3) Uani 1 1 d . . .
C101 C 0.679(2) 0.699(2) -0.0477(18) 0.108(6) Uani 1 1 d GU . .
C102 C 0.726(2) 0.659(2) -0.075(2) 0.108(6) Uani 1 1 d GU . .
H102 H 0.7420 0.6183 -0.0609 0.130 Uiso 1 1 calc R . .
C103 C 0.7494(19) 0.679(2) -0.1232(19) 0.108(6) Uani 1 1 d GU . .
H103 H 0.7814 0.6521 -0.1419 0.130 Uiso 1 1 calc R . .
C104 C 0.726(2) 0.739(2) -0.1439(18) 0.108(6) Uani 1 1 d GU . .
H104 H 0.7420 0.7529 -0.1767 0.130 Uiso 1 1 calc RD . .
C105 C 0.679(2) 0.779(2) -0.116(2) 0.108(6) Uani 1 1 d GU . .
H105 H 0.6632 0.8199 -0.1306 0.130 Uiso 1 1 calc R . .
C106 C 0.6558(19) 0.759(2) -0.0683(19) 0.108(6) Uani 1 1 d GU . .
H106 H 0.6238 0.7861 -0.0496 0.130 Uiso 1 1 calc RD . .
C107 C 0.7372(15) 0.7337(15) 0.1200(12) 0.062(4) Uani 1 1 d GU . .
C108 C 0.7587(16) 0.7069(12) 0.1799(16) 0.062(4) Uani 1 1 d GU . .
H108 H 0.7303 0.6583 0.1684 0.074 Uiso 1 1 calc R . .
C109 C 0.8218(17) 0.7511(15) 0.2567(14) 0.062(4) Uani 1 1 d GU . .
H109 H 0.8366 0.7327 0.2976 0.074 Uiso 1 1 calc R . .
C110 C 0.8634(15) 0.8221(15) 0.2736(12) 0.062(4) Uani 1 1 d GU . .
H110 H 0.9033 0.8501 0.3222 0.074 Uiso 1 1 calc RD . .
C111 C 0.8419(16) 0.8489(12) 0.2137(16) 0.062(4) Uani 1 1 d GU . .
H111 H 0.8703 0.8974 0.2252 0.074 Uiso 1 1 calc R . .
C112 C 0.7788(17) 0.8047(16) 0.1369(14) 0.062(4) Uani 1 1 d GU . .
H112 H 0.7641 0.8230 0.0959 0.074 Uiso 1 1 calc R . .
C113 C 0.6435(17) 0.5813(12) 0.0021(16) 0.056(4) Uani 1 1 d GU . .
C114 C 0.5687(13) 0.5307(16) -0.0346(15) 0.056(4) Uani 1 1 d GU . .
H114 H 0.5204 0.5475 -0.0528 0.067 Uiso 1 1 calc R . .
C115 C 0.5647(12) 0.4553(14) -0.0448(15) 0.056(4) Uani 1 1 d GU . .
H115 H 0.5137 0.4207 -0.0699 0.067 Uiso 1 1 calc R . .
C116 C 0.6355(16) 0.4307(12) -0.0182(16) 0.056(4) Uani 1 1 d GU . .
H116 H 0.6327 0.3792 -0.0252 0.067 Uiso 1 1 calc R . .
C117 C 0.7102(13) 0.4813(16) 0.0185(15) 0.056(4) Uani 1 1 d GU . .
H117 H 0.7585 0.4644 0.0367 0.067 Uiso 1 1 calc R . .
C118 C 0.7142(12) 0.5566(14) 0.0287(15) 0.056(4) Uani 1 1 d GU . .
H118 H 0.7653 0.5912 0.0538 0.067 Uiso 1 1 calc R . .
C119 C 0.5627(12) 0.7045(16) 0.0091(15) 0.054(4) Uani 1 1 d GU . .
C120 C 0.4963(15) 0.6808(15) -0.0673(12) 0.054(4) Uani 1 1 d GU . .
H120 H 0.4990 0.6482 -0.1124 0.065 Uiso 1 1 calc R . .
C121 C 0.4261(12) 0.7047(16) -0.0776(11) 0.054(4) Uani 1 1 d GU . .
H121 H 0.3807 0.6884 -0.1297 0.065 Uiso 1 1 calc R . .
C122 C 0.4222(12) 0.7523(16) -0.0115(15) 0.054(4) Uani 1 1 d GU . .
H122 H 0.3741 0.7686 -0.0186 0.065 Uiso 1 1 calc R . .
C123 C 0.4885(15) 0.7761(15) 0.0648(12) 0.054(4) Uani 1 1 d GU . .
H123 H 0.4858 0.8086 0.1099 0.065 Uiso 1 1 calc R . .
C124 C 0.5588(12) 0.7522(16) 0.0751(11) 0.054(4) Uani 1 1 d GU . .
H124 H 0.6041 0.7684 0.1272 0.065 Uiso 1 1 calc R . .
P2 P 0.4274(7) 0.8376(8) 0.2945(7) 0.058(3) Uani 1 1 d . . .
C201 C 0.3560(17) 0.812(2) 0.1910(13) 0.097(7) Uani 1 1 d GU . .
C202 C 0.307(2) 0.739(2) 0.1468(19) 0.097(7) Uani 1 1 d GU . .
H202 H 0.3118 0.7038 0.1714 0.116 Uiso 1 1 calc R . .
C203 C 0.2495(17) 0.7162(17) 0.0666(19) 0.097(7) Uani 1 1 d GU . .
H203 H 0.2158 0.6661 0.0364 0.116 Uiso 1 1 calc R . .
C204 C 0.2420(16) 0.767(2) 0.0306(13) 0.097(7) Uani 1 1 d GU . .
H204 H 0.2030 0.7519 -0.0242 0.116 Uiso 1 1 calc R . .
C205 C 0.2914(19) 0.841(2) 0.0748(19) 0.097(7) Uani 1 1 d GU . .
H205 H 0.2866 0.8728 0.0520 0.116 Uiso 1 1 calc RD . .
C206 C 0.3484(17) 0.8629(17) 0.1550(19) 0.097(7) Uani 1 1 d GU . .
H206 H 0.3822 0.9131 0.1853 0.116 Uiso 1 1 calc R . .
C207 C 0.5071(14) 0.7912(17) 0.3076(17) 0.070(5) Uani 1 1 d GU . .
C208 C 0.5044(13) 0.7355(18) 0.2417(13) 0.070(5) Uani 1 1 d GU . .
H208 H 0.4592 0.7214 0.1898 0.084 Uiso 1 1 calc R . .
C209 C 0.5679(16) 0.7003(16) 0.2517(14) 0.070(5) Uani 1 1 d GU . .
H209 H 0.5661 0.6622 0.2066 0.084 Uiso 1 1 calc R . .
C210 C 0.6340(14) 0.7209(17) 0.3275(16) 0.070(5) Uani 1 1 d GU . .
H210 H 0.6774 0.6969 0.3344 0.084 Uiso 1 1 calc R . .
C211 C 0.6367(13) 0.7767(18) 0.3934(12) 0.070(5) Uani 1 1 d GU . .
H211 H 0.6819 0.7908 0.4453 0.084 Uiso 1 1 calc R . .
C212 C 0.5732(16) 0.8119(16) 0.3835(14) 0.070(5) Uani 1 1 d GU . .
H212 H 0.5750 0.8500 0.4285 0.084 Uiso 1 1 calc R . .
C213 C 0.3686(19) 0.818(2) 0.335(2) 0.090(6) Uani 1 1 d GU . .
C214 C 0.302(2) 0.8490(18) 0.3264(19) 0.090(6) Uani 1 1 d GU . .
H214 H 0.2900 0.8829 0.3005 0.108 Uiso 1 1 calc R . .
C215 C 0.2538(16) 0.8299(19) 0.356(2) 0.090(6) Uani 1 1 d GU . .
H215 H 0.2085 0.8508 0.3497 0.108 Uiso 1 1 calc R . .
C216 C 0.2717(18) 0.780(2) 0.3935(19) 0.090(6) Uani 1 1 d GU . .
H216 H 0.2386 0.7672 0.4135 0.108 Uiso 1 1 calc R . .
C217 C 0.338(2) 0.7497(18) 0.4022(19) 0.090(6) Uani 1 1 d GU . .
H217 H 0.3503 0.7157 0.4281 0.108 Uiso 1 1 calc R . .
C218 C 0.3865(16) 0.769(2) 0.373(2) 0.090(6) Uani 1 1 d GU . .
H218 H 0.4318 0.7479 0.3789 0.108 Uiso 1 1 calc R . .
C219 C 0.469(2) 0.9361(15) 0.336(2) 0.090(6) Uani 1 1 d GU . .
C220 C 0.525(2) 0.9589(19) 0.3161(18) 0.090(6) Uani 1 1 d GU . .
H220 H 0.5362 0.9224 0.2795 0.108 Uiso 1 1 calc R . .
C221 C 0.5646(18) 1.035(2) 0.349(2) 0.090(6) Uani 1 1 d GU . .
H221 H 0.6026 1.0508 0.3357 0.108 Uiso 1 1 calc R . .
C222 C 0.548(2) 1.0886(15) 0.4030(19) 0.090(6) Uani 1 1 d GU . .
H222 H 0.5754 1.1407 0.4258 0.108 Uiso 1 1 calc R . .
C223 C 0.493(2) 1.0658(19) 0.4231(18) 0.090(6) Uani 1 1 d GU . .
H223 H 0.4817 1.1023 0.4597 0.108 Uiso 1 1 calc R . .
C224 C 0.4533(19) 0.990(2) 0.390(2) 0.090(6) Uani 1 1 d GU . .
H224 H 0.4153 0.9740 0.4035 0.107 Uiso 1 1 calc R . .
P3 P 0.0322(7) 0.8863(7) 0.0857(7) 0.055(3) Uani 1 1 d . . .
C301 C -0.0303(16) 0.9430(16) 0.1152(16) 0.061(4) Uani 1 1 d GU . .
C302 C -0.1143(17) 0.9176(13) 0.0718(13) 0.061(4) Uani 1 1 d GU . .
H302 H -0.1393 0.8698 0.0274 0.073 Uiso 1 1 calc R . .
C303 C -0.1616(12) 0.9621(17) 0.0934(14) 0.061(4) Uani 1 1 d GU . .
H303 H -0.2147 0.9459 0.0660 0.073 Uiso 1 1 calc RD . .
C304 C -0.1249(16) 1.0320(15) 0.1585(16) 0.061(4) Uani 1 1 d GU . .
H304 H -0.1572 1.0624 0.1732 0.073 Uiso 1 1 calc R . .
C305 C -0.0409(17) 1.0574(13) 0.2019(13) 0.061(4) Uani 1 1 d GU . .
H305 H -0.0159 1.1052 0.2463 0.073 Uiso 1 1 calc R . .
C306 C 0.0064(12) 1.0129(17) 0.1802(14) 0.061(4) Uani 1 1 d GU . .
H306 H 0.0637 1.0303 0.2099 0.073 Uiso 1 1 calc R . .
C307 C -0.0195(14) 0.8393(14) -0.0191(10) 0.051(4) Uani 1 1 d GU . .
C308 C -0.0228(14) 0.7634(14) -0.0566(14) 0.051(4) Uani 1 1 d GU . .
H308 H 0.0026 0.7359 -0.0254 0.061 Uiso 1 1 calc R . .
C309 C -0.0633(15) 0.7276(12) -0.1397(14) 0.051(4) Uani 1 1 d GU . .
H309 H -0.0656 0.6757 -0.1653 0.061 Uiso 1 1 calc R . .
C310 C -0.1005(14) 0.7679(14) -0.1853(10) 0.051(4) Uani 1 1 d GU . .
H310 H -0.1281 0.7434 -0.2420 0.061 Uiso 1 1 calc R . .
C311 C -0.0971(14) 0.8438(14) -0.1478(13) 0.051(4) Uani 1 1 d GU . .
H311 H -0.1225 0.8713 -0.1790 0.061 Uiso 1 1 calc R . .
C312 C -0.0566(15) 0.8796(11) -0.0647(14) 0.051(4) Uani 1 1 d GU . .
H312 H -0.0543 0.9315 -0.0391 0.061 Uiso 1 1 calc R . .
C313 C 0.0506(17) 0.8196(14) 0.1311(16) 0.058(4) Uani 1 1 d GU . .
C314 C 0.0025(14) 0.8056(15) 0.1627(16) 0.058(4) Uani 1 1 d GU . .
H314 H -0.0368 0.8337 0.1631 0.070 Uiso 1 1 calc R . .
C315 C 0.0118(15) 0.7505(16) 0.1936(15) 0.058(4) Uani 1 1 d GU . .
H315 H -0.0211 0.7409 0.2151 0.070 Uiso 1 1 calc R . .
C316 C 0.0692(16) 0.7094(14) 0.1930(15) 0.058(4) Uani 1 1 d GU . .
H316 H 0.0755 0.6717 0.2142 0.070 Uiso 1 1 calc R . .
C317 C 0.1173(14) 0.7234(15) 0.1615(15) 0.058(4) Uani 1 1 d GU . .
H317 H 0.1566 0.6953 0.1611 0.070 Uiso 1 1 calc R . .
C318 C 0.1080(15) 0.7785(16) 0.1305(15) 0.058(4) Uani 1 1 d GU . .
H318 H 0.1409 0.7880 0.1090 0.070 Uiso 1 1 calc R . .
C319 C 0.1300(15) 0.9413(18) 0.1194(17) 0.071(5) Uani 1 1 d GU . .
C320 C 0.1847(18) 0.9733(19) 0.2011(16) 0.071(5) Uani 1 1 d GU . .
H320 H 0.1727 0.9601 0.2365 0.086 Uiso 1 1 calc R . .
C321 C 0.2570(16) 1.0247(18) 0.2309(12) 0.072(5) Uani 1 1 d GU . .
H321 H 0.2944 1.0466 0.2867 0.086 Uiso 1 1 calc R . .
C322 C 0.2746(14) 1.0441(17) 0.1790(17) 0.072(5) Uani 1 1 d GU . .
H322 H 0.3203 1.0767 0.1979 0.086 Uiso 1 1 calc R . .
C323 C 0.2198(17) 1.0121(18) 0.0973(15) 0.072(5) Uani 1 1 d GU . .
H323 H 0.2309 1.0243 0.0645 0.086 Uiso 1 1 calc RD . .
C324 C 0.1475(16) 0.9607(18) 0.0675(13) 0.072(5) Uani 1 1 d GU . .
H324 H 0.1101 0.9388 0.0117 0.086 Uiso 1 1 calc R . .
O401 O 0.335(2) 0.052(3) 0.427(2) 0.131(15) Uiso 1 1 d DU . .
C401 C 0.265(2) 0.044(3) 0.411(3) 0.089(15) Uiso 1 1 d DU . .
H401 H 0.2344 0.0606 0.3696 0.107 Uiso 1 1 calc R . .
N401 N 0.221(2) 0.017(3) 0.438(2) 0.105(14) Uiso 1 1 d DU . .
C402 C 0.268(3) -0.001(4) 0.506(3) 0.14(3) Uiso 1 1 d DU . .
H40A H 0.2366 -0.0168 0.5215 0.211 Uiso 1 1 calc RDU . .
H40B H 0.3062 0.0395 0.5455 0.211 Uiso 1 1 calc RU . .
H40C H 0.2914 -0.0373 0.4918 0.211 Uiso 1 1 calc RU . .
C403 C 0.134(2) 0.007(4) 0.406(3) 0.107(19) Uiso 1 1 d DU . .
H40D H 0.1181 -0.0085 0.4396 0.161 Uiso 1 1 calc RU . .
H40E H 0.1057 -0.0328 0.3512 0.161 Uiso 1 1 calc RU . .
H40F H 0.1197 0.0545 0.4051 0.161 Uiso 1 1 calc RU . .
O501 O 0.637(2) 0.887(3) 0.241(3) 0.143(17) Uiso 1 1 d DU . .
C501 C 0.705(3) 0.908(3) 0.296(3) 0.13(2) Uiso 1 1 d DU . .
H501 H 0.7210 0.8777 0.3265 0.156 Uiso 1 1 calc R . .
N501 N 0.762(2) 0.971(2) 0.320(3) 0.116(16) Uiso 1 1 d DU . .
C502 C 0.732(3) 1.017(3) 0.275(4) 0.15(3) Uiso 1 1 d DU . .
H50A H 0.7752 1.0613 0.2954 0.231 Uiso 1 1 calc RU . .
H50B H 0.6866 1.0339 0.2812 0.231 Uiso 1 1 calc RU . .
H50C H 0.7130 0.9869 0.2184 0.231 Uiso 1 1 calc RU . .
C503 C 0.846(2) 0.992(3) 0.383(3) 0.11(2) Uiso 1 1 d DU . .
H50D H 0.8709 1.0349 0.3880 0.171 Uiso 1 1 calc RU . .
H50E H 0.8700 0.9561 0.3698 0.171 Uiso 1 1 calc RDU . .
H50F H 0.8482 0.9972 0.4281 0.171 Uiso 1 1 calc RU . .
O601 O 0.457(6) 0.229(6) 0.324(6) 0.25(4) Uiso 0.719(9) 1 d PDU A 2
C601 C 0.513(5) 0.224(5) 0.311(6) 0.19(4) Uiso 0.719(9) 1 d PDU A 2
H601 H 0.5590 0.2658 0.3453 0.228 Uiso 0.719(9) 1 calc PR A 2
N601 N 0.522(6) 0.167(5) 0.255(5) 0.17(4) Uiso 0.719(9) 1 d PDU A 2
C602 C 0.559(7) 0.195(6) 0.217(6) 0.20(5) Uiso 0.719(9) 1 d PDU A 2
H60A H 0.5732 0.1530 0.1860 0.293 Uiso 0.719(9) 1 calc PRU A 2
H60B H 0.6080 0.2352 0.2579 0.293 Uiso 0.719(9) 1 calc PRU A 2
H60C H 0.5207 0.2147 0.1811 0.293 Uiso 0.719(9) 1 calc PRU A 2
C603 C 0.483(7) 0.087(5) 0.219(7) 0.23(5) Uiso 0.719(9) 1 d PDU A 2
H60D H 0.5017 0.0616 0.1881 0.351 Uiso 0.719(9) 1 calc PRU A 2
H60E H 0.4305 0.0793 0.1908 0.351 Uiso 0.719(9) 1 calc PRDU A 2
H60F H 0.4941 0.0701 0.2573 0.351 Uiso 0.719(9) 1 calc PRU A 2
O611 O 0.398(6) 0.201(4) 0.442(7) 0.15(5) Uiso 0.281(9) 1 d PDU A 1
C611 C 0.411(5) 0.267(3) 0.455(5) 0.07(3) Uiso 0.281(9) 1 d PDU A 1
H611 H 0.4362 0.3020 0.5091 0.088 Uiso 0.281(9) 1 calc PR A 1
N611 N 0.395(4) 0.298(3) 0.400(4) 0.06(3) Uiso 0.281(9) 1 d PDU A 1
C612 C 0.356(9) 0.241(5) 0.318(4) 0.09(5) Uiso 0.281(9) 1 d PDU A 1
H61A H 0.3682 0.2608 0.2851 0.129 Uiso 0.281(9) 1 calc PRU A 1
H61B H 0.2973 0.2272 0.2964 0.129 Uiso 0.281(9) 1 calc PRU A 1
H61C H 0.3768 0.1953 0.3178 0.129 Uiso 0.281(9) 1 calc PRU A 1
C613 C 0.408(5) 0.377(4) 0.414(5) 0.02(2) Uiso 0.281(9) 1 d PDU A 1
H61D H 0.4301 0.3859 0.3813 0.029 Uiso 0.281(9) 1 calc PRU A 1
H61E H 0.4455 0.4082 0.4705 0.029 Uiso 0.281(9) 1 calc PRU A 1
H61F H 0.3558 0.3918 0.3986 0.029 Uiso 0.281(9) 1 calc PRU A 1
O621 O 0.751(3) 0.410(3) -0.140(4) 0.28(4) Uiso 1 1 d DU . .
C621 C 0.806(3) 0.464(3) -0.086(3) 0.19(3) Uiso 1 1 d DU . .
H621 H 0.8108 0.4730 -0.0349 0.229 Uiso 1 1 calc R . .
N621 N 0.862(2) 0.513(2) -0.084(2) 0.144(19) Uiso 1 1 d DU . .
C622 C 0.854(4) 0.501(4) -0.161(3) 0.14(3) Uiso 1 1 d DU . .
H62A H 0.8953 0.5406 -0.1539 0.217 Uiso 1 1 calc RU . .
H62B H 0.8003 0.5035 -0.1970 0.217 Uiso 1 1 calc RU . .
H62C H 0.8631 0.4512 -0.1837 0.217 Uiso 1 1 calc RU . .
C623 C 0.923(3) 0.579(3) -0.014(3) 0.12(2) Uiso 1 1 d DU . .
H62D H 0.9533 0.6053 -0.0305 0.177 Uiso 1 1 calc RU . .
H62E H 0.9599 0.5615 0.0255 0.177 Uiso 1 1 calc RU . .
H62F H 0.8965 0.6131 0.0093 0.177 Uiso 1 1 calc RU . .
O631 O 0.521(7) -0.033(8) 0.106(8) 0.17(6) Uiso 0.281(9) 1 d PDU A 1
C631 C 0.497(5) 0.008(6) 0.071(7) 0.20(6) Uiso 0.281(9) 1 d PDU A 1
H631 H 0.5372 0.0359 0.0681 0.235 Uiso 0.281(9) 1 calc PR A 1
N631 N 0.422(4) 0.019(4) 0.035(5) 0.18(5) Uiso 0.281(9) 1 d PDU A 1
C632 C 0.361(7) -0.024(10) 0.041(9) 0.10(6) Uiso 0.281(9) 1 d PDU A 1
H63A H 0.3088 -0.0122 0.0149 0.152 Uiso 0.281(9) 1 calc PRU A 1
H63B H 0.3776 -0.0118 0.0971 0.152 Uiso 0.281(9) 1 calc PRU A 1
H63C H 0.3553 -0.0787 0.0137 0.152 Uiso 0.281(9) 1 calc PRU A 1
C633 C 0.398(2) 0.070(3) -0.005(6) 0.10(5) Uiso 0.281(9) 1 d PDU A 1
H63D H 0.3404 0.0686 -0.0231 0.143 Uiso 0.281(9) 1 calc PRU A 1
H63E H 0.4068 0.0546 -0.0508 0.143 Uiso 0.281(9) 1 calc PRU A 1
H63F H 0.4304 0.1222 0.0325 0.143 Uiso 0.281(9) 1 calc PRU A 1
O641 O 0.483(5) 0.646(4) 0.408(5) 0.38(5) Uiso 1 1 d DU . .
C641 C 0.463(4) 0.612(4) 0.338(5) 0.37(4) Uiso 1 1 d DU . .
H641 H 0.4694 0.6450 0.3137 0.445 Uiso 1 1 calc R . .
N641 N 0.434(3) 0.538(4) 0.286(4) 0.27(3) Uiso 1 1 d DU . .
C642 C 0.425(5) 0.485(4) 0.321(5) 0.21(4) Uiso 1 1 d DU . .
H64A H 0.4010 0.4337 0.2792 0.312 Uiso 1 1 calc RU . .
H64B H 0.3908 0.4996 0.3447 0.312 Uiso 1 1 calc RU . .
H64C H 0.4790 0.4875 0.3626 0.312 Uiso 1 1 calc RU . .
C643 C 0.420(5) 0.508(6) 0.205(4) 0.31(6) Uiso 1 1 d DU . .
H64D H 0.3947 0.4535 0.1789 0.471 Uiso 1 1 calc RU . .
H64E H 0.4715 0.5170 0.2055 0.471 Uiso 1 1 calc RU . .
H64F H 0.3837 0.5339 0.1750 0.471 Uiso 1 1 calc RU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Pt10 Pt1 Pt9 71.53(6) . .
Pt10 Pt1 Pt3 126.00(7) . 2_766
Pt9 Pt1 Pt3 125.29(7) . 2_766
Pt10 Pt1 Pt3 124.37(7) . .
Pt9 Pt1 Pt3 124.50(7) . .
Pt3 Pt1 Pt3 89.93(6) 2_766 .
Pt10 Pt1 Pt6 170.27(8) . .
Pt9 Pt1 Pt6 98.79(7) . .
Pt3 Pt1 Pt6 60.11(5) 2_766 .
Pt3 Pt1 Pt6 60.03(6) . .
Pt3 Pt1 Pt6 60.12(6) 2_766 ?
Pt3 Pt1 Pt6 60.00(6) . ?
Pt6 Pt1 Pt6 90.30(6) . ?
Pt10 Pt1 Pt7 65.17(6) . .
Pt9 Pt1 Pt7 113.12(7) . .
Pt3 Pt1 Pt7 61.18(5) 2_766 .
Pt3 Pt1 Pt7 121.73(7) . .
Pt6 Pt1 Pt7 121.27(6) . .
Pt10 Pt1 Pt4 63.73(6) . .
Pt9 Pt1 Pt4 112.89(7) . .
Pt3 Pt1 Pt4 121.22(7) 2_766 .
Pt3 Pt1 Pt4 61.21(6) . .
Pt6 Pt1 Pt4 121.22(7) . .
Pt7 Pt1 Pt4 90.53(6) . .
Pt10 Pt1 Pt2 113.90(8) . .
Pt9 Pt1 Pt2 64.24(6) . .
Pt3 Pt1 Pt2 61.50(5) 2_766 .
Pt3 Pt1 Pt2 120.83(7) . .
Pt6 Pt1 Pt2 60.82(5) . .
Pt7 Pt1 Pt2 89.97(6) . .
Pt4 Pt1 Pt2 177.02(7) . .
Pt10 Pt1 Pt5 112.95(6) . .
Pt9 Pt1 Pt5 64.39(6) . .
Pt3 Pt1 Pt5 120.46(6) 2_766 .
Pt3 Pt1 Pt5 60.65(5) . .
Pt6 Pt1 Pt5 60.34(5) . .
Pt7 Pt1 Pt5 177.46(8) . .
Pt4 Pt1 Pt5 90.05(6) . .
Pt2 Pt1 Pt5 89.32(6) . .
Pt10 Pt1 Cd1 58.45(7) . .
Pt9 Pt1 Cd1 58.13(7) . .
Pt3 Pt1 Cd1 86.27(7) 2_766 .
Pt3 Pt1 Cd1 176.19(7) . .
Pt6 Pt1 Cd1 117.66(8) . .
Pt6 Pt1 Cd1 117.85(8) ? .
Pt7 Pt1 Cd1 56.25(7) . .
Pt4 Pt1 Cd1 121.09(8) . .
Pt2 Pt1 Cd1 57.02(7) . .
Pt5 Pt1 Cd1 121.43(8) . .
Pt10 Pt1 Cd5 57.96(6) . .
Pt9 Pt1 Cd5 57.63(7) . .
Pt3 Pt1 Cd5 175.10(9) 2_766 .
Pt3 Pt1 Cd5 85.23(7) . .
Pt6 Pt1 Cd5 116.44(7) . .
Pt7 Pt1 Cd5 122.26(7) . .
Pt4 Pt1 Cd5 56.76(6) . .
Pt2 Pt1 Cd5 120.63(8) . .
Pt5 Pt1 Cd5 56.25(6) . .
Cd1 Pt1 Cd5 98.57(8) . .
C6 Pt2 Pt6 147.2(12) . .
C6 Pt2 Cd3 85.6(13) . .
Pt6 Pt2 Cd3 67.42(8) . .
C6 Pt2 Pt1 143.8(12) . .
Pt6 Pt2 Pt1 57.84(6) . .
Cd3 Pt2 Pt1 89.81(8) . .
C6 Pt2 Pt3 147.4(13) . 2_766
Pt6 Pt2 Pt3 57.71(6) . 2_766
Cd3 Pt2 Pt3 124.82(9) . 2_766
Pt1 Pt2 Pt3 57.29(5) . 2_766
C6 Pt2 Cd2 87.9(12) . .
Pt6 Pt2 Cd2 89.88(8) . .
Cd3 Pt2 Cd2 119.94(9) . .
Pt1 Pt2 Cd2 124.67(9) . .
Pt3 Pt2 Cd2 67.59(7) 2_766 .
C6 Pt2 Cd1 84.4(12) . .
Pt6 Pt2 Cd1 124.26(9) . .
Cd3 Pt2 Cd1 118.83(9) . .
Pt1 Pt2 Cd1 66.62(7) . .
Pt3 Pt2 Cd1 89.39(8) 2_766 .
Cd2 Pt2 Cd1 119.77(9) . .
C6 Pt2 Pt13 95.4(13) . .
Pt6 Pt2 Pt13 111.35(7) . .
Cd3 Pt2 Pt13 178.56(9) . .
Pt1 Pt2 Pt13 90.08(6) . .
Pt3 Pt2 Pt13 54.04(5) 2_766 .
Cd2 Pt2 Pt13 59.05(7) . .
Cd1 Pt2 Pt13 62.40(7) . .
C6 Pt2 Pt9 93.0(12) . .
Pt6 Pt2 Pt9 90.26(6) . .
Cd3 Pt2 Pt9 61.84(7) . .
Pt1 Pt2 Pt9 53.98(5) . .
Pt3 Pt2 Pt9 110.92(7) 2_766 .
Cd2 Pt2 Pt9 178.08(8) . .
Cd1 Pt2 Pt9 58.69(6) . .
Pt13 Pt2 Pt9 119.15(6) . .
C6 Pt2 Pt11 96.8(12) . .
Pt6 Pt2 Pt11 54.08(5) . .
Cd3 Pt2 Pt11 59.65(7) . .
Pt1 Pt2 Pt11 111.60(7) . .
Pt3 Pt2 Pt11 90.48(6) 2_766 .
Cd2 Pt2 Pt11 62.07(7) . .
Cd1 Pt2 Pt11 177.89(8) . .
Pt13 Pt2 Pt11 119.10(6) . .
Pt9 Pt2 Pt11 119.45(6) . .
Pt8 Pt3 Pt13 72.04(6) . 2_766
Pt8 Pt3 Pt1 170.86(8) . 2_766
Pt13 Pt3 Pt1 98.83(6) 2_766 2_766
Pt8 Pt3 Pt1 99.04(6) . .
Pt13 Pt3 Pt1 171.03(7) 2_766 .
Pt1 Pt3 Pt1 90.07(6) 2_766 .
Pt1 Pt3 Pt6 60.18(5) 2_766 ?
Pt1 Pt3 Pt6 60.09(5) . ?
Pt8 Pt3 Pt6 125.35(7) . .
Pt13 Pt3 Pt6 125.63(7) 2_766 .
Pt1 Pt3 Pt6 60.19(5) 2_766 .
Pt1 Pt3 Pt6 60.06(6) . .
Pt6 Pt3 Pt6 90.38(6) ? .
Pt8 Pt3 Pt7 113.71(6) . 2_766
Pt13 Pt3 Pt7 64.32(6) 2_766 2_766
Pt1 Pt3 Pt7 61.11(5) 2_766 2_766
Pt1 Pt3 Pt7 121.79(7) . 2_766
Pt6 Pt3 Pt7 61.73(5) . 2_766
Pt8 Pt3 Pt5 64.91(6) . .
Pt13 Pt3 Pt5 113.56(7) 2_766 .
Pt1 Pt3 Pt5 120.92(7) 2_766 .
Pt1 Pt3 Pt5 61.82(6) . .
Pt6 Pt3 Pt5 60.76(6) . .
Pt7 Pt3 Pt5 89.71(6) 2_766 .
Pt8 Pt3 Pt4 63.60(5) . .
Pt13 Pt3 Pt4 112.61(7) 2_766 .
Pt1 Pt3 Pt4 121.27(6) 2_766 .
Pt1 Pt3 Pt4 61.10(5) . .
Pt6 Pt3 Pt4 121.16(7) . .
Pt7 Pt3 Pt4 176.74(7) 2_766 .
Pt5 Pt3 Pt4 90.64(6) . .
Pt8 Pt3 Pt2 112.70(7) . 2_766
Pt13 Pt3 Pt2 63.63(6) 2_766 2_766
Pt1 Pt3 Pt2 61.21(5) 2_766 2_766
Pt1 Pt3 Pt2 120.82(7) . 2_766
Pt6 Pt3 Pt2 121.39(6) . 2_766
Pt7 Pt3 Pt2 89.77(6) 2_766 2_766
Pt5 Pt3 Pt2 177.04(7) . 2_766
Pt4 Pt3 Pt2 89.72(6) . 2_766
Pt8 Pt3 Cd4 58.16(6) . .
Pt13 Pt3 Cd4 58.39(7) 2_766 .
Pt1 Pt3 Cd4 117.90(7) 2_766 .
Pt1 Pt3 Cd4 118.07(8) . .
Pt6 Pt3 Cd4 86.43(7) . .
Pt7 Pt3 Cd4 56.97(6) 2_766 .
Pt5 Pt3 Cd4 56.35(7) . .
Pt4 Pt3 Cd4 120.79(7) . .
Pt2 Pt3 Cd4 121.08(8) 2_766 .
Pt8 Pt3 Cd2 57.70(6) . 2_766
Pt13 Pt3 Cd2 57.60(7) 2_766 2_766
Pt1 Pt3 Cd2 117.30(7) 2_766 2_766
Pt1 Pt3 Cd2 117.18(8) . 2_766
Pt6 Pt3 Cd2 175.54(8) . 2_766
Pt7 Pt3 Cd2 120.94(8) 2_766 2_766
Pt5 Pt3 Cd2 121.74(7) . 2_766
Pt4 Pt3 Cd2 56.30(7) . 2_766
Pt2 Pt3 Cd2 56.27(6) 2_766 2_766
Cd4 Pt3 Cd2 98.03(8) . 2_766
C2 Pt4 Cd6 84.3(12) . .
C2 Pt4 Pt1 145.3(13) . .
Cd6 Pt4 Pt1 89.53(8) . .
C2 Pt4 Pt3 147.5(12) . .
Cd6 Pt4 Pt3 125.39(7) . .
Pt1 Pt4 Pt3 57.69(5) . .
C2 Pt4 Cd2 86.6(13) . 2_766
Cd6 Pt4 Cd2 120.00(10) . 2_766
Pt1 Pt4 Cd2 125.21(8) . 2_766
Pt3 Pt4 Cd2 67.79(7) . 2_766
C2 Pt4 Cd5 86.0(12) . .
Cd6 Pt4 Cd5 119.12(10) . .
Pt1 Pt4 Cd5 67.42(7) . .
Pt3 Pt4 Cd5 89.28(7) . .
Cd2 Pt4 Cd5 119.17(9) 2_766 .
C2 Pt4 Pt8 96.0(12) . .
Cd6 Pt4 Pt8 179.17(10) . .
Pt1 Pt4 Pt8 90.68(6) . .
Pt3 Pt4 Pt8 54.14(5) . .
Cd2 Pt4 Pt8 59.26(7) 2_766 .
Cd5 Pt4 Pt8 61.69(7) . .
C2 Pt4 Pt10 93.5(13) . .
Cd6 Pt4 Pt10 61.65(8) . .
Pt1 Pt4 Pt10 54.27(5) . .
Pt3 Pt4 Pt10 111.52(7) . .
Cd2 Pt4 Pt10 178.34(9) 2_766 .
Cd5 Pt4 Pt10 59.20(7) . .
Pt8 Pt4 Pt10 119.08(7) . .
C2 Pt4 Pt11 94.8(12) . 2_766
Cd6 Pt4 Pt11 59.88(8) . 2_766
Pt1 Pt4 Pt11 111.37(6) . 2_766
Pt3 Pt4 Pt11 90.63(6) . 2_766
Cd2 Pt4 Pt11 62.06(7) 2_766 2_766
Cd5 Pt4 Pt11 178.59(9) . 2_766
Pt8 Pt4 Pt11 119.31(7) . 2_766
Pt10 Pt4 Pt11 119.57(7) . 2_766
C4 Pt5 Pt6 148.4(10) . .
C4 Pt5 Cd3 88.0(11) . .
Pt6 Pt5 Cd3 67.73(7) . .
C4 Pt5 Pt3 144.0(12) . .
Pt6 Pt5 Pt3 58.08(5) . .
Cd3 Pt5 Pt3 125.49(8) . .
C4 Pt5 Cd4 84.4(13) . .
Pt6 Pt5 Cd4 91.32(7) . .
Cd3 Pt5 Cd4 121.63(9) . .
Pt3 Pt5 Cd4 67.55(7) . .
C4 Pt5 Cd5 83.9(11) . .
Pt6 Pt5 Cd5 124.85(8) . .
Cd3 Pt5 Cd5 118.34(10) . .
Pt3 Pt5 Cd5 89.76(8) . .
Cd4 Pt5 Cd5 118.16(9) . .
C4 Pt5 Pt1 145.7(12) . .
Pt6 Pt5 Pt1 57.74(5) . .
Cd3 Pt5 Pt1 89.71(7) . .
Pt3 Pt5 Pt1 57.53(5) . .
Cd4 Pt5 Pt1 124.96(8) . .
Cd5 Pt5 Pt1 67.29(7) . .
C4 Pt5 Pt12 96.8(11) . .
Pt6 Pt5 Pt12 54.10(5) . .
Cd3 Pt5 Pt12 60.39(7) . .
Pt3 Pt5 Pt12 90.40(6) . .
Cd4 Pt5 Pt12 63.30(7) . .
Cd5 Pt5 Pt12 178.45(9) . .
Pt1 Pt5 Pt12 111.55(6) . .
C4 Pt5 Pt8 92.9(11) . .
Pt6 Pt5 Pt8 111.59(7) . .
Cd3 Pt5 Pt8 178.96(8) . .
Pt3 Pt5 Pt8 53.75(5) . .
Cd4 Pt5 Pt8 58.99(7) . .
Cd5 Pt5 Pt8 61.29(7) . .
Pt1 Pt5 Pt8 89.26(6) . .
Pt12 Pt5 Pt8 119.96(7) . .
C4 Pt5 Pt9 96.0(13) . .
Pt6 Pt5 Pt9 90.12(6) . .
Cd3 Pt5 Pt9 61.79(7) . .
Pt3 Pt5 Pt9 110.75(6) . .
Cd4 Pt5 Pt9 176.58(8) . .
Cd5 Pt5 Pt9 58.57(7) . .
Pt1 Pt5 Pt9 53.63(5) . .
Pt12 Pt5 Pt9 119.96(7) . .
Pt8 Pt5 Pt9 117.59(6) . .
Pt12 Pt6 Pt11 71.46(6) . .
Pt12 Pt6 Pt3 171.06(8) . 2_766
Pt11 Pt6 Pt3 99.71(7) . 2_766
Pt12 Pt6 Pt3 99.20(7) . .
Pt11 Pt6 Pt3 170.66(7) . .
Pt3 Pt6 Pt3 89.62(6) 2_766 .
Pt12 Pt6 Pt1 126.30(7) . .
Pt11 Pt6 Pt1 125.48(8) . .
Pt3 Pt6 Pt1 59.71(5) 2_766 .
Pt3 Pt6 Pt1 59.91(5) . .
Pt12 Pt6 Pt1 123.71(8) . 2_766
Pt11 Pt6 Pt1 125.06(7) . 2_766
Pt3 Pt6 Pt1 59.91(6) 2_766 2_766
Pt3 Pt6 Pt1 59.69(6) . 2_766
Pt1 Pt6 Pt1 89.70(6) . 2_766
Pt12 Pt6 Pt5 64.78(5) . .
Pt11 Pt6 Pt5 113.25(7) . .
Pt3 Pt6 Pt5 121.62(6) 2_766 .
Pt3 Pt6 Pt5 61.16(5) . .
Pt1 Pt6 Pt5 61.91(5) . .
Pt1 Pt6 Pt5 120.82(7) 2_766 .
Pt12 Pt6 Pt2 114.06(7) . .
Pt11 Pt6 Pt2 64.56(6) . .
Pt3 Pt6 Pt2 61.56(5) 2_766 .
Pt3 Pt6 Pt2 121.24(7) . .
Pt1 Pt6 Pt2 61.34(6) . .
Pt1 Pt6 Pt2 121.46(7) 2_766 .
Pt5 Pt6 Pt2 90.47(6) . .
Pt12 Pt6 Pt4 112.34(6) . 2_766
Pt11 Pt6 Pt4 64.52(5) . 2_766
Pt3 Pt6 Pt4 61.17(5) 2_766 2_766
Pt3 Pt6 Pt4 120.75(7) . 2_766
Pt1 Pt6 Pt4 120.87(6) . 2_766
Pt1 Pt6 Pt4 61.07(5) 2_766 2_766
Pt5 Pt6 Pt4 177.03(7) . 2_766
Pt2 Pt6 Pt4 90.21(6) . 2_766
Pt12 Pt6 Pt7 63.72(6) . 2_766
Pt11 Pt6 Pt7 113.36(7) . 2_766
Pt3 Pt6 Pt7 120.49(7) 2_766 2_766
Pt3 Pt6 Pt7 60.64(6) . 2_766
Pt1 Pt6 Pt7 120.55(7) . 2_766
Pt1 Pt6 Pt7 60.58(6) 2_766 2_766
Pt5 Pt6 Pt7 89.33(6) . 2_766
Pt2 Pt6 Pt7 177.59(7) . 2_766
Pt4 Pt6 Pt7 89.88(6) 2_766 2_766
Pt12 Pt6 Cd3 59.35(7) . .
Pt11 Pt6 Cd3 58.71(7) . .
Pt3 Pt6 Cd3 117.69(8) 2_766 .
Pt3 Pt6 Cd3 117.08(7) . .
Pt1 Pt6 Cd3 85.56(7) . .
Pt1 Pt6 Cd3 175.23(8) 2_766 .
Pt5 Pt6 Cd3 56.19(7) . .
Pt2 Pt6 Cd3 56.40(7) . .
Pt4 Pt6 Cd3 122.09(8) 2_766 .
Pt7 Pt6 Cd3 121.68(8) 2_766 .
Pt12 Pt6 Cd6 57.82(6) . 2_766
Pt11 Pt6 Cd6 58.55(7) . 2_766
Pt3 Pt6 Cd6 116.77(7) 2_766 2_766
Pt3 Pt6 Cd6 116.77(8) . 2_766
Pt1 Pt6 Cd6 174.27(9) . 2_766
Pt1 Pt6 Cd6 84.57(7) 2_766 2_766
Pt5 Pt6 Cd6 121.44(7) . 2_766
Pt2 Pt6 Cd6 121.86(8) . 2_766
Pt4 Pt6 Cd6 55.89(6) 2_766 2_766
Pt7 Pt6 Cd6 56.40(7) 2_766 2_766
Cd3 Pt6 Cd6 100.17(8) . 2_766
C10 Pt7 Cd1 89.2(17) . .
C10 Pt7 Pt1 147.8(14) . .
Cd1 Pt7 Pt1 67.37(7) . .
C10 Pt7 Pt3 148.4(12) . 2_766
Cd1 Pt7 Pt3 90.66(8) . 2_766
Pt1 Pt7 Pt3 57.70(5) . 2_766
C10 Pt7 Cd6 82.6(14) . .
Cd1 Pt7 Cd6 117.85(9) . .
Pt1 Pt7 Cd6 89.09(7) . .
Pt3 Pt7 Cd6 124.60(9) 2_766 .
C10 Pt7 Cd4 85.7(13) . 2_766
Cd1 Pt7 Cd4 120.00(10) . 2_766
Pt1 Pt7 Cd4 124.67(8) . 2_766
Pt3 Pt7 Cd4 67.17(6) 2_766 2_766
Cd6 Pt7 Cd4 120.57(10) . 2_766
C10 Pt7 Pt12 91.0(17) . 2_766
Cd1 Pt7 Pt12 176.80(8) . 2_766
Pt1 Pt7 Pt12 111.12(7) . 2_766
Pt3 Pt7 Pt12 90.78(6) 2_766 2_766
Cd6 Pt7 Pt12 59.04(7) . 2_766
Cd4 Pt7 Pt12 63.20(7) 2_766 2_766
C10 Pt7 Pt13 98.7(14) . .
Cd1 Pt7 Pt13 62.69(7) . .
Pt1 Pt7 Pt13 90.08(6) . .
Pt3 Pt7 Pt13 54.09(5) 2_766 .
Cd6 Pt7 Pt13 178.69(9) . .
Cd4 Pt7 Pt13 59.20(7) 2_766 .
Pt12 Pt7 Pt13 120.39(6) 2_766 .
C10 Pt7 Pt10 95.7(13) . .
Cd1 Pt7 Pt10 59.11(7) . .
Pt1 Pt7 Pt10 53.80(5) . .
Pt3 Pt7 Pt10 111.24(6) 2_766 .
Cd6 Pt7 Pt10 60.66(7) . .
Cd4 Pt7 Pt10 178.32(8) 2_766 .
Pt12 Pt7 Pt10 117.69(7) 2_766 .
Pt13 Pt7 Pt10 119.53(7) . .
C1 Pt8 Pt3 176.7(14) . .
C1 Pt8 Cd2 105.5(13) . 2_766
Pt3 Pt8 Cd2 71.37(7) . 2_766
C1 Pt8 Cd4 110.2(12) . .
Pt3 Pt8 Cd4 70.68(7) . .
Cd2 Pt8 Cd4 114.79(9) 2_766 .
C1 Pt8 Pt4 117.5(12) . .
Pt3 Pt8 Pt4 62.25(5) . .
Cd2 Pt8 Pt4 59.99(7) 2_766 .
Cd4 Pt8 Pt4 131.70(8) . .
C1 Pt8 Pt5 122.0(14) . .
Pt3 Pt8 Pt5 61.34(5) . .
Cd2 Pt8 Pt5 131.63(8) 2_766 .
Cd4 Pt8 Pt5 59.05(7) . .
Pt4 Pt8 Pt5 88.16(6) . .
C1 Pt8 Cd5 90.1(14) . .
Pt3 Pt8 Cd5 92.45(8) . .
Cd2 Pt8 Cd5 117.33(9) 2_766 .
Cd4 Pt8 Cd5 115.28(10) . .
Pt4 Pt8 Cd5 59.06(7) . .
Pt5 Pt8 Cd5 58.24(7) . .
C1 Pt8 Pt13 123.4(14) . 2_766
Pt3 Pt8 Pt13 54.06(5) . 2_766
Cd2 Pt8 Pt13 57.21(7) 2_766 2_766
Cd4 Pt8 Pt13 57.59(7) . 2_766
Pt4 Pt8 Pt13 99.52(6) . 2_766
Pt5 Pt8 Pt13 98.96(6) . 2_766
Cd5 Pt8 Pt13 146.50(7) . 2_766
C5 Pt9 Pt1 175.6(12) . .
C5 Pt9 Cd5 105.1(12) . .
Pt1 Pt9 Cd5 71.12(8) . .
C5 Pt9 Cd1 110.2(12) . .
Pt1 Pt9 Cd1 70.26(8) . .
Cd5 Pt9 Cd1 115.26(10) . .
C5 Pt9 Pt2 122.4(12) . .
Pt1 Pt9 Pt2 61.78(6) . .
Cd5 Pt9 Pt2 131.33(8) . .
Cd1 Pt9 Pt2 59.92(7) . .
C5 Pt9 Pt5 118.4(12) . .
Pt1 Pt9 Pt5 61.98(6) . .
Cd5 Pt9 Pt5 59.50(7) . .
Cd1 Pt9 Pt5 130.90(8) . .
Pt2 Pt9 Pt5 86.92(6) . .
C5 Pt9 Cd3 91.6(12) . .
Pt1 Pt9 Cd3 92.05(8) . .
Cd5 Pt9 Cd3 115.05(9) . .
Cd1 Pt9 Cd3 116.21(9) . .
Pt2 Pt9 Cd3 57.91(6) . .
Pt5 Pt9 Cd3 57.43(7) . .
C5 Pt9 Pt10 122.0(12) . .
Pt1 Pt9 Pt10 54.21(5) . .
Cd5 Pt9 Pt10 57.66(7) . .
Cd1 Pt9 Pt10 57.67(7) . .
Pt2 Pt9 Pt10 100.24(6) . .
Pt5 Pt9 Pt10 99.58(7) . .
Cd3 Pt9 Pt10 146.25(9) . .
C3 Pt10 Pt1 178.0(17) . .
C3 Pt10 Cd5 107.8(14) . .
Pt1 Pt10 Cd5 70.92(7) . .
C3 Pt10 Cd1 111.9(17) . .
Pt1 Pt10 Cd1 70.07(7) . .
Cd5 Pt10 Cd1 114.42(9) . .
C3 Pt10 Pt4 116.1(18) . .
Pt1 Pt10 Pt4 62.00(6) . .
Cd5 Pt10 Pt4 60.17(7) . .
Cd1 Pt10 Pt4 130.72(8) . .
C3 Pt10 Cd6 87.1(18) . .
Pt1 Pt10 Cd6 92.09(8) . .
Cd5 Pt10 Cd6 116.84(10) . .
Cd1 Pt10 Cd6 115.16(9) . .
Pt4 Pt10 Cd6 58.32(7) . .
C3 Pt10 Pt7 119.9(14) . .
Pt1 Pt10 Pt7 61.03(5) . .
Cd5 Pt10 Pt7 130.90(8) . .
Cd1 Pt10 Pt7 58.52(7) . .
Pt4 Pt10 Pt7 87.58(6) . .
Cd6 Pt10 Pt7 58.46(7) . .
C3 Pt10 Pt9 126.6(18) . .
Pt1 Pt10 Pt9 54.26(5) . .
Cd5 Pt10 Pt9 57.23(7) . .
Cd1 Pt10 Pt9 57.25(7) . .
Pt4 Pt10 Pt9 99.89(6) . .
Cd6 Pt10 Pt9 146.34(8) . .
Pt7 Pt10 Pt9 98.67(6) . .
C8 Pt11 Pt6 176(2) . .
C8 Pt11 Pt17 65(2) . .
Pt6 Pt11 Pt17 110.9(4) . .
C8 Pt11 Cd3 108.5(19) . .
Pt6 Pt11 Cd3 70.00(7) . .
Pt17 Pt11 Cd3 72.9(3) . .
C8 Pt11 Cd6 107(2) . 2_766
Pt6 Pt11 Cd6 70.52(8) . 2_766
Pt17 Pt11 Cd6 76.2(4) . 2_766
Cd3 Pt11 Cd6 115.46(10) . 2_766
C8 Pt11 Pt2 122(2) . .
Pt6 Pt11 Pt2 61.36(6) . .
Pt17 Pt11 Pt2 131.1(3) . .
Cd3 Pt11 Pt2 58.87(7) . .
Cd6 Pt11 Pt2 130.38(9) 2_766 .
C8 Pt11 Pt4 120.7(19) . 2_766
Pt6 Pt11 Pt4 61.53(6) . 2_766
Pt17 Pt11 Pt4 134.4(4) . 2_766
Cd3 Pt11 Pt4 130.17(8) . 2_766
Cd6 Pt11 Pt4 58.61(7) 2_766 2_766
Pt2 Pt11 Pt4 87.13(6) . 2_766
C8 Pt11 Cd2 92.7(19) . .
Pt6 Pt11 Cd2 91.74(8) . .
Pt17 Pt11 Cd2 157.3(4) . .
Cd3 Pt11 Cd2 115.31(9) . .
Cd6 Pt11 Cd2 114.81(9) 2_766 .
Pt2 Pt11 Cd2 58.06(6) . .
Pt4 Pt11 Cd2 57.95(7) 2_766 .
C8 Pt11 Pt12 121.3(19) . .
Pt6 Pt11 Pt12 54.22(5) . .
Pt17 Pt11 Pt12 56.7(4) . .
Cd3 Pt11 Pt12 58.38(7) . .
Cd6 Pt11 Pt12 57.21(7) 2_766 .
Pt2 Pt11 Pt12 99.94(6) . .
Pt4 Pt11 Pt12 98.75(7) 2_766 .
Cd2 Pt11 Pt12 145.95(8) . .
C9 Pt12 Pt6 169.8(17) . .
C9 Pt12 Pt17 62(2) . .
Pt6 Pt12 Pt17 111.1(4) . .
C9 Pt12 Cd6 99.2(17) . 2_766
Pt6 Pt12 Cd6 71.09(7) . 2_766
Pt17 Pt12 Cd6 76.8(4) . 2_766
C9 Pt12 Cd3 114(2) . .
Pt6 Pt12 Cd3 69.62(7) . .
Pt17 Pt12 Cd3 72.6(4) . .
Cd6 Pt12 Cd3 115.65(10) 2_766 .
C9 Pt12 Pt7 116(2) . 2_766
Pt6 Pt12 Pt7 62.38(6) . 2_766
Pt17 Pt12 Pt7 136.3(4) . 2_766
Cd6 Pt12 Pt7 59.93(7) 2_766 2_766
Cd3 Pt12 Pt7 130.33(8) . 2_766
C9 Pt12 Pt5 129.0(17) . .
Pt6 Pt12 Pt5 61.13(5) . .
Pt17 Pt12 Pt5 130.1(4) . .
Cd6 Pt12 Pt5 130.80(8) 2_766 .
Cd3 Pt12 Pt5 58.27(7) . .
Pt7 Pt12 Pt5 86.87(6) 2_766 .
C9 Pt12 Cd4 96(2) . .
Pt6 Pt12 Cd4 91.69(7) . .
Pt17 Pt12 Cd4 156.8(4) . .
Cd6 Pt12 Cd4 116.35(10) 2_766 .
Cd3 Pt12 Cd4 113.67(9) . .
Pt7 Pt12 Cd4 57.96(7) 2_766 .
Pt5 Pt12 Cd4 57.15(7) . .
C9 Pt12 Pt11 118.3(19) . .
Pt6 Pt12 Pt11 54.32(5) . .
Pt17 Pt12 Pt11 56.9(4) . .
Cd6 Pt12 Pt11 58.23(7) 2_766 .
Cd3 Pt12 Pt11 57.55(7) . .
Pt7 Pt12 Pt11 100.63(6) 2_766 .
Pt5 Pt12 Pt11 99.10(6) . .
Cd4 Pt12 Pt11 145.98(8) . .
C7 Pt13 Pt3 172.8(12) . 2_766
C7 Pt13 Cd2 102.0(12) . .
Pt3 Pt13 Cd2 71.34(8) 2_766 .
C7 Pt13 Cd4 111.1(12) . 2_766
Pt3 Pt13 Cd4 70.41(8) 2_766 2_766
Cd2 Pt13 Cd4 114.50(10) . 2_766
C7 Pt13 Pt2 117.1(12) . .
Pt3 Pt13 Pt2 62.33(6) 2_766 .
Cd2 Pt13 Pt2 59.97(6) . .
Cd4 Pt13 Pt2 131.57(9) 2_766 .
C7 Pt13 Pt7 125.5(12) . .
Pt3 Pt13 Pt7 61.58(6) 2_766 .
Cd2 Pt13 Pt7 131.67(9) . .
Cd4 Pt13 Pt7 59.81(7) 2_766 .
Pt2 Pt13 Pt7 87.75(6) . .
C7 Pt13 Cd1 93.6(13) . .
Pt3 Pt13 Cd1 91.86(8) 2_766 .
Cd2 Pt13 Cd1 116.86(9) . .
Cd4 Pt13 Cd1 115.48(9) 2_766 .
Pt2 Pt13 Cd1 58.47(6) . .
Pt7 Pt13 Cd1 57.41(7) . .
C7 Pt13 Pt8 120.5(13) . 2_766
Pt3 Pt13 Pt8 53.90(5) 2_766 2_766
Cd2 Pt13 Pt8 57.29(7) . 2_766
Cd4 Pt13 Pt8 57.22(7) 2_766 2_766
Pt2 Pt13 Pt8 99.52(6) . 2_766
Pt7 Pt13 Pt8 99.41(7) . 2_766
Cd1 Pt13 Pt8 145.76(9) . 2_766
Br1 Cd1 Pt7 127.14(16) . .
Br1 Cd1 Pt9 121.41(15) . .
Pt7 Cd1 Pt9 106.86(11) . .
Br1 Cd1 Pt10 118.99(15) . .
Pt7 Cd1 Pt10 62.37(8) . .
Pt9 Cd1 Pt10 65.08(7) . .
Br1 Cd1 Pt2 130.62(17) . .
Pt7 Cd1 Pt2 89.62(9) . .
Pt9 Cd1 Pt2 61.39(7) . .
Pt10 Cd1 Pt2 106.48(10) . .
Br1 Cd1 Pt13 107.90(14) . .
Pt7 Cd1 Pt13 59.90(7) . .
Pt9 Cd1 Pt13 118.61(10) . .
Pt10 Cd1 Pt13 119.97(11) . .
Pt2 Cd1 Pt13 59.13(6) . .
Br1 Cd1 Pt1 168.92(14) . .
Pt7 Cd1 Pt1 56.37(7) . .
Pt9 Cd1 Pt1 51.60(6) . .
Pt10 Cd1 Pt1 51.47(7) . .
Pt2 Cd1 Pt1 56.37(7) . .
Pt13 Cd1 Pt1 83.03(8) . .
Br2 Cd2 Pt13 121.26(15) . .
Br2 Cd2 Pt8 119.28(13) . 2_766
Pt13 Cd2 Pt8 65.49(7) . 2_766
Br2 Cd2 Pt4 128.05(14) . 2_766
Pt13 Cd2 Pt4 105.84(10) . 2_766
Pt8 Cd2 Pt4 60.75(8) 2_766 2_766
Br2 Cd2 Pt2 130.91(15) . .
Pt13 Cd2 Pt2 60.98(6) . .
Pt8 Cd2 Pt2 105.95(10) 2_766 .
Pt4 Cd2 Pt2 89.37(9) 2_766 .
Br2 Cd2 Pt11 108.23(13) . .
Pt13 Cd2 Pt11 118.83(9) . .
Pt8 Cd2 Pt11 118.74(11) 2_766 .
Pt4 Cd2 Pt11 59.99(7) 2_766 .
Pt2 Cd2 Pt11 59.87(6) . .
Br2 Cd2 Pt3 168.27(14) . 2_766
Pt13 Cd2 Pt3 51.05(6) . 2_766
Pt8 Cd2 Pt3 50.93(6) 2_766 2_766
Pt4 Cd2 Pt3 55.92(7) 2_766 2_766
Pt2 Cd2 Pt3 56.14(6) . 2_766
Pt11 Cd2 Pt3 83.38(8) . 2_766
Br3 Cd3 Pt5 129.62(17) . .
Br3 Cd3 Pt2 128.31(18) . .
Pt5 Cd3 Pt2 90.24(9) . .
Br3 Cd3 Pt11 120.04(18) . .
Pt5 Cd3 Pt11 105.92(11) . .
Pt2 Cd3 Pt11 61.47(7) . .
Br3 Cd3 Pt12 121.10(17) . .
Pt5 Cd3 Pt12 61.34(8) . .
Pt2 Cd3 Pt12 105.78(10) . .
Pt11 Cd3 Pt12 64.07(8) . .
Br3 Cd3 Pt9 107.25(18) . .
Pt5 Cd3 Pt9 60.78(7) . .
Pt2 Cd3 Pt9 60.25(7) . .
Pt11 Cd3 Pt9 119.68(9) . .
Pt12 Cd3 Pt9 119.91(11) . .
Br3 Cd3 Pt6 169.13(19) . .
Pt5 Cd3 Pt6 56.07(7) . .
Pt2 Cd3 Pt6 56.19(7) . .
Pt11 Cd3 Pt6 51.28(6) . .
Pt12 Cd3 Pt6 51.03(7) . .
Pt9 Cd3 Pt6 83.60(8) . .
Br3 Cd3 Pt17 83.0(4) . .
Pt5 Cd3 Pt17 113.0(4) . .
Pt2 Cd3 Pt17 113.5(3) . .
Pt11 Cd3 Pt17 52.5(3) . .
Pt12 Cd3 Pt17 52.2(3) . .
Pt9 Cd3 Pt17 169.8(3) . .
Pt6 Cd3 Pt17 86.2(3) . .
Br4 Cd4 Pt8 118.20(14) . .
Br4 Cd4 Pt5 123.42(16) . .
Pt8 Cd4 Pt5 61.96(7) . .
Br4 Cd4 Pt13 125.40(16) . 2_766
Pt8 Cd4 Pt13 65.19(7) . 2_766
Pt5 Cd4 Pt13 106.26(10) . 2_766
Br4 Cd4 Pt7 133.69(14) . 2_766
Pt8 Cd4 Pt7 105.81(9) . 2_766
Pt5 Cd4 Pt7 88.82(8) . 2_766
Pt13 Cd4 Pt7 60.99(7) 2_766 2_766
Br4 Cd4 Pt12 106.60(14) . .
Pt8 Cd4 Pt12 119.20(10) . .
Pt5 Cd4 Pt12 59.54(7) . .
Pt13 Cd4 Pt12 117.92(9) 2_766 .
Pt7 Cd4 Pt12 58.85(6) 2_766 .
Br4 Cd4 Pt3 169.16(14) . .
Pt8 Cd4 Pt3 51.17(6) . .
Pt5 Cd4 Pt3 56.10(6) . .
Pt13 Cd4 Pt3 51.19(6) 2_766 .
Pt7 Cd4 Pt3 55.87(6) 2_766 .
Pt12 Cd4 Pt3 82.65(8) . .
Br5 Cd5 Pt9 115.57(16) . .
Br5 Cd5 Pt10 125.74(14) . .
Pt9 Cd5 Pt10 65.12(8) . .
Br5 Cd5 Pt5 121.40(14) . .
Pt9 Cd5 Pt5 61.93(7) . .
Pt10 Cd5 Pt5 106.48(9) . .
Br5 Cd5 Pt4 136.37(16) . .
Pt9 Cd5 Pt4 105.75(9) . .
Pt10 Cd5 Pt4 60.62(7) . .
Pt5 Cd5 Pt4 89.57(8) . .
Br5 Cd5 Pt8 107.35(15) . .
Pt9 Cd5 Pt8 120.00(9) . .
Pt10 Cd5 Pt8 118.11(10) . .
Pt5 Cd5 Pt8 60.46(7) . .
Pt4 Cd5 Pt8 59.25(7) . .
Br5 Cd5 Pt1 166.75(17) . .
Pt9 Cd5 Pt1 51.25(6) . .
Pt10 Cd5 Pt1 51.12(6) . .
Pt5 Cd5 Pt1 56.46(6) . .
Pt4 Cd5 Pt1 55.82(6) . .
Pt8 Cd5 Pt1 83.24(8) . .
Br6 Cd6 Pt4 132.50(17) . .
Br6 Cd6 Pt12 115.53(16) . 2_766
Pt4 Cd6 Pt12 105.98(10) . 2_766
Br6 Cd6 Pt7 129.6(2) . .
Pt4 Cd6 Pt7 89.97(8) . .
Pt12 Cd6 Pt7 61.03(7) 2_766 .
Br6 Cd6 Pt11 117.3(2) . 2_766
Pt4 Cd6 Pt11 61.51(7) . 2_766
Pt12 Cd6 Pt11 64.56(8) 2_766 2_766
Pt7 Cd6 Pt11 105.87(10) . 2_766
Br6 Cd6 Pt10 112.39(19) . .
Pt4 Cd6 Pt10 60.03(7) . .
Pt12 Cd6 Pt10 119.81(10) 2_766 .
Pt7 Cd6 Pt10 60.87(7) . .
Pt11 Cd6 Pt10 119.57(10) 2_766 .
Br7 Pt17 C9 106.5(16) . .
Br7 Pt17 C8 109.7(17) . .
C9 Pt17 C8 141(2) . .
Br7 Pt17 Pt12 145.9(9) . .
C9 Pt17 Pt12 39.4(14) . .
C8 Pt17 Pt12 103.8(16) . .
Br7 Pt17 Pt11 147.0(10) . .
C9 Pt17 Pt11 105.1(15) . .
C8 Pt17 Pt11 37.4(15) . .
Pt12 Pt17 Pt11 66.4(4) . .
Br7 Pt17 Cd3 138.3(9) . .
C9 Pt17 Cd3 83.7(14) . .
C8 Pt17 Cd3 78.0(14) . .
Pt12 Pt17 Cd3 55.2(3) . .
Pt11 Pt17 Cd3 54.6(3) . .
O1 C1 Pt8 175(4) . .
O2 C2 Pt4 174(4) . .
O3 C3 Pt10 170(5) . .
O4 C4 Pt5 176(3) . .
O5 C5 Pt9 174(4) . .
O6 C6 Pt2 171(4) . .
O7 C7 Pt13 172(4) . .
O8 C8 Pt11 170(5) . .
O8 C8 Pt17 112(4) . .
Pt11 C8 Pt17 78(2) . .
O9 C9 Pt12 169(6) . .
O9 C9 Pt17 111(5) . .
Pt12 C9 Pt17 78(2) . .
O10 C10 Pt7 169(4) . .
C107 P1 C101 108.6(15) . .
C107 P1 C119 111.5(14) . .
C101 P1 C119 109.1(16) . .
C107 P1 C113 108.8(14) . .
C101 P1 C113 110.3(17) . .
C119 P1 C113 108.5(14) . .
C102 C101 C106 120.0 . .
C102 C101 P1 121(2) . .
C106 C101 P1 119(2) . .
C103 C102 C101 120.0 . .
C103 C102 H102 120.0 . .
C101 C102 H102 120.0 . .
C102 C103 C104 120.0 . .
C102 C103 H103 120.0 . .
C104 C103 H103 120.0 . .
C105 C104 C103 120.0 . .
C105 C104 H104 120.0 . .
C103 C104 H104 120.0 . .
C106 C105 C104 120.0 . .
C106 C105 H105 120.0 . .
C104 C105 H105 120.0 . .
C105 C106 C101 120.0 . .
C105 C106 H106 120.0 . .
C101 C106 H106 120.0 . .
C108 C107 C112 120.0 . .
C108 C107 P1 121.8(16) . .
C112 C107 P1 118.2(16) . .
C109 C108 C107 120.0 . .
C109 C108 H108 120.0 . .
C107 C108 H108 120.0 . .
C108 C109 C110 120.0 . .
C108 C109 H109 120.0 . .
C110 C109 H109 120.0 . .
C109 C110 C111 120.0 . .
C109 C110 H110 120.0 . .
C111 C110 H110 120.0 . .
C112 C111 C110 120.0 . .
C112 C111 H111 120.0 . .
C110 C111 H111 120.0 . .
C111 C112 C107 120.0 . .
C111 C112 H112 120.0 . .
C107 C112 H112 120.0 . .
C114 C113 C118 120.0 . .
C114 C113 P1 123.6(16) . .
C118 C113 P1 116.4(16) . .
C115 C114 C113 120.0 . .
C115 C114 H114 120.0 . .
C113 C114 H114 120.0 . .
C116 C115 C114 120.0 . .
C116 C115 H115 120.0 . .
C114 C115 H115 120.0 . .
C115 C116 C117 120.0 . .
C115 C116 H116 120.0 . .
C117 C116 H116 120.0 . .
C118 C117 C116 120.0 . .
C118 C117 H117 120.0 . .
C116 C117 H117 120.0 . .
C117 C118 C113 120.0 . .
C117 C118 H118 120.0 . .
C113 C118 H118 120.0 . .
C120 C119 C124 120.0 . .
C120 C119 P1 119.7(14) . .
C124 C119 P1 120.1(14) . .
C121 C120 C119 120.0 . .
C121 C120 H120 120.0 . .
C119 C120 H120 120.0 . .
C120 C121 C122 120.0 . .
C120 C121 H121 120.0 . .
C122 C121 H121 120.0 . .
C123 C122 C121 120.0 . .
C123 C122 H122 120.0 . .
C121 C122 H122 120.0 . .
C122 C123 C124 120.0 . .
C122 C123 H123 120.0 . .
C124 C123 H123 120.0 . .
C123 C124 C119 120.0 . .
C123 C124 H124 120.0 . .
C119 C124 H124 120.0 . .
C213 P2 C219 109.8(19) . .
C213 P2 C207 115.1(19) . .
C219 P2 C207 108.2(17) . .
C213 P2 C201 104.5(18) . .
C219 P2 C201 106.5(19) . .
C207 P2 C201 112.4(15) . .
C202 C201 C206 120.0 . .
C202 C201 P2 118(2) . .
C206 C201 P2 122(2) . .
C201 C202 C203 120.0 . .
C201 C202 H202 120.0 . .
C203 C202 H202 120.0 . .
C202 C203 C204 120.0 . .
C202 C203 H203 120.0 . .
C204 C203 H203 120.0 . .
C205 C204 C203 120.0 . .
C205 C204 H204 120.0 . .
C203 C204 H204 120.0 . .
C206 C205 C204 120.0 . .
C206 C205 H205 120.0 . .
C204 C205 H205 120.0 . .
C205 C206 C201 120.0 . .
C205 C206 H206 120.0 . .
C201 C206 H206 120.0 . .
C208 C207 C212 120.0 . .
C208 C207 P2 120.0(16) . .
C212 C207 P2 120.0(16) . .
C209 C208 C207 120.0 . .
C209 C208 H208 120.0 . .
C207 C208 H208 120.0 . .
C208 C209 C210 120.0 . .
C208 C209 H209 120.0 . .
C210 C209 H209 120.0 . .
C211 C210 C209 120.0 . .
C211 C210 H210 120.0 . .
C209 C210 H210 120.0 . .
C210 C211 C212 120.0 . .
C210 C211 H211 120.0 . .
C212 C211 H211 120.0 . .
C211 C212 C207 120.0 . .
C211 C212 H212 120.0 . .
C207 C212 H212 120.0 . .
C214 C213 C218 120.0 . .
C214 C213 P2 121(2) . .
C218 C213 P2 119(2) . .
C213 C214 C215 120.0 . .
C213 C214 H214 120.0 . .
C215 C214 H214 120.0 . .
C216 C215 C214 120.0 . .
C216 C215 H215 120.0 . .
C214 C215 H215 120.0 . .
C217 C216 C215 120.0 . .
C217 C216 H216 120.0 . .
C215 C216 H216 120.0 . .
C216 C217 C218 120.0 . .
C216 C217 H217 120.0 . .
C218 C217 H217 120.0 . .
C217 C218 C213 120.0 . .
C217 C218 H218 120.0 . .
C213 C218 H218 120.0 . .
C220 C219 C224 120.0 . .
C220 C219 P2 116(2) . .
C224 C219 P2 124(2) . .
C221 C220 C219 120.0 . .
C221 C220 H220 120.0 . .
C219 C220 H220 120.0 . .
C220 C221 C222 120.0 . .
C220 C221 H221 120.0 . .
C222 C221 H221 120.0 . .
C223 C222 C221 120.0 . .
C223 C222 H222 120.0 . .
C221 C222 H222 120.0 . .
C222 C223 C224 120.0 . .
C222 C223 H223 120.0 . .
C224 C223 H223 120.0 . .
C223 C224 C219 120.0 . .
C223 C224 H224 120.0 . .
C219 C224 H224 120.0 . .
C307 P3 C319 109.7(14) . .
C307 P3 C313 110.8(14) . .
C319 P3 C313 105.6(15) . .
C307 P3 C301 108.4(14) . .
C319 P3 C301 113.2(16) . .
C313 P3 C301 109.1(14) . .
C302 C301 C306 120.0 . .
C302 C301 P3 120.4(18) . .
C306 C301 P3 119.6(18) . .
C301 C302 C303 120.0 . .
C301 C302 H302 120.0 . .
C303 C302 H302 120.0 . .
C304 C303 C302 120.0 . .
C304 C303 H303 120.0 . .
C302 C303 H303 120.0 . .
C303 C304 C305 120.0 . .
C303 C304 H304 120.0 . .
C305 C304 H304 120.0 . .
C306 C305 C304 120.0 . .
C306 C305 H305 120.0 . .
C304 C305 H305 120.0 . .
C305 C306 C301 120.0 . .
C305 C306 H306 120.0 . .
C301 C306 H306 120.0 . .
C308 C307 C312 120.0 . .
C308 C307 P3 121.0(15) . .
C312 C307 P3 119.0(15) . .
C309 C308 C307 120.0 . .
C309 C308 H308 120.0 . .
C307 C308 H308 120.0 . .
C310 C309 C308 120.0 . .
C310 C309 H309 120.0 . .
C308 C309 H309 120.0 . .
C309 C310 C311 120.0 . .
C309 C310 H310 120.0 . .
C311 C310 H310 120.0 . .
C312 C311 C310 120.0 . .
C312 C311 H311 120.0 . .
C310 C311 H311 120.0 . .
C311 C312 C307 120.0 . .
C311 C312 H312 120.0 . .
C307 C312 H312 120.0 . .
C314 C313 C318 120.0 . .
C314 C313 P3 118.7(16) . .
C318 C313 P3 121.2(16) . .
C315 C314 C313 120.0 . .
C315 C314 H314 120.0 . .
C313 C314 H314 120.0 . .
C314 C315 C316 120.0 . .
C314 C315 H315 120.0 . .
C316 C315 H315 120.0 . .
C317 C316 C315 120.0 . .
C317 C316 H316 120.0 . .
C315 C316 H316 120.0 . .
C318 C317 C316 120.0 . .
C318 C317 H317 120.0 . .
C316 C317 H317 120.0 . .
C317 C318 C313 120.0 . .
C317 C318 H318 120.0 . .
C313 C318 H318 120.0 . .
C320 C319 C324 120.0 . .
C320 C319 P3 118.2(17) . .
C324 C319 P3 121.3(17) . .
C321 C320 C319 120.0 . .
C321 C320 H320 120.0 . .
C319 C320 H320 120.0 . .
C320 C321 C322 120.0 . .
C320 C321 H321 120.0 . .
C322 C321 H321 120.0 . .
C323 C322 C321 120.0 . .
C323 C322 H322 120.0 . .
C321 C322 H322 120.0 . .
C324 C323 C322 120.0 . .
C324 C323 H323 120.0 . .
C322 C323 H323 120.0 . .
C323 C324 C319 120.0 . .
C323 C324 H324 120.0 . .
C319 C324 H324 120.0 . .
O401 C401 N401 134(4) . .
O401 C401 H401 113.2 . .
N401 C401 H401 113.2 . .
C401 N401 C403 126(3) . .
C401 N401 C402 114(3) . .
C403 N401 C402 120(3) . .
N401 C402 H40A 109.5 . .
N401 C402 H40B 109.5 . .
H40A C402 H40B 109.5 . .
N401 C402 H40C 109.5 . .
H40A C402 H40C 109.5 . .
H40B C402 H40C 109.5 . .
N401 C403 H40D 109.5 . .
N401 C403 H40E 109.5 . .
H40D C403 H40E 109.5 . .
N401 C403 H40F 109.5 . .
H40D C403 H40F 109.5 . .
H40E C403 H40F 109.5 . .
O501 C501 N501 127(4) . .
O501 C501 H501 116.7 . .
N501 C501 H501 116.7 . .
C501 N501 C503 126(3) . .
C501 N501 C502 113(3) . .
C503 N501 C502 121(3) . .
N501 C502 H50A 109.5 . .
N501 C502 H50B 109.5 . .
H50A C502 H50B 109.5 . .
N501 C502 H50C 109.5 . .
H50A C502 H50C 109.5 . .
H50B C502 H50C 109.5 . .
N501 C503 H50D 109.5 . .
N501 C503 H50E 109.5 . .
H50D C503 H50E 109.5 . .
N501 C503 H50F 109.5 . .
H50D C503 H50F 109.5 . .
H50E C503 H50F 109.5 . .
O601 C601 N601 131(4) . .
O601 C601 H601 114.5 . .
N601 C601 H601 114.5 . .
C601 N601 C603 127(3) . .
C601 N601 C602 114(3) . .
C603 N601 C602 118(3) . .
N601 C602 H60A 109.5 . .
N601 C602 H60B 109.5 . .
H60A C602 H60B 109.5 . .
N601 C602 H60C 109.5 . .
H60A C602 H60C 109.5 . .
H60B C602 H60C 109.5 . .
N601 C603 H60D 109.5 . .
N601 C603 H60E 109.5 . .
H60D C603 H60E 109.5 . .
N601 C603 H60F 109.5 . .
H60D C603 H60F 109.5 . .
H60E C603 H60F 109.5 . .
O611 C611 N611 127(4) . .
O611 C611 H611 116.3 . .
N611 C611 H611 116.3 . .
C611 N611 C613 128(3) . .
C611 N611 C612 113(3) . .
C613 N611 C612 119(3) . .
N611 C612 H61A 109.5 . .
N611 C612 H61B 109.5 . .
H61A C612 H61B 109.5 . .
N611 C612 H61C 109.5 . .
H61A C612 H61C 109.5 . .
H61B C612 H61C 109.5 . .
N611 C613 H61D 109.5 . .
N611 C613 H61E 109.5 . .
H61D C613 H61E 109.5 . .
N611 C613 H61F 109.5 . .
H61D C613 H61F 109.5 . .
H61E C613 H61F 109.5 . .
O621 C621 N621 132(4) . .
O621 C621 H621 113.9 . .
N621 C621 H621 113.9 . .
C621 N621 C622 115(3) . .
C621 N621 C623 127(3) . .
C622 N621 C623 118(3) . .
N621 C622 H62A 109.5 . .
N621 C622 H62B 109.5 . .
H62A C622 H62B 109.5 . .
N621 C622 H62C 109.5 . .
H62A C622 H62C 109.5 . .
H62B C622 H62C 109.5 . .
N621 C623 H62D 109.5 . .
N621 C623 H62E 109.5 . .
H62D C623 H62E 109.5 . .
N621 C623 H62F 109.5 . .
H62D C623 H62F 109.5 . .
H62E C623 H62F 109.5 . .
O631 C631 N631 131(5) . .
O631 C631 H631 114.6 . .
N631 C631 H631 114.6 . .
C631 N631 C633 127(3) . .
C631 N631 C632 114(3) . .
C633 N631 C632 119(3) . .
N631 C632 H63A 109.5 . .
N631 C632 H63B 109.5 . .
H63A C632 H63B 109.5 . .
N631 C632 H63C 109.5 . .
H63A C632 H63C 109.5 . .
H63B C632 H63C 109.5 . .
N631 C633 H63D 109.5 . .
N631 C633 H63E 109.5 . .
H63D C633 H63E 109.5 . .
N631 C633 H63F 109.5 . .
H63D C633 H63F 109.5 . .
H63E C633 H63F 109.5 . .
O641 C641 N641 134(5) . .
O641 C641 H641 113.0 . .
N641 C641 H641 113.0 . .
C641 N641 C643 125(3) . .
C641 N641 C642 115(3) . .
C643 N641 C642 119(3) . .
N641 C642 H64A 109.5 . .
N641 C642 H64B 109.5 . .
H64A C642 H64B 109.5 . .
N641 C642 H64C 109.5 . .
H64A C642 H64C 109.5 . .
H64B C642 H64C 109.5 . .
N641 C643 H64D 109.5 . .
N641 C643 H64E 109.5 . .
H64D C643 H64E 109.5 . .
N641 C643 H64F 109.5 . .
H64D C643 H64F 109.5 . .
H64E C643 H64F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 Pt10 2.582(2) .
Pt1 Pt9 2.583(2) .
Pt1 Pt3 2.7019(19) 2_766
Pt1 Pt3 2.711(2) .
Pt1 Pt6 2.715(2) .
Pt1 Pt6 2.716(2) ?
Pt1 Pt7 2.799(2) .
Pt1 Pt4 2.808(2) .
Pt1 Pt2 2.814(2) .
Pt1 Pt5 2.832(2) .
Pt1 Cd1 3.102(3) .
Pt1 Cd5 3.134(3) .
Pt2 C6 1.83(5) .
Pt2 Pt6 2.800(2) .
Pt2 Cd3 2.807(3) .
Pt2 Pt3 2.822(2) 2_766
Pt2 Cd2 2.827(3) .
Pt2 Cd1 2.835(3) .
Pt2 Pt13 2.855(2) .
Pt2 Pt9 2.8766(19) .
Pt2 Pt11 2.881(2) .
Pt3 Pt8 2.5741(19) .
Pt3 Pt13 2.579(2) 2_766
Pt3 Pt1 2.7019(19) 2_766
Pt3 Pt6 2.713(2) ?
Pt3 Pt6 2.714(2) .
Pt3 Pt7 2.801(2) 2_766
Pt3 Pt5 2.801(2) .
Pt3 Pt4 2.8108(19) .
Pt3 Pt2 2.822(2) 2_766
Pt3 Cd4 3.118(3) .
Pt3 Cd2 3.142(3) 2_766
Pt4 C2 1.85(4) .
Pt4 Cd6 2.802(3) .
Pt4 Cd2 2.823(4) 2_766
Pt4 Cd5 2.839(3) .
Pt4 Pt8 2.845(2) .
Pt4 Pt10 2.852(3) .
Pt4 Pt11 2.885(2) 2_766
Pt5 C4 1.77(3) .
Pt5 Pt6 2.7899(19) .
Pt5 Cd3 2.794(3) .
Pt5 Cd4 2.809(3) .
Pt5 Cd5 2.825(3) .
Pt5 Pt12 2.882(2) .
Pt5 Pt8 2.891(2) .
Pt5 Pt9 2.893(2) .
Pt6 Pt12 2.581(2) .
Pt6 Pt11 2.584(2) .
Pt6 Pt3 2.713(2) 2_766
Pt6 Pt1 2.716(2) 2_766
Pt6 Pt4 2.8090(19) 2_766
Pt6 Pt7 2.830(2) 2_766
Pt6 Cd3 3.112(3) .
Pt6 Cd6 3.137(3) 2_766
Pt7 C10 1.71(5) .
Pt7 Cd1 2.795(3) .
Pt7 Pt3 2.801(2) 2_766
Pt7 Cd6 2.833(3) .
Pt7 Cd4 2.837(3) 2_766
Pt7 Pt12 2.864(2) 2_766
Pt7 Pt13 2.870(2) .
Pt7 Pt10 2.903(2) .
Pt8 C1 1.79(3) .
Pt8 Cd2 2.803(3) 2_766
Pt8 Cd4 2.807(3) .
Pt8 Cd5 2.914(3) .
Pt8 Pt13 3.031(2) 2_766
Pt9 C5 1.80(4) .
Pt9 Cd5 2.798(3) .
Pt9 Cd1 2.799(3) .
Pt9 Cd3 2.921(3) .
Pt9 Pt10 3.019(2) .
Pt10 C3 1.78(4) .
Pt10 Cd5 2.811(3) .
Pt10 Cd1 2.812(3) .
Pt10 Cd6 2.897(3) .
Pt11 C8 1.71(7) .
Pt11 Pt17 2.754(17) .
Pt11 Cd3 2.830(3) .
Pt11 Cd6 2.839(4) 2_766
Pt11 Pt4 2.885(2) 2_766
Pt11 Cd2 2.943(3) .
Pt11 Pt12 3.016(2) .
Pt12 C9 1.78(6) .
Pt12 Pt17 2.750(18) .
Pt12 Cd6 2.807(3) 2_766
Pt12 Cd3 2.856(4) .
Pt12 Pt7 2.864(2) 2_766
Pt12 Cd4 2.987(3) .
Pt13 C7 1.80(5) .
Pt13 Pt3 2.579(2) 2_766
Pt13 Cd2 2.800(3) .
Pt13 Cd4 2.819(3) 2_766
Pt13 Cd1 2.948(3) .
Pt13 Pt8 3.031(2) 2_766
Cd1 Br1 2.563(6) .
Cd2 Br2 2.548(5) .
Cd2 Pt8 2.803(3) 2_766
Cd2 Pt4 2.823(3) 2_766
Cd2 Pt3 3.142(3) 2_766
Cd3 Br3 2.550(6) .
Cd3 Pt17 3.319(17) .
Cd4 Br4 2.544(5) .
Cd4 Pt13 2.819(3) 2_766
Cd4 Pt7 2.837(3) 2_766
Cd5 Br5 2.552(4) .
Cd6 Br6 2.538(5) .
Cd6 Pt12 2.807(3) 2_766
Cd6 Pt11 2.839(4) 2_766
Pt17 Br7 2.41(2) .
Pt17 C9 2.49(7) .
Pt17 C8 2.55(6) .
C1 O1 1.18(4) .
C2 O2 1.15(4) .
C3 O3 1.21(5) .
C4 O4 1.18(4) .
C5 O5 1.15(4) .
C6 O6 1.24(5) .
C7 O7 1.17(5) .
C8 O8 1.26(7) .
C9 O9 1.13(6) .
C10 O10 1.25(5) .
P1 C107 1.78(2) .
P1 C101 1.78(2) .
P1 C119 1.79(2) .
P1 C113 1.79(2) .
C101 C102 1.3900 .
C101 C106 1.3900 .
C102 C103 1.3900 .
C102 H102 0.9500 .
C103 C104 1.3900 .
C103 H103 0.9500 .
C104 C105 1.3900 .
C104 H104 0.9500 .
C105 C106 1.3900 .
C105 H105 0.9500 .
C106 H106 0.9500 .
C107 C108 1.3900 .
C107 C112 1.3900 .
C108 C109 1.3900 .
C108 H108 0.9500 .
C109 C110 1.3900 .
C109 H109 0.9500 .
C110 C111 1.3900 .
C110 H110 0.8800 .
C111 C112 1.3900 .
C111 H111 0.9500 .
C112 H112 0.9500 .
C113 C114 1.3900 .
C113 C118 1.3900 .
C114 C115 1.3900 .
C114 H114 0.9500 .
C115 C116 1.3900 .
C115 H115 0.9500 .
C116 C117 1.3900 .
C116 H116 0.9500 .
C117 C118 1.3900 .
C117 H117 0.9500 .
C118 H118 0.9500 .
C119 C120 1.3900 .
C119 C124 1.3900 .
C120 C121 1.3900 .
C120 H120 0.9500 .
C121 C122 1.3900 .
C121 H121 0.9500 .
C122 C123 1.3900 .
C122 H122 0.9500 .
C123 C124 1.3900 .
C123 H123 0.9500 .
C124 H124 0.9500 .
P2 C213 1.75(2) .
P2 C219 1.76(3) .
P2 C207 1.77(2) .
P2 C201 1.79(2) .
C201 C202 1.3900 .
C201 C206 1.3900 .
C202 C203 1.3900 .
C202 H202 0.9500 .
C203 C204 1.3900 .
C203 H203 0.9500 .
C204 C205 1.3900 .
C204 H204 0.9500 .
C205 C206 1.3900 .
C205 H205 0.8800 .
C206 H206 0.9500 .
C207 C208 1.3900 .
C207 C212 1.3900 .
C208 C209 1.3900 .
C208 H208 0.9500 .
C209 C210 1.3900 .
C209 H209 0.9500 .
C210 C211 1.3900 .
C210 H210 0.9500 .
C211 C212 1.3900 .
C211 H211 0.9500 .
C212 H212 0.9500 .
C213 C214 1.3900 .
C213 C218 1.3900 .
C214 C215 1.3900 .
C214 H214 0.9500 .
C215 C216 1.3900 .
C215 H215 0.9500 .
C216 C217 1.3900 .
C216 H216 0.9500 .
C217 C218 1.3900 .
C217 H217 0.9500 .
C218 H218 0.9500 .
C219 C220 1.3900 .
C219 C224 1.3900 .
C220 C221 1.3900 .
C220 H220 0.9500 .
C221 C222 1.3900 .
C221 H221 0.9500 .
C222 C223 1.3900 .
C222 H222 0.9500 .
C223 C224 1.3900 .
C223 H223 0.9500 .
C224 H224 0.9500 .
P3 C307 1.76(2) .
P3 C319 1.79(2) .
P3 C313 1.79(2) .
P3 C301 1.82(2) .
C301 C302 1.3900 .
C301 C306 1.3900 .
C302 C303 1.3900 .
C302 H302 0.9500 .
C303 C304 1.3900 .
C303 H303 0.8800 .
C304 C305 1.3900 .
C304 H304 0.9500 .
C305 C306 1.3900 .
C305 H305 0.9500 .
C306 H306 0.9500 .
C307 C308 1.3900 .
C307 C312 1.3900 .
C308 C309 1.3900 .
C308 H308 0.9500 .
C309 C310 1.3900 .
C309 H309 0.9500 .
C310 C311 1.3900 .
C310 H310 0.9500 .
C311 C312 1.3900 .
C311 H311 0.9500 .
C312 H312 0.9500 .
C313 C314 1.3900 .
C313 C318 1.3900 .
C314 C315 1.3900 .
C314 H314 0.9500 .
C315 C316 1.3900 .
C315 H315 0.9500 .
C316 C317 1.3900 .
C316 H316 0.9500 .
C317 C318 1.3900 .
C317 H317 0.9500 .
C318 H318 0.9500 .
C319 C320 1.3900 .
C319 C324 1.3900 .
C320 C321 1.3900 .
C320 H320 0.9500 .
C321 C322 1.3900 .
C321 H321 0.9500 .
C322 C323 1.3900 .
C322 H322 0.8800 .
C323 C324 1.3900 .
C323 H323 0.8800 .
C324 H324 0.9500 .
O401 C401 1.206(13) .
C401 N401 1.362(12) .
C401 H401 0.9500 .
N401 C403 1.453(12) .
N401 C402 1.455(13) .
C402 H40A 0.8800 .
C402 H40B 0.8800 .
C402 H40C 0.8800 .
C403 H40D 0.9800 .
C403 H40E 0.9800 .
C403 H40F 0.9800 .
O501 C501 1.207(13) .
C501 N501 1.361(13) .
C501 H501 0.9500 .
N501 C503 1.449(13) .
N501 C502 1.455(13) .
C502 H50A 0.9800 .
C502 H50B 0.9800 .
C502 H50C 0.9800 .
C503 H50D 0.8800 .
C503 H50E 0.8800 .
C503 H50F 0.8800 .
O601 C601 1.211(13) .
C601 N601 1.364(13) .
C601 H601 0.9500 .
N601 C603 1.454(13) .
N601 C602 1.454(13) .
C602 H60A 0.9800 .
C602 H60B 0.9800 .
C602 H60C 0.9800 .
C603 H60D 0.8800 .
C603 H60E 0.8800 .
C603 H60F 0.8800 .
O611 C611 1.210(13) .
C611 N611 1.362(13) .
C611 H611 0.9500 .
N611 C613 1.448(13) .
N611 C612 1.456(13) .
C612 H61A 0.9800 .
C612 H61B 0.9800 .
C612 H61C 0.9800 .
C613 H61D 0.9800 .
C613 H61E 0.9800 .
C613 H61F 0.9800 .
O621 C621 1.208(13) .
C621 N621 1.363(13) .
C621 H621 0.9500 .
N621 C622 1.453(13) .
N621 C623 1.453(13) .
C622 H62A 0.9800 .
C622 H62B 0.9800 .
C622 H62C 0.9800 .
C623 H62D 0.9800 .
C623 H62E 0.9800 .
C623 H62F 0.9800 .
O631 C631 1.208(13) .
C631 N631 1.364(13) .
C631 H631 0.9500 .
N631 C633 1.452(13) .
N631 C632 1.453(13) .
C632 H63A 0.9800 .
C632 H63B 0.9800 .
C632 H63C 0.9800 .
C633 H63D 0.9800 .
C633 H63E 0.9800 .
C633 H63F 0.9800 .
O641 C641 1.208(16) .
C641 N641 1.361(15) .
C641 H641 0.9500 .
N641 C643 1.452(15) .
N641 C642 1.453(15) .
C642 H64A 0.9800 .
C642 H64B 0.9800 .
C642 H64C 0.9800 .
C643 H64D 0.9800 .
C643 H64E 0.9800 .
C643 H64F 0.9800 .
