#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/24/7012430.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_7012430
loop_
_publ_author_name
'Fernández, Susana'
'Forniés, Juan'
'Gil, Belén'
'Gómez, Julio'
'Lalinde, Elena'
_publ_section_title
;
 Synthesis, structural characterisation and photophysics of anionic
 cyclometalated bis(alkynyl)(benzo[h]quinolinate)platinate(ii) species
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              822
_journal_paper_doi               10.1039/b210907g
_journal_year                    2003
_chemical_formula_sum            'C43 H50.5 N4 Pt'
_chemical_formula_weight         818.46
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.9762(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.3798(2)
_cell_length_b                   16.8231(2)
_cell_length_c                   25.2980(4)
_cell_measurement_temperature    293(2)
_cell_volume                     7799.62(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'Phi scan + Omega scan'
_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  0.0531
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            47259
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         5.11
_exptl_absorpt_coefficient_mu    3.631
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.863
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.394
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3316
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.971
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         15798
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                10438
_reflns_number_total             15798
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210907g.txt
_cod_data_source_block           complex_6
_cod_original_cell_volume        7799.62(17)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C43 H50.50 N4 Pt'
_cod_database_code               7012430
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.135822(9) 0.214428(10) -0.248951(8) 0.05282(7) Uani 1 1 d . . .
Pt2 Pt -0.370528(9) 0.074208(11) -0.281978(8) 0.05496(7) Uani 1 1 d . . .
N1 N 0.2428(4) 0.3578(4) -0.3977(3) 0.137(2) Uani 1 1 d . . .
N2 N 0.3521(5) 0.2508(5) -0.0557(3) 0.179(3) Uani 1 1 d . . .
N3 N 0.0986(2) 0.1676(2) -0.18729(19) 0.0724(11) Uani 1 1 d . . .
N4 N -0.1948(4) -0.1137(4) -0.3512(3) 0.141(2) Uani 1 1 d . . .
N5 N -0.1638(3) -0.0032(3) -0.08790(19) 0.0900(14) Uani 1 1 d . . .
N6 N -0.4435(2) 0.1290(2) -0.24982(19) 0.0674(11) Uani 1 1 d . . .
N7 N 0.2742(2) 0.1967(2) 0.19442(19) 0.0729(12) Uani 1 1 d . . .
N8 N 0.2712(2) -0.0040(2) -0.26295(17) 0.0629(10) Uani 1 1 d . . .
C1 C 0.1608(2) 0.2578(3) -0.3130(2) 0.0561(12) Uani 1 1 d . . .
C2 C 0.1709(3) 0.2841(3) -0.3542(2) 0.0636(13) Uani 1 1 d . . .
C3 C 0.1788(3) 0.3177(3) -0.4037(3) 0.0747(15) Uani 1 1 d . . .
C4 C 0.1264(4) 0.3122(5) -0.4517(3) 0.113(2) Uani 1 1 d . . .
H4 H 0.0839 0.2845 -0.4542 0.136 Uiso 1 1 calc R . .
C5 C 0.1342(9) 0.3471(8) -0.4977(4) 0.172(5) Uani 1 1 d . . .
H5 H 0.0949 0.3454 -0.5307 0.207 Uiso 1 1 calc R . .
C6 C 0.1923(11) 0.3823(10) -0.4982(7) 0.198(8) Uani 1 1 d . . .
H6 H 0.1970 0.4019 -0.5313 0.237 Uiso 1 1 calc R . .
C7 C 0.2480(8) 0.3903(7) -0.4476(8) 0.192(6) Uani 1 1 d . . .
H7 H 0.2900 0.4178 -0.4466 0.231 Uiso 1 1 calc R . .
C8 C 0.2302(3) 0.2473(3) -0.1931(2) 0.0626(13) Uani 1 1 d . . .
C9 C 0.2847(3) 0.2639(3) -0.1556(2) 0.0667(13) Uani 1 1 d . . .
C10 C 0.3496(3) 0.2787(3) -0.1092(2) 0.0778(16) Uani 1 1 d . . .
C11 C 0.4036(3) 0.3158(4) -0.1163(2) 0.0755(16) Uani 1 1 d . . .
H11 H 0.4006 0.3340 -0.1516 0.091 Uiso 1 1 calc R . .
C12 C 0.4634(4) 0.3284(6) -0.0737(4) 0.143(4) Uani 1 1 d . . .
H12 H 0.5016 0.3559 -0.0800 0.172 Uiso 1 1 calc R . .
C13 C 0.4716(7) 0.3033(8) -0.0217(6) 0.170(5) Uani 1 1 d . . .
H13 H 0.5145 0.3140 0.0073 0.204 Uiso 1 1 calc R . .
C14 C 0.4189(10) 0.2636(7) -0.0121(4) 0.208(7) Uani 1 1 d . . .
H14 H 0.4253 0.2436 0.0235 0.250 Uiso 1 1 calc R . .
C15 C 0.1310(3) 0.1666(4) -0.1309(2) 0.0912(18) Uani 1 1 d . . .
H15 H 0.1767 0.1898 -0.1154 0.109 Uiso 1 1 calc R . .
C16 C 0.0975(4) 0.1320(4) -0.0961(3) 0.105(2) Uani 1 1 d . . .
H16 H 0.1215 0.1302 -0.0578 0.126 Uiso 1 1 calc R . .
C17 C 0.0297(4) 0.1005(4) -0.1176(3) 0.099(2) Uani 1 1 d . . .
H17 H 0.0068 0.0798 -0.0935 0.118 Uiso 1 1 calc R . .
C18 C -0.0057(3) 0.0987(3) -0.1743(3) 0.0729(15) Uani 1 1 d . . .
C19 C 0.0291(3) 0.1346(3) -0.2086(2) 0.0607(12) Uani 1 1 d . . .
C20 C -0.0020(2) 0.1355(3) -0.2676(2) 0.0589(12) Uani 1 1 d . . .
C21 C -0.0715(3) 0.0983(3) -0.2923(3) 0.0744(16) Uani 1 1 d . . .
C22 C -0.0984(3) 0.0965(4) -0.3507(3) 0.094(2) Uani 1 1 d . . .
H22 H -0.1430 0.0722 -0.3688 0.113 Uiso 1 1 calc R . .
C23 C -0.0599(3) 0.1299(4) -0.3814(3) 0.0904(18) Uani 1 1 d . . .
H23 H -0.0786 0.1284 -0.4203 0.109 Uiso 1 1 calc R . .
C24 C 0.0077(3) 0.1666(3) -0.3552(2) 0.0718(14) Uani 1 1 d . . .
H24 H 0.0330 0.1890 -0.3771 0.086 Uiso 1 1 calc R . .
C25 C 0.0373(2) 0.1704(3) -0.2982(2) 0.0507(11) Uani 1 1 d . . .
C26 C -0.1073(3) 0.0648(3) -0.2559(4) 0.0876(19) Uani 1 1 d . . .
H26 H -0.1532 0.0420 -0.2714 0.105 Uiso 1 1 calc R . .
C27 C -0.0766(3) 0.0657(3) -0.2007(4) 0.0843(18) Uani 1 1 d . . .
H27 H -0.1019 0.0442 -0.1786 0.101 Uiso 1 1 calc R . .
C28 C -0.3103(2) 0.0209(3) -0.3211(2) 0.0573(12) Uani 1 1 d . . .
C29 C -0.2800(3) -0.0144(3) -0.3475(2) 0.0658(13) Uani 1 1 d . . .
C30 C -0.2453(3) -0.0613(4) -0.3797(3) 0.0772(16) Uani 1 1 d . . .
C31 C -0.2644(3) -0.0495(6) -0.4358(3) 0.122(3) Uani 1 1 d . . .
H31 H -0.2980 -0.0109 -0.4541 0.146 Uiso 1 1 calc R . .
C32 C -0.2314(6) -0.0973(11) -0.4635(5) 0.221(8) Uani 1 1 d . . .
H32 H -0.2438 -0.0910 -0.5020 0.265 Uiso 1 1 calc R . .
C33 C -0.1822(8) -0.1529(11) -0.4387(9) 0.221(10) Uani 1 1 d . . .
H33 H -0.1615 -0.1863 -0.4588 0.266 Uiso 1 1 calc R . .
C34 C -0.1647(7) -0.1573(7) -0.3832(8) 0.210(7) Uani 1 1 d . . .
H34 H -0.1286 -0.1935 -0.3648 0.252 Uiso 1 1 calc R . .
C35 C -0.2936(3) 0.0690(3) -0.2083(2) 0.0631(13) Uani 1 1 d . . .
C36 C -0.2479(3) 0.0666(3) -0.1625(2) 0.0648(13) Uani 1 1 d . . .
C37 C -0.1945(3) 0.0666(4) -0.1077(2) 0.0657(13) Uani 1 1 d . . .
C38 C -0.1751(3) 0.1355(4) -0.0773(3) 0.0864(16) Uani 1 1 d . . .
H38 H -0.1974 0.1832 -0.0921 0.104 Uiso 1 1 calc R . .
C39 C -0.1227(4) 0.1342(6) -0.0250(3) 0.111(2) Uani 1 1 d . . .
H39 H -0.1095 0.1805 -0.0040 0.134 Uiso 1 1 calc R . .
C40 C -0.0912(4) 0.0644(6) -0.0052(3) 0.110(2) Uani 1 1 d . . .
H40 H -0.0553 0.0615 0.0297 0.133 Uiso 1 1 calc R . .
C41 C -0.1124(4) -0.0011(5) -0.0364(3) 0.105(2) Uani 1 1 d . . .
H41 H -0.0901 -0.0488 -0.0216 0.126 Uiso 1 1 calc R . .
C42 C -0.4370(3) 0.1483(3) -0.1963(2) 0.0716(14) Uani 1 1 d . . .
H42 H -0.3943 0.1354 -0.1678 0.086 Uiso 1 1 calc R . .
C43 C -0.4928(3) 0.1870(3) -0.1830(3) 0.0807(16) Uani 1 1 d . . .
H43 H -0.4867 0.1984 -0.1457 0.097 Uiso 1 1 calc R . .
C44 C -0.5556(3) 0.2085(3) -0.2226(3) 0.0811(17) Uani 1 1 d . . .
H44 H -0.5919 0.2351 -0.2130 0.097 Uiso 1 1 calc R . .
C45 C -0.5653(3) 0.1899(3) -0.2787(3) 0.0691(14) Uani 1 1 d . . .
C46 C -0.5085(2) 0.1501(3) -0.2905(2) 0.0600(12) Uani 1 1 d . . .
C47 C -0.5143(2) 0.1297(3) -0.3467(2) 0.0596(12) Uani 1 1 d . . .
C48 C -0.5782(3) 0.1502(3) -0.3908(3) 0.0765(15) Uani 1 1 d . . .
C49 C -0.5806(3) 0.1292(4) -0.4445(3) 0.0966(19) Uani 1 1 d . . .
H49 H -0.6213 0.1422 -0.4748 0.116 Uiso 1 1 calc R . .
C50 C -0.5238(4) 0.0896(4) -0.4533(3) 0.101(2) Uani 1 1 d . . .
H50 H -0.5259 0.0760 -0.4894 0.121 Uiso 1 1 calc R . .
C51 C -0.4624(3) 0.0693(3) -0.4079(2) 0.0817(16) Uani 1 1 d . . .
H51 H -0.4247 0.0413 -0.4147 0.098 Uiso 1 1 calc R . .
C52 C -0.4558(2) 0.0892(2) -0.35456(19) 0.0493(11) Uani 1 1 d . . .
C53 C -0.6349(3) 0.1915(3) -0.3765(3) 0.0897(19) Uani 1 1 d . . .
H53 H -0.6771 0.2056 -0.4051 0.108 Uiso 1 1 calc R . .
C54 C -0.6296(3) 0.2102(3) -0.3245(3) 0.0810(17) Uani 1 1 d . . .
H54 H -0.6679 0.2367 -0.3174 0.097 Uiso 1 1 calc R . .
C55 C 0.3191(3) 0.1331(3) 0.1787(3) 0.0779(15) Uani 1 1 d . . .
H55A H 0.3312 0.0928 0.2077 0.093 Uiso 1 1 calc R . .
H55B H 0.2891 0.1081 0.1444 0.093 Uiso 1 1 calc R . .
C56 C 0.3891(3) 0.1605(4) 0.1703(3) 0.106(2) Uani 1 1 d . . .
H56A H 0.3781 0.2015 0.1418 0.127 Uiso 1 1 calc R . .
H56B H 0.4209 0.1834 0.2048 0.127 Uiso 1 1 calc R . .
C57 C 0.4276(5) 0.0927(5) 0.1530(4) 0.135(3) Uani 1 1 d . . .
H57A H 0.4757 0.1111 0.1545 0.162 Uiso 1 1 calc R . .
H57B H 0.4346 0.0508 0.1805 0.162 Uiso 1 1 calc R . .
C58 C 0.3944(7) 0.0601(8) 0.1010(6) 0.216(6) Uani 1 1 d . . .
H58A H 0.3501 0.0342 0.1005 0.324 Uiso 1 1 calc R . .
H58B H 0.4266 0.0221 0.0930 0.324 Uiso 1 1 calc R . .
H58C H 0.3835 0.1014 0.0733 0.324 Uiso 1 1 calc R . .
C59 C 0.3178(3) 0.2380(3) 0.2481(3) 0.0838(17) Uani 1 1 d . . .
H59A H 0.2871 0.2782 0.2566 0.101 Uiso 1 1 calc R . .
H59B H 0.3586 0.2652 0.2418 0.101 Uiso 1 1 calc R . .
C60 C 0.3471(4) 0.1844(4) 0.2985(3) 0.0958(19) Uani 1 1 d . . .
H60A H 0.3074 0.1696 0.3120 0.115 Uiso 1 1 calc R . .
H60B H 0.3660 0.1362 0.2874 0.115 Uiso 1 1 calc R . .
C61 C 0.4056(4) 0.2224(4) 0.3446(3) 0.111(2) Uani 1 1 d . . .
H61A H 0.3889 0.2743 0.3521 0.133 Uiso 1 1 calc R . .
H61B H 0.4478 0.2305 0.3327 0.133 Uiso 1 1 calc R . .
C62 C 0.4284(4) 0.1750(5) 0.3979(3) 0.117(2) Uani 1 1 d . . .
H62A H 0.3871 0.1670 0.4103 0.176 Uiso 1 1 calc R . .
H62B H 0.4657 0.2034 0.4261 0.176 Uiso 1 1 calc R . .
H62C H 0.4471 0.1245 0.3914 0.176 Uiso 1 1 calc R . .
C63 C 0.2081(3) 0.1537(3) 0.2011(2) 0.0718(14) Uani 1 1 d . . .
H63A H 0.1828 0.1267 0.1663 0.086 Uiso 1 1 calc R . .
H63B H 0.2254 0.1133 0.2298 0.086 Uiso 1 1 calc R . .
C64 C 0.1538(3) 0.2058(3) 0.2165(3) 0.0905(18) Uani 1 1 d . . .
H64A H 0.1439 0.2530 0.1932 0.109 Uiso 1 1 calc R . .
H64B H 0.1744 0.2226 0.2552 0.109 Uiso 1 1 calc R . .
C65 C 0.0831(3) 0.1608(4) 0.2086(3) 0.096(2) Uani 1 1 d . . .
H65A H 0.0948 0.1097 0.2271 0.116 Uiso 1 1 calc R . .
H65B H 0.0542 0.1901 0.2270 0.116 Uiso 1 1 calc R . .
C66 C 0.0374(4) 0.1472(5) 0.1486(3) 0.118(2) Uani 1 1 d . . .
H66A H 0.0272 0.1972 0.1294 0.178 Uiso 1 1 calc R . .
H66B H -0.0076 0.1220 0.1471 0.178 Uiso 1 1 calc R . .
H66C H 0.0635 0.1136 0.1309 0.178 Uiso 1 1 calc R . .
C67 C 0.2507(4) 0.2608(3) 0.1503(3) 0.0936(19) Uani 1 1 d . . .
H67A H 0.2255 0.3021 0.1636 0.112 Uiso 1 1 calc R . .
H67B H 0.2940 0.2845 0.1456 0.112 Uiso 1 1 calc R . .
C68 C 0.2021(5) 0.2334(5) 0.0945(3) 0.135(3) Uani 1 1 d . . .
H68A H 0.1577 0.2108 0.0980 0.162 Uiso 1 1 calc R . .
H68B H 0.2265 0.1926 0.0801 0.162 Uiso 1 1 calc R . .
C69 C 0.1829(7) 0.3060(8) 0.0533(5) 0.197(5) Uani 1 1 d . . .
H69A H 0.1324 0.3192 0.0481 0.237 Uiso 1 1 calc R . .
H69B H 0.2119 0.3502 0.0733 0.237 Uiso 1 1 calc R . .
C70 C 0.188(2) 0.3066(14) 0.0150(8) 0.51(3) Uani 1 1 d . . .
C71 C 0.3246(3) -0.0599(3) -0.2761(2) 0.0673(14) Uani 1 1 d . . .
H71A H 0.2982 -0.0918 -0.3083 0.081 Uiso 1 1 calc R . .
H71B H 0.3438 -0.0959 -0.2447 0.081 Uiso 1 1 calc R . .
C72 C 0.3885(3) -0.0206(3) -0.2880(3) 0.0776(16) Uani 1 1 d . . .
H72A H 0.4215 0.0020 -0.2539 0.093 Uiso 1 1 calc R . .
H72B H 0.3709 0.0221 -0.3148 0.093 Uiso 1 1 calc R . .
C73 C 0.4293(3) -0.0818(4) -0.3116(3) 0.0945(19) Uani 1 1 d . . .
H73A H 0.4767 -0.0601 -0.3092 0.113 Uiso 1 1 calc R . .
H73B H 0.4376 -0.1290 -0.2884 0.113 Uiso 1 1 calc R . .
C74 C 0.3912(4) -0.1048(5) -0.3696(4) 0.130(3) Uani 1 1 d . . .
H74A H 0.3430 -0.1231 -0.3730 0.195 Uiso 1 1 calc R . .
H74B H 0.4177 -0.1467 -0.3802 0.195 Uiso 1 1 calc R . .
H74C H 0.3880 -0.0598 -0.3936 0.195 Uiso 1 1 calc R . .
C75 C 0.3093(3) 0.0507(3) -0.2150(2) 0.0747(15) Uani 1 1 d . . .
H75A H 0.2730 0.0847 -0.2078 0.090 Uiso 1 1 calc R . .
H75B H 0.3423 0.0846 -0.2266 0.090 Uiso 1 1 calc R . .
C76 C 0.3526(4) 0.0099(4) -0.1606(3) 0.0974(19) Uani 1 1 d . . .
H76A H 0.3208 -0.0265 -0.1497 0.117 Uiso 1 1 calc R . .
H76B H 0.3916 -0.0210 -0.1667 0.117 Uiso 1 1 calc R . .
C77 C 0.3839(5) 0.0664(5) -0.1151(3) 0.139(3) Uani 1 1 d . . .
H77A H 0.4149 0.1027 -0.1270 0.166 Uiso 1 1 calc R . .
H77B H 0.3442 0.0975 -0.1103 0.166 Uiso 1 1 calc R . .
C78 C 0.4261(5) 0.0351(6) -0.0611(4) 0.159(3) Uani 1 1 d . . .
H78A H 0.3939 0.0106 -0.0440 0.238 Uiso 1 1 calc R . .
H78B H 0.4522 0.0776 -0.0378 0.238 Uiso 1 1 calc R . .
H78C H 0.4601 -0.0036 -0.0657 0.238 Uiso 1 1 calc R . .
C79 C 0.2154(3) -0.0564(3) -0.2483(2) 0.0663(14) Uani 1 1 d . . .
H79A H 0.1886 -0.0867 -0.2811 0.080 Uiso 1 1 calc R . .
H79B H 0.2416 -0.0939 -0.2197 0.080 Uiso 1 1 calc R . .
C80 C 0.1615(3) -0.0121(3) -0.2277(3) 0.0900(18) Uani 1 1 d . . .
H80A H 0.1443 0.0342 -0.2511 0.108 Uiso 1 1 calc R . .
H80B H 0.1860 0.0063 -0.1899 0.108 Uiso 1 1 calc R . .
C81 C 0.0962(4) -0.0627(4) -0.2281(4) 0.102(2) Uani 1 1 d . . .
H81A H 0.1132 -0.1143 -0.2121 0.123 Uiso 1 1 calc R . .
H81B H 0.0713 -0.0375 -0.2049 0.123 Uiso 1 1 calc R . .
C82 C 0.0429(4) -0.0737(5) -0.2865(5) 0.138(3) Uani 1 1 d . . .
H82A H 0.0278 -0.0226 -0.3032 0.207 Uiso 1 1 calc R . .
H82B H 0.0010 -0.1026 -0.2846 0.207 Uiso 1 1 calc R . .
H82C H 0.0660 -0.1028 -0.3087 0.207 Uiso 1 1 calc R . .
C83 C 0.2335(3) 0.0497(3) -0.3118(2) 0.0722(15) Uani 1 1 d . . .
H83A H 0.2015 0.0854 -0.3006 0.087 Uiso 1 1 calc R . .
H83B H 0.2702 0.0819 -0.3200 0.087 Uiso 1 1 calc R . .
C84 C 0.1894(3) 0.0081(4) -0.3644(3) 0.106(2) Uani 1 1 d . . .
H84A H 0.2205 -0.0298 -0.3749 0.127 Uiso 1 1 calc R . .
H84B H 0.1505 -0.0214 -0.3572 0.127 Uiso 1 1 calc R . .
C85 C 0.1573(4) 0.0627(4) -0.4118(3) 0.112(2) Uani 1 1 d . . .
H85A H 0.1964 0.0891 -0.4211 0.135 Uiso 1 1 calc R . .
H85B H 0.1294 0.1033 -0.4004 0.135 Uiso 1 1 calc R . .
C86 C 0.1076(5) 0.0205(6) -0.4638(4) 0.177(4) Uani 1 1 d . . .
H86A H 0.1347 -0.0203 -0.4749 0.265 Uiso 1 1 calc R . .
H86B H 0.0898 0.0582 -0.4936 0.265 Uiso 1 1 calc R . .
H86C H 0.0672 -0.0030 -0.4555 0.265 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
C1 Pt1 C8 93.74(19) . . ?
C1 Pt1 C25 93.65(18) . . ?
C8 Pt1 C25 172.24(19) . . ?
C1 Pt1 N3 174.08(18) . . ?
C8 Pt1 N3 92.06(19) . . ?
C25 Pt1 N3 80.60(18) . . ?
C35 Pt2 C28 93.74(19) . . ?
C35 Pt2 C52 173.52(19) . . ?
C28 Pt2 C52 92.44(18) . . ?
C35 Pt2 N6 92.93(19) . . ?
C28 Pt2 N6 173.28(17) . . ?
C52 Pt2 N6 80.92(18) . . ?
C3 N1 C7 114.5(9) . . ?
C14 N2 C10 115.5(10) . . ?
C15 N3 C19 117.3(5) . . ?
C15 N3 Pt1 129.8(4) . . ?
C19 N3 Pt1 112.9(3) . . ?
C30 N4 C34 114.5(9) . . ?
C37 N5 C41 115.7(6) . . ?
C42 N6 C46 116.4(4) . . ?
C42 N6 Pt2 130.3(3) . . ?
C46 N6 Pt2 113.3(3) . . ?
C67 N7 C55 111.8(4) . . ?
C67 N7 C59 106.4(4) . . ?
C55 N7 C59 111.1(4) . . ?
C67 N7 C63 110.9(4) . . ?
C55 N7 C63 105.6(4) . . ?
C59 N7 C63 111.2(4) . . ?
C75 N8 C83 105.8(4) . . ?
C75 N8 C71 111.3(4) . . ?
C83 N8 C71 112.0(4) . . ?
C75 N8 C79 110.8(4) . . ?
C83 N8 C79 110.5(4) . . ?
C71 N8 C79 106.4(3) . . ?
C2 C1 Pt1 175.4(4) . . ?
C1 C2 C3 176.6(5) . . ?
C4 C3 N1 122.5(7) . . ?
C4 C3 C2 120.9(6) . . ?
N1 C3 C2 116.6(6) . . ?
C3 C4 C5 119.7(9) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 123.8(13) . . ?
C6 C5 H5 118.1 . . ?
C4 C5 H5 118.1 . . ?
C5 C6 C7 117.3(13) . . ?
C5 C6 H6 121.3 . . ?
C7 C6 H6 121.3 . . ?
C6 C7 N1 121.9(13) . . ?
C6 C7 H7 119.0 . . ?
N1 C7 H7 119.0 . . ?
C9 C8 Pt1 173.6(5) . . ?
C8 C9 C10 176.3(6) . . ?
C11 C10 N2 121.2(6) . . ?
C11 C10 C9 120.7(6) . . ?
N2 C10 C9 118.2(6) . . ?
C10 C11 C12 120.5(7) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C13 122.8(10) . . ?
C11 C12 H12 118.6 . . ?
C13 C12 H12 118.6 . . ?
C14 C13 C12 119.6(10) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 N2 120.3(12) . . ?
C13 C14 H14 119.9 . . ?
N2 C14 H14 119.9 . . ?
N3 C15 C16 121.5(6) . . ?
N3 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C17 C16 C15 120.3(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 121.1(6) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C17 C18 C19 117.4(6) . . ?
C17 C18 C27 125.0(6) . . ?
C19 C18 C27 117.5(6) . . ?
N3 C19 C18 122.2(5) . . ?
N3 C19 C20 115.5(4) . . ?
C18 C19 C20 122.2(5) . . ?
C25 C20 C19 118.2(4) . . ?
C25 C20 C21 123.6(5) . . ?
C19 C20 C21 118.2(5) . . ?
C22 C21 C20 116.4(6) . . ?
C22 C21 C26 125.3(6) . . ?
C20 C21 C26 118.4(6) . . ?
C23 C22 C21 120.6(6) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.8(6) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 121.6(5) . . ?
C25 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C24 C25 C20 116.9(4) . . ?
C24 C25 Pt1 130.1(4) . . ?
C20 C25 Pt1 112.8(3) . . ?
C27 C26 C21 121.6(6) . . ?
C27 C26 H26 119.2 . . ?
C21 C26 H26 119.2 . . ?
C26 C27 C18 122.0(6) . . ?
C26 C27 H27 119.0 . . ?
C18 C27 H27 119.0 . . ?
C29 C28 Pt2 173.8(4) . . ?
C28 C29 C30 176.9(5) . . ?
N4 C30 C31 124.1(7) . . ?
N4 C30 C29 116.6(6) . . ?
C31 C30 C29 119.3(6) . . ?
C32 C31 C30 116.1(10) . . ?
C32 C31 H31 122.0 . . ?
C30 C31 H31 122.0 . . ?
C33 C32 C31 123.8(13) . . ?
C33 C32 H32 118.1 . . ?
C31 C32 H32 118.1 . . ?
C34 C33 C32 115.5(11) . . ?
C34 C33 H33 122.3 . . ?
C32 C33 H33 122.3 . . ?
C33 C34 N4 125.9(13) . . ?
C33 C34 H34 117.0 . . ?
N4 C34 H34 117.0 . . ?
C36 C35 Pt2 178.2(5) . . ?
C35 C36 C37 177.8(6) . . ?
N5 C37 C38 121.6(5) . . ?
N5 C37 C36 117.1(5) . . ?
C38 C37 C36 121.3(5) . . ?
C37 C38 C39 120.3(7) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C40 C39 C38 118.3(7) . . ?
C40 C39 H39 120.8 . . ?
C38 C39 H39 120.8 . . ?
C41 C40 C39 119.0(7) . . ?
C41 C40 H40 120.5 . . ?
C39 C40 H40 120.5 . . ?
C40 C41 N5 125.1(7) . . ?
C40 C41 H41 117.5 . . ?
N5 C41 H41 117.5 . . ?
N6 C42 C43 121.7(5) . . ?
N6 C42 H42 119.1 . . ?
C43 C42 H42 119.1 . . ?
C44 C43 C42 121.8(6) . . ?
C44 C43 H43 119.1 . . ?
C42 C43 H43 119.1 . . ?
C43 C44 C45 118.9(5) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 H44 120.5 . . ?
C46 C45 C44 117.7(5) . . ?
C46 C45 C54 118.4(6) . . ?
C44 C45 C54 123.8(5) . . ?
N6 C46 C45 123.4(5) . . ?
N6 C46 C47 115.7(4) . . ?
C45 C46 C47 120.9(5) . . ?
C52 C47 C48 123.5(5) . . ?
C52 C47 C46 117.1(4) . . ?
C48 C47 C46 119.4(5) . . ?
C49 C48 C47 116.9(5) . . ?
C49 C48 C53 125.5(6) . . ?
C47 C48 C53 117.6(6) . . ?
C50 C49 C48 120.7(6) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
C49 C50 C51 120.1(6) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 122.4(6) . . ?
C52 C51 H51 118.8 . . ?
C50 C51 H51 118.8 . . ?
C51 C52 C47 116.5(4) . . ?
C51 C52 Pt2 130.6(4) . . ?
C47 C52 Pt2 112.9(3) . . ?
C54 C53 C48 123.0(6) . . ?
C54 C53 H53 118.5 . . ?
C48 C53 H53 118.5 . . ?
C53 C54 C45 120.7(5) . . ?
C53 C54 H54 119.7 . . ?
C45 C54 H54 119.7 . . ?
C56 C55 N7 116.2(4) . . ?
C56 C55 H55A 108.2 . . ?
N7 C55 H55A 108.2 . . ?
C56 C55 H55B 108.2 . . ?
N7 C55 H55B 108.2 . . ?
H55A C55 H55B 107.4 . . ?
C57 C56 C55 111.3(6) . . ?
C57 C56 H56A 109.4 . . ?
C55 C56 H56A 109.4 . . ?
C57 C56 H56B 109.4 . . ?
C55 C56 H56B 109.4 . . ?
H56A C56 H56B 108.0 . . ?
C58 C57 C56 117.3(9) . . ?
C58 C57 H57A 108.0 . . ?
C56 C57 H57A 108.0 . . ?
C58 C57 H57B 108.0 . . ?
C56 C57 H57B 108.0 . . ?
H57A C57 H57B 107.2 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N7 C59 C60 115.5(4) . . ?
N7 C59 H59A 108.4 . . ?
C60 C59 H59A 108.4 . . ?
N7 C59 H59B 108.4 . . ?
C60 C59 H59B 108.4 . . ?
H59A C59 H59B 107.5 . . ?
C61 C60 C59 112.9(5) . . ?
C61 C60 H60A 109.0 . . ?
C59 C60 H60A 109.0 . . ?
C61 C60 H60B 109.0 . . ?
C59 C60 H60B 109.0 . . ?
H60A C60 H60B 107.8 . . ?
C60 C61 C62 113.8(5) . . ?
C60 C61 H61A 108.8 . . ?
C62 C61 H61A 108.8 . . ?
C60 C61 H61B 108.8 . . ?
C62 C61 H61B 108.8 . . ?
H61A C61 H61B 107.7 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 N7 115.6(4) . . ?
C64 C63 H63A 108.4 . . ?
N7 C63 H63A 108.4 . . ?
C64 C63 H63B 108.4 . . ?
N7 C63 H63B 108.4 . . ?
H63A C63 H63B 107.5 . . ?
C63 C64 C65 110.4(5) . . ?
C63 C64 H64A 109.6 . . ?
C65 C64 H64A 109.6 . . ?
C63 C64 H64B 109.6 . . ?
C65 C64 H64B 109.6 . . ?
H64A C64 H64B 108.1 . . ?
C66 C65 C64 114.6(6) . . ?
C66 C65 H65A 108.6 . . ?
C64 C65 H65A 108.6 . . ?
C66 C65 H65B 108.6 . . ?
C64 C65 H65B 108.6 . . ?
H65A C65 H65B 107.6 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 N7 115.1(5) . . ?
C68 C67 H67A 108.5 . . ?
N7 C67 H67A 108.5 . . ?
C68 C67 H67B 108.5 . . ?
N7 C67 H67B 108.5 . . ?
H67A C67 H67B 107.5 . . ?
C67 C68 C69 109.1(8) . . ?
C67 C68 H68A 109.9 . . ?
C69 C68 H68A 109.9 . . ?
C67 C68 H68B 109.9 . . ?
C69 C68 H68B 109.9 . . ?
H68A C68 H68B 108.3 . . ?
C70 C69 C68 125(2) . . ?
C70 C69 H69A 106.1 . . ?
C68 C69 H69A 106.1 . . ?
C70 C69 H69B 106.1 . . ?
C68 C69 H69B 106.1 . . ?
H69A C69 H69B 106.3 . . ?
N8 C71 C72 115.7(4) . . ?
N8 C71 H71A 108.4 . . ?
C72 C71 H71A 108.4 . . ?
N8 C71 H71B 108.4 . . ?
C72 C71 H71B 108.4 . . ?
H71A C71 H71B 107.4 . . ?
C71 C72 C73 110.0(4) . . ?
C71 C72 H72A 109.7 . . ?
C73 C72 H72A 109.7 . . ?
C71 C72 H72B 109.7 . . ?
C73 C72 H72B 109.7 . . ?
H72A C72 H72B 108.2 . . ?
C74 C73 C72 114.3(6) . . ?
C74 C73 H73A 108.7 . . ?
C72 C73 H73A 108.7 . . ?
C74 C73 H73B 108.7 . . ?
C72 C73 H73B 108.7 . . ?
H73A C73 H73B 107.6 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
N8 C75 C76 115.7(4) . . ?
N8 C75 H75A 108.3 . . ?
C76 C75 H75A 108.3 . . ?
N8 C75 H75B 108.3 . . ?
C76 C75 H75B 108.3 . . ?
H75A C75 H75B 107.4 . . ?
C77 C76 C75 112.6(5) . . ?
C77 C76 H76A 109.1 . . ?
C75 C76 H76A 109.1 . . ?
C77 C76 H76B 109.1 . . ?
C75 C76 H76B 109.1 . . ?
H76A C76 H76B 107.8 . . ?
C78 C77 C76 118.0(7) . . ?
C78 C77 H77A 107.8 . . ?
C76 C77 H77A 107.8 . . ?
C78 C77 H77B 107.8 . . ?
C76 C77 H77B 107.8 . . ?
H77A C77 H77B 107.1 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C80 C79 N8 115.0(4) . . ?
C80 C79 H79A 108.5 . . ?
N8 C79 H79A 108.5 . . ?
C80 C79 H79B 108.5 . . ?
N8 C79 H79B 108.5 . . ?
H79A C79 H79B 107.5 . . ?
C79 C80 C81 113.0(5) . . ?
C79 C80 H80A 109.0 . . ?
C81 C80 H80A 109.0 . . ?
C79 C80 H80B 109.0 . . ?
C81 C80 H80B 109.0 . . ?
H80A C80 H80B 107.8 . . ?
C82 C81 C80 112.2(6) . . ?
C82 C81 H81A 109.2 . . ?
C80 C81 H81A 109.2 . . ?
C82 C81 H81B 109.2 . . ?
C80 C81 H81B 109.2 . . ?
H81A C81 H81B 107.9 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C84 C83 N8 115.5(4) . . ?
C84 C83 H83A 108.4 . . ?
N8 C83 H83A 108.4 . . ?
C84 C83 H83B 108.4 . . ?
N8 C83 H83B 108.4 . . ?
H83A C83 H83B 107.5 . . ?
C85 C84 C83 113.4(5) . . ?
C85 C84 H84A 108.9 . . ?
C83 C84 H84A 108.9 . . ?
C85 C84 H84B 108.9 . . ?
C83 C84 H84B 108.9 . . ?
H84A C84 H84B 107.7 . . ?
C84 C85 C86 112.9(6) . . ?
C84 C85 H85A 109.0 . . ?
C86 C85 H85A 109.0 . . ?
C84 C85 H85B 109.0 . . ?
C86 C85 H85B 109.0 . . ?
H85A C85 H85B 107.8 . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.976(6) . ?
Pt1 C8 1.992(5) . ?
Pt1 C25 2.050(4) . ?
Pt1 N3 2.074(4) . ?
Pt2 C35 1.975(5) . ?
Pt2 C28 1.975(6) . ?
Pt2 C52 2.047(4) . ?
Pt2 N6 2.063(4) . ?
N1 C3 1.377(8) . ?
N1 C7 1.410(13) . ?
N2 C14 1.419(14) . ?
N2 C10 1.420(9) . ?
N3 C15 1.358(6) . ?
N3 C19 1.393(6) . ?
N4 C30 1.340(8) . ?
N4 C34 1.358(14) . ?
N5 C37 1.339(7) . ?
N5 C41 1.360(8) . ?
N6 C42 1.358(6) . ?
N6 C46 1.390(6) . ?
N7 C67 1.512(7) . ?
N7 C55 1.512(6) . ?
N7 C59 1.514(7) . ?
N7 C63 1.529(6) . ?
N8 C75 1.509(6) . ?
N8 C83 1.513(6) . ?
N8 C71 1.515(5) . ?
N8 C79 1.531(6) . ?
C1 C2 1.205(7) . ?
C2 C3 1.427(8) . ?
C3 C4 1.309(8) . ?
C4 C5 1.355(12) . ?
C4 H4 0.9300 . ?
C5 C6 1.276(17) . ?
C5 H5 0.9300 . ?
C6 C7 1.387(18) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.201(6) . ?
C9 C10 1.434(7) . ?
C10 C11 1.280(7) . ?
C11 C12 1.317(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.342(14) . ?
C12 H12 0.9300 . ?
C13 C14 1.307(16) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.382(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.354(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.376(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.397(7) . ?
C18 C27 1.430(8) . ?
C19 C20 1.417(7) . ?
C20 C25 1.379(6) . ?
C20 C21 1.432(7) . ?
C21 C22 1.400(9) . ?
C21 C26 1.435(8) . ?
C22 C23 1.361(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.404(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.370(6) . ?
C24 H24 0.9300 . ?
C26 C27 1.327(8) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.182(6) . ?
C29 C30 1.447(8) . ?
C30 C31 1.360(9) . ?
C31 C32 1.355(14) . ?
C31 H31 0.9300 . ?
C32 C33 1.34(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.34(2) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.209(6) . ?
C36 C37 1.434(7) . ?
C37 C38 1.374(8) . ?
C38 C39 1.383(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.343(10) . ?
C39 H39 0.9300 . ?
C40 C41 1.339(10) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C43 1.394(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.350(8) . ?
C43 H43 0.9300 . ?
C44 C45 1.403(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.402(7) . ?
C45 C54 1.439(8) . ?
C46 C47 1.430(7) . ?
C47 C52 1.392(6) . ?
C47 C48 1.414(7) . ?
C48 C49 1.390(8) . ?
C48 C53 1.442(8) . ?
C49 C50 1.365(9) . ?
C49 H49 0.9300 . ?
C50 C51 1.401(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.356(7) . ?
C51 H51 0.9300 . ?
C53 C54 1.325(8) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C56 1.510(7) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.504(9) . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.376(12) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 C60 1.515(8) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 C61 1.481(8) . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 C62 1.504(9) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 C64 1.514(7) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 C65 1.522(8) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 C66 1.507(9) . ?
C65 H65A 0.9700 . ?
C65 H65B 0.9700 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 C68 1.492(10) . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C68 C69 1.571(12) . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C69 C70 1.002(15) . ?
C69 H69A 0.9700 . ?
C69 H69B 0.9700 . ?
C71 C72 1.519(6) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 C73 1.531(7) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C74 1.465(9) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 C76 1.522(8) . ?
C75 H75A 0.9700 . ?
C75 H75B 0.9700 . ?
C76 C77 1.463(9) . ?
C76 H76A 0.9700 . ?
C76 H76B 0.9700 . ?
C77 C78 1.445(10) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 C80 1.507(6) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C80 C81 1.523(8) . ?
C80 H80A 0.9700 . ?
C80 H80B 0.9700 . ?
C81 C82 1.513(10) . ?
C81 H81A 0.9700 . ?
C81 H81B 0.9700 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 C84 1.501(8) . ?
C83 H83A 0.9700 . ?
C83 H83B 0.9700 . ?
C84 C85 1.477(8) . ?
C84 H84A 0.9700 . ?
C84 H84B 0.9700 . ?
C85 C86 1.530(10) . ?
C85 H85A 0.9700 . ?
C85 H85B 0.9700 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
