#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:43:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179259 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/79/4317979.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_4317979
loop_
_publ_author_name
'Vincenzo G. Albano'
'Martino Di Serio'
'Magda Monari'
'Ida Orabona'
'Achille Panunzi'
'Francesco Ruffo'
_publ_section_title
;
 Mechanism of Silver-Promoted Ligand Metathesis in Square-Planar Complexes
 of d8 Ions. Kinetics of Formation and Molecular Structures of a
 Trinuclear Intermediate [(Me)(N-N)Pt(μ-Cl)Ag(μ-Cl)Pt(N-N)(Me)]+ and Its
 Dinuclear Evolution Product [(Me)(N-N)Pt(μ-Cl)Pt(N-N)(Me)]+ (N-N =
 ArNC(Me)C(Me)NAr, Ar = 2,6-(i-Pr)2C6H3)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2672
_journal_page_last               2677
_journal_paper_doi               10.1021/ic011059p
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C59 H86 B Cl4 F4 N4 Pt2'
_chemical_formula_weight         1470.11
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 112.1890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1700(10)
_cell_length_b                   24.5220(10)
_cell_length_c                   18.4640(10)
_cell_measurement_temperature    293(2)
_cell_volume                     6779.2(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR 97 (Giacovazzo, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device       'Bruker AXS SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frame'
_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  0.0707
_diffrn_reflns_av_sigmaI/netI    0.0885
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            77848
_diffrn_reflns_theta_full        31.01
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    4.327
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            dark_red
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2932
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.331
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.051
_refine_ls_goodness_of_fit_ref   0.863
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         19776
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.855
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0311P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                11278
_reflns_number_total             21567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011059p_2.cif
_cod_data_source_block           ptclpt
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4317979
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
Pt1 Pt 0.237245(11) 0.862721(6) 0.255833(9) 0.04267(5) Uani 1 d . .
Pt2 Pt 0.356915(11) 0.852365(6) 0.104342(8) 0.04138(5) Uani 1 d . .
Cl1 Cl 0.29640(8) 0.90466(4) 0.17508(6) 0.0561(3) Uani 1 d . .
N1 N 0.1905(2) 0.83437(13) 0.3340(2) 0.0441(8) Uani 1 d . .
N2 N 0.2793(2) 0.92269(13) 0.3427(2) 0.0461(8) Uani 1 d . .
N3 N 0.3111(2) 0.90290(12) 0.0050(2) 0.0421(8) Uani 1 d . .
N4 N 0.4034(2) 0.81418(12) 0.0317(2) 0.0421(8) Uani 1 d . .
C1 C 0.1852(3) 0.8015(2) 0.1741(2) 0.0524(11) Uani 1 d . .
H1A H 0.2012(3) 0.8080(2) 0.1298(2) 0.079 Uiso 1 calc R .
H1B H 0.1214(3) 0.8010(2) 0.1575(2) 0.079 Uiso 1 calc R .
H1C H 0.2090(3) 0.7669(2) 0.1971(2) 0.079 Uiso 1 calc R .
C2 C 0.2033(3) 0.8636(2) 0.3953(2) 0.0568(12) Uani 1 d . .
C3 C 0.1706(4) 0.8484(2) 0.4595(3) 0.081(2) Uani 1 d . .
H3A H 0.1394(4) 0.8143(2) 0.4471(3) 0.122 Uiso 1 calc R .
H3B H 0.1310(4) 0.8763(2) 0.4639(3) 0.122 Uiso 1 calc R .
H3C H 0.2207(4) 0.8452(2) 0.5082(3) 0.122 Uiso 1 calc R .
C4 C 0.2537(3) 0.9146(2) 0.4000(2) 0.0548(11) Uani 1 d . .
C5 C 0.2725(4) 0.9522(2) 0.4687(3) 0.084(2) Uani 1 d . .
H5A H 0.3056(4) 0.9832(2) 0.4628(3) 0.127 Uiso 1 calc R .
H5B H 0.3067(4) 0.9332(2) 0.5160(3) 0.127 Uiso 1 calc R .
H5C H 0.2171(4) 0.9642(2) 0.4712(3) 0.127 Uiso 1 calc R .
C6 C 0.3257(2) 0.97036(11) 0.3379(2) 0.0536(11) Uani 1 d G .
C7 C 0.2795(2) 1.01909(14) 0.3137(2) 0.0688(14) Uani 1 d G .
C8 C 0.3249(3) 1.06586(10) 0.3074(2) 0.095(2) Uani 1 d G .
H8 H 0.2941(4) 1.09846(13) 0.2912(3) 0.114 Uiso 1 calc R .
C9 C 0.4165(3) 1.06391(14) 0.3254(2) 0.105(2) Uani 1 d G .
H9 H 0.4469(4) 1.0952(2) 0.3212(3) 0.125 Uiso 1 calc R .
C10 C 0.4626(2) 1.0152(2) 0.3496(2) 0.096(2) Uani 1 d G .
H10 H 0.5238(2) 1.0139(3) 0.3616(3) 0.116 Uiso 1 calc R .
C11 C 0.4172(2) 0.96841(13) 0.3559(2) 0.0684(14) Uani 1 d G .
C12 C 0.4671(4) 0.9142(2) 0.3792(3) 0.083(2) Uani 1 d . .
H12 H 0.4232(4) 0.8852(2) 0.3568(3) 0.100 Uiso 1 calc R .
C13 C 0.5032(5) 0.9070(3) 0.4683(4) 0.141(3) Uani 1 d . .
H13A H 0.4558(5) 0.9126(3) 0.4868(4) 0.211 Uiso 1 calc R .
H13B H 0.5498(5) 0.9331(3) 0.4923(4) 0.211 Uiso 1 calc R .
H13C H 0.5267(5) 0.8708(3) 0.4815(4) 0.211 Uiso 1 calc R .
C14 C 0.5406(4) 0.9056(3) 0.3493(4) 0.148(3) Uani 1 d . .
H14A H 0.5681(4) 0.8708(3) 0.3667(4) 0.223 Uiso 1 calc R .
H14B H 0.5845(4) 0.9339(3) 0.3690(4) 0.223 Uiso 1 calc R .
H14C H 0.5162(4) 0.9066(3) 0.2932(4) 0.223 Uiso 1 calc R .
C15 C 0.1786(4) 1.0212(2) 0.2857(4) 0.093(2) Uani 1 d . .
H15 H 0.1593(4) 0.9884(2) 0.3051(4) 0.112 Uiso 1 calc R .
C16 C 0.1457(6) 1.0703(3) 0.3180(5) 0.158(3) Uani 1 d . .
H16A H 0.0816(6) 1.0699(3) 0.2987(5) 0.237 Uiso 1 calc R .
H16B H 0.1654(6) 1.1033(3) 0.3016(5) 0.237 Uiso 1 calc R .
H16C H 0.1692(6) 1.0686(3) 0.3741(5) 0.237 Uiso 1 calc R .
C17 C 0.1360(5) 1.0198(3) 0.1971(4) 0.158(4) Uani 1 d . .
H17A H 0.0722(5) 1.0211(3) 0.1808(4) 0.237 Uiso 1 calc R .
H17B H 0.1528(5) 0.9867(3) 0.1783(4) 0.237 Uiso 1 calc R .
H17C H 0.1561(5) 1.0505(3) 0.1760(4) 0.237 Uiso 1 calc R .
C18 C 0.1483(2) 0.78290(9) 0.3241(2) 0.0463(10) Uani 1 d G .
C19 C 0.2004(2) 0.73615(13) 0.3465(2) 0.0637(13) Uani 1 d G .
C20 C 0.1601(3) 0.68509(10) 0.3339(2) 0.081(2) Uani 1 d G .
H20 H 0.1950(3) 0.65381(12) 0.3489(3) 0.097 Uiso 1 calc R .
C21 C 0.0677(3) 0.68078(10) 0.2990(2) 0.088(2) Uani 1 d G .
H21 H 0.0408(4) 0.64661(12) 0.2906(3) 0.106 Uiso 1 calc R .
C22 C 0.0156(2) 0.72753(14) 0.2767(2) 0.0724(14) Uani 1 d G .
H22 H -0.0462(2) 0.7246(2) 0.2533(3) 0.087 Uiso 1 calc R .
C23 C 0.0559(2) 0.77859(11) 0.2892(2) 0.0576(12) Uani 1 d G .
C24 C -0.0044(3) 0.8292(2) 0.2646(3) 0.0740(15) Uani 1 d . .
H24 H 0.0334(3) 0.8617(2) 0.2805(3) 0.089 Uiso 1 calc R .
C25 C -0.0703(5) 0.8301(3) 0.3057(4) 0.124(3) Uani 1 d . .
H25A H -0.0382(5) 0.8287(3) 0.3613(4) 0.186 Uiso 1 calc R .
H25B H -0.1094(5) 0.7992(3) 0.2894(4) 0.186 Uiso 1 calc R .
H25C H -0.1049(5) 0.8630(3) 0.2923(4) 0.186 Uiso 1 calc R .
C26 C -0.0546(5) 0.8314(3) 0.1776(4) 0.142(3) Uani 1 d . .
H26A H -0.0130(5) 0.8308(3) 0.1518(4) 0.214 Uiso 1 calc R .
H26B H -0.0892(5) 0.8643(3) 0.1642(4) 0.214 Uiso 1 calc R .
H26C H -0.0937(5) 0.8005(3) 0.1612(4) 0.214 Uiso 1 calc R .
C27 C 0.3024(4) 0.7395(2) 0.3824(4) 0.085(2) Uani 1 d . .
H27 H 0.3182(4) 0.7769(2) 0.3740(4) 0.102 Uiso 1 calc R .
C28 C 0.3397(4) 0.7304(3) 0.4687(4) 0.141(3) Uani 1 d . .
H28A H 0.3103(4) 0.7541(3) 0.4928(4) 0.211 Uiso 1 calc R .
H28B H 0.4026(4) 0.7381(3) 0.4892(4) 0.211 Uiso 1 calc R .
H28C H 0.3303(4) 0.6931(3) 0.4795(4) 0.211 Uiso 1 calc R .
C29 C 0.3485(5) 0.7024(3) 0.3443(4) 0.137(3) Uani 1 d . .
H29A H 0.3244(5) 0.7083(3) 0.2887(4) 0.205 Uiso 1 calc R .
H29B H 0.3391(5) 0.6651(3) 0.3550(4) 0.205 Uiso 1 calc R .
H29C H 0.4114(5) 0.7101(3) 0.3647(4) 0.205 Uiso 1 calc R .
C30 C 0.4111(3) 0.7991(2) 0.1971(2) 0.0605(12) Uani 1 d . .
H30A H 0.3957(3) 0.8108(2) 0.2400(2) 0.091 Uiso 1 calc R .
H30B H 0.4749(3) 0.7986(2) 0.2131(2) 0.091 Uiso 1 calc R .
H30C H 0.3879(3) 0.7631(2) 0.1813(2) 0.091 Uiso 1 calc R .
C31 C 0.3377(3) 0.8888(2) -0.0497(2) 0.0471(10) Uani 1 d . .
C32 C 0.3154(4) 0.9181(2) -0.1252(3) 0.0751(15) Uani 1 d . .
H32A H 0.2814(4) 0.9502(2) -0.1253(3) 0.113 Uiso 1 calc R .
H32B H 0.2808(4) 0.8946(2) -0.1674(3) 0.113 Uiso 1 calc R .
H32C H 0.3695(4) 0.9283(2) -0.1317(3) 0.113 Uiso 1 calc R .
C33 C 0.3902(3) 0.8375(2) -0.0338(2) 0.0462(10) Uani 1 d . .
C34 C 0.4204(3) 0.8154(2) -0.0956(3) 0.0678(14) Uani 1 d . .
H34A H 0.4534(3) 0.7823(2) -0.0773(3) 0.102 Uiso 1 calc R .
H34B H 0.4579(3) 0.8418(2) -0.1068(3) 0.102 Uiso 1 calc R .
H34C H 0.3693(3) 0.8081(2) -0.1424(3) 0.102 Uiso 1 calc R .
C35 C 0.4417(2) 0.76103(9) 0.0479(2) 0.0482(10) Uani 1 d G .
C36 C 0.3854(2) 0.71595(13) 0.0290(2) 0.0672(13) Uani 1 d G .
C37 C 0.4211(3) 0.66370(10) 0.0448(2) 0.091(2) Uani 1 d G .
H37 H 0.3834(3) 0.63354(13) 0.0322(3) 0.109 Uiso 1 calc R .
C38 C 0.5130(3) 0.65653(10) 0.0795(2) 0.103(2) Uani 1 d G .
H38 H 0.5369(4) 0.62157(12) 0.0901(3) 0.124 Uiso 1 calc R .
C39 C 0.5693(2) 0.70160(14) 0.0984(2) 0.081(2) Uani 1 d G .
H39 H 0.6308(2) 0.6968(2) 0.1216(3) 0.098 Uiso 1 calc R .
C40 C 0.5336(2) 0.75385(11) 0.0826(2) 0.0569(12) Uani 1 d G .
C41 C 0.5983(3) 0.8018(2) 0.1028(3) 0.078(2) Uani 1 d . .
H41 H 0.5633(3) 0.8353(2) 0.0860(3) 0.093 Uiso 1 calc R .
C42 C 0.6645(4) 0.7992(2) 0.0627(4) 0.098(2) Uani 1 d . .
H42A H 0.7034(4) 0.8303(2) 0.0775(4) 0.147 Uiso 1 calc R .
H42B H 0.6328(4) 0.7992(2) 0.0070(4) 0.147 Uiso 1 calc R .
H42C H 0.6993(4) 0.7664(2) 0.0781(4) 0.147 Uiso 1 calc R .
C43 C 0.6501(5) 0.8052(3) 0.1910(4) 0.149(3) Uani 1 d . .
H43A H 0.6089(5) 0.8069(3) 0.2171(4) 0.224 Uiso 1 calc R .
H43B H 0.6868(5) 0.8373(3) 0.2030(4) 0.224 Uiso 1 calc R .
H43C H 0.6873(5) 0.7735(3) 0.2083(4) 0.224 Uiso 1 calc R .
C44 C 0.2842(4) 0.7236(2) -0.0058(4) 0.087(2) Uani 1 d . .
H44 H 0.2721(4) 0.7622(2) -0.0003(4) 0.105 Uiso 1 calc R .
C45 C 0.2351(5) 0.6903(3) 0.0361(4) 0.130(3) Uani 1 d . .
H45A H 0.2591(5) 0.6989(3) 0.0908(4) 0.195 Uiso 1 calc R .
H45B H 0.2430(5) 0.6521(3) 0.0292(4) 0.195 Uiso 1 calc R .
H45C H 0.1727(5) 0.6990(3) 0.0143(4) 0.195 Uiso 1 calc R .
C46 C 0.2469(5) 0.7103(3) -0.0924(4) 0.144(3) Uani 1 d . .
H46A H 0.1834(5) 0.7154(3) -0.1131(4) 0.217 Uiso 1 calc R .
H46B H 0.2605(5) 0.6731(3) -0.0998(4) 0.217 Uiso 1 calc R .
H46C H 0.2733(5) 0.7341(3) -0.1190(4) 0.217 Uiso 1 calc R .
C47 C 0.2545(2) 0.94892(10) -0.0027(2) 0.0514(11) Uani 1 d G .
C48 C 0.2901(2) 1.00121(12) 0.0126(2) 0.0614(12) Uani 1 d G .
C49 C 0.2341(3) 1.04572(9) 0.0047(2) 0.095(2) Uani 1 d G .
H49 H 0.2579(4) 1.08070(10) 0.0150(3) 0.114 Uiso 1 calc R .
C50 C 0.1425(3) 1.03795(14) -0.0185(2) 0.102(2) Uani 1 d G .
H50 H 0.1051(3) 1.0677(2) -0.0238(3) 0.122 Uiso 1 calc R .
C51 C 0.1070(2) 0.9857(2) -0.0338(2) 0.093(2) Uani 1 d G .
H51 H 0.0457(2) 0.9805(2) -0.0494(3) 0.111 Uiso 1 calc R .
C52 C 0.1629(2) 0.94115(12) -0.0259(2) 0.0685(13) Uani 1 d G .
C53 C 0.1245(3) 0.8843(2) -0.0371(3) 0.084(2) Uani 1 d . .
H53 H 0.1732(3) 0.8598(2) -0.0069(3) 0.100 Uiso 1 calc R .
C54 C 0.0498(4) 0.8758(3) -0.0074(4) 0.115(2) Uani 1 d . .
H54A H 0.0292(4) 0.8388(3) -0.0167(4) 0.173 Uiso 1 calc R .
H54B H 0.0013(4) 0.9001(3) -0.0343(4) 0.173 Uiso 1 calc R .
H54C H 0.0716(4) 0.8832(3) 0.0478(4) 0.173 Uiso 1 calc R .
C55 C 0.0945(5) 0.8666(3) -0.1216(5) 0.131(3) Uani 1 d . .
H55A H 0.0704(5) 0.8304(3) -0.1271(5) 0.197 Uiso 1 calc R .
H55B H 0.1446(5) 0.8669(3) -0.1375(5) 0.197 Uiso 1 calc R .
H55C H 0.0495(5) 0.8912(3) -0.1540(5) 0.197 Uiso 1 calc R .
C56 C 0.3912(4) 1.0106(2) 0.0448(3) 0.077(2) Uani 1 d . .
H56 H 0.4193(4) 0.9771(2) 0.0364(3) 0.093 Uiso 1 calc R .
C57 C 0.4178(5) 1.0574(2) 0.0015(4) 0.121(2) Uani 1 d . .
H57A H 0.3950(5) 1.0499(2) -0.0536(4) 0.182 Uiso 1 calc R .
H57B H 0.4817(5) 1.0603(2) 0.0207(4) 0.182 Uiso 1 calc R .
H57C H 0.3932(5) 1.0912(2) 0.0106(4) 0.182 Uiso 1 calc R .
C58 C 0.4263(5) 1.0212(3) 0.1325(4) 0.142(3) Uani 1 d . .
H58A H 0.4896(5) 1.0269(3) 0.1516(4) 0.213 Uiso 1 calc R .
H58B H 0.4135(5) 0.9903(3) 0.1585(4) 0.213 Uiso 1 calc R .
H58C H 0.3977(5) 1.0530(3) 0.1427(4) 0.213 Uiso 1 calc R .
B1 B 0.3192(6) 0.8739(3) 0.6772(4) 0.087(2) Uani 1 d . .
F1 F 0.2423(3) 0.8995(2) 0.6395(2) 0.1322(15) Uani 1 d . .
F2 F 0.3813(3) 0.8993(2) 0.7330(2) 0.147(2) Uani 1 d . .
F3 F 0.3026(3) 0.8289(2) 0.7098(3) 0.191(3) Uani 1 d . .
F4 F 0.3511(4) 0.8569(2) 0.6221(2) 0.192(3) Uani 1 d . .
Cl63 Cl 0.1220(3) 0.0051(2) 0.7365(3) 0.309(2) Uani 1 d D .
Cl62 Cl 0.2529(3) 0.0493(2) 0.7099(5) 0.426(5) Uani 1 d D .
Cl61 Cl 0.1055(6) 0.0252(2) 0.5885(3) 0.476(5) Uani 1 d D .
C60 C 0.1750(9) 0.0032(3) 0.6758(6) 0.209(6) Uani 1 d D .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
N1 Pt1 C1 96.55(14) . . ?
N1 Pt1 N2 78.00(13) . . ?
C1 Pt1 N2 174.02(15) . . ?
N1 Pt1 Cl1 173.05(10) . . ?
C1 Pt1 Cl1 90.34(11) . . ?
N2 Pt1 Cl1 95.08(9) . . ?
N1 Pt1 C2 23.78(12) . . ?
C1 Pt1 C2 120.25(14) . . ?
N2 Pt1 C2 54.23(12) . . ?
Cl1 Pt1 C2 149.27(9) . . ?
N1 Pt1 C4 53.85(13) . . ?
C1 Pt1 C4 150.20(14) . . ?
N2 Pt1 C4 24.17(12) . . ?
Cl1 Pt1 C4 119.22(9) . . ?
C2 Pt1 C4 30.07(12) . . ?
N1 Pt1 C18 24.01(10) . . ?
C1 Pt1 C18 72.73(12) . . ?
N2 Pt1 C18 101.93(10) . . ?
Cl1 Pt1 C18 162.94(6) . . ?
C2 Pt1 C18 47.78(10) . . ?
C4 Pt1 C18 77.82(10) . . ?
N1 Pt1 C6 100.01(11) . . ?
C1 Pt1 C6 163.12(12) . . ?
N2 Pt1 C6 22.03(10) . . ?
Cl1 Pt1 C6 73.06(6) . . ?
C2 Pt1 C6 76.23(11) . . ?
C4 Pt1 C6 46.16(10) . . ?
C18 Pt1 C6 123.95(7) . . ?
N1 Pt1 Pt2 155.41(9) . . ?
C1 Pt1 Pt2 67.13(11) . . ?
N2 Pt1 Pt2 118.83(9) . . ?
Cl1 Pt1 Pt2 30.31(3) . . ?
C2 Pt1 Pt2 163.13(10) . . ?
C4 Pt1 Pt2 141.58(9) . . ?
C18 Pt1 Pt2 134.38(5) . . ?
C6 Pt1 Pt2 98.11(6) . . ?
N4 Pt2 C30 96.35(15) . . ?
N4 Pt2 N3 77.81(12) . . ?
C30 Pt2 N3 173.92(15) . . ?
N4 Pt2 Cl1 172.48(9) . . ?
C30 Pt2 Cl1 91.15(12) . . ?
N3 Pt2 Cl1 94.68(9) . . ?
N4 Pt2 C33 23.87(11) . . ?
C30 Pt2 C33 120.09(14) . . ?
N3 Pt2 C33 54.00(12) . . ?
Cl1 Pt2 C33 148.62(9) . . ?
N4 Pt2 C31 53.97(12) . . ?
C30 Pt2 C31 150.11(14) . . ?
N3 Pt2 C31 23.92(11) . . ?
Cl1 Pt2 C31 118.51(9) . . ?
C33 Pt2 C31 30.12(11) . . ?
N4 Pt2 C35 23.66(10) . . ?
C30 Pt2 C35 73.19(13) . . ?
N3 Pt2 C35 101.12(10) . . ?
Cl1 Pt2 C35 163.75(6) . . ?
C33 Pt2 C35 47.45(10) . . ?
C31 Pt2 C35 77.45(10) . . ?
N4 Pt2 C47 100.02(10) . . ?
C30 Pt2 C47 163.63(13) . . ?
N3 Pt2 C47 22.30(10) . . ?
Cl1 Pt2 C47 72.48(6) . . ?
C33 Pt2 C47 76.28(10) . . ?
C31 Pt2 C47 46.21(10) . . ?
C35 Pt2 C47 123.10(7) . . ?
N4 Pt2 Pt1 155.50(9) . . ?
C30 Pt2 Pt1 67.87(12) . . ?
N3 Pt2 Pt1 118.20(9) . . ?
Cl1 Pt2 Pt1 30.31(3) . . ?
C33 Pt2 Pt1 162.99(8) . . ?
C31 Pt2 Pt1 140.92(8) . . ?
C35 Pt2 Pt1 134.38(5) . . ?
C47 Pt2 Pt1 96.56(5) . . ?
Pt2 Cl1 Pt1 119.39(5) . . ?
C2 N1 C18 121.3(3) . . ?
C2 N1 Pt1 117.7(3) . . ?
C18 N1 Pt1 121.0(2) . . ?
C4 N2 C6 121.4(3) . . ?
C4 N2 Pt1 114.2(3) . . ?
C6 N2 Pt1 124.2(2) . . ?
C31 N3 C47 121.8(3) . . ?
C31 N3 Pt2 114.5(3) . . ?
C47 N3 Pt2 123.7(2) . . ?
C33 N4 C35 120.7(3) . . ?
C33 N4 Pt2 116.9(3) . . ?
C35 N4 Pt2 122.1(2) . . ?
Pt1 C1 H1A 109.47(11) . . ?
Pt1 C1 H1B 109.47(12) . . ?
H1A C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.47(12) . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N1 C2 C4 115.1(4) . . ?
N1 C2 C3 124.4(4) . . ?
C4 C2 C3 120.5(4) . . ?
N1 C2 Pt1 38.6(2) . . ?
C4 C2 Pt1 76.6(2) . . ?
C3 C2 Pt1 162.9(3) . . ?
C2 C3 H3A 109.5(2) . . ?
C2 C3 H3B 109.5(3) . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5(3) . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N2 C4 C2 115.0(4) . . ?
N2 C4 C5 125.0(4) . . ?
C2 C4 C5 120.0(4) . . ?
N2 C4 Pt1 41.6(2) . . ?
C2 C4 Pt1 73.4(2) . . ?
C5 C4 Pt1 166.6(3) . . ?
C4 C5 H5A 109.5(3) . . ?
C4 C5 H5B 109.5(3) . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5(3) . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 120.0 . . ?
C7 C6 N2 120.0(3) . . ?
C11 C6 N2 120.0(3) . . ?
C7 C6 Pt1 118.7(2) . . ?
C11 C6 Pt1 109.8(2) . . ?
N2 C6 Pt1 33.8(2) . . ?
C6 C7 C8 120.0 . . ?
C6 C7 C15 121.2(3) . . ?
C8 C7 C15 118.5(3) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C6 120.0 . . ?
C10 C11 C12 120.1(3) . . ?
C6 C11 C12 119.9(3) . . ?
C14 C12 C11 115.2(5) . . ?
C14 C12 C13 110.1(5) . . ?
C11 C12 C13 110.4(5) . . ?
C14 C12 H12 106.9(4) . . ?
C11 C12 H12 106.9(2) . . ?
C13 C12 H12 106.9(4) . . ?
C12 C13 H13A 109.5(3) . . ?
C12 C13 H13B 109.5(4) . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5(4) . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5(4) . . ?
C12 C14 H14B 109.5(4) . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5(3) . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C7 C15 C17 111.0(5) . . ?
C7 C15 C16 112.6(5) . . ?
C17 C15 C16 110.9(5) . . ?
C7 C15 H15 107.3(3) . . ?
C17 C15 H15 107.3(4) . . ?
C16 C15 H15 107.3(4) . . ?
C15 C16 H16A 109.5(4) . . ?
C15 C16 H16B 109.5(4) . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5(4) . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5(4) . . ?
C15 C17 H17B 109.5(3) . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5(4) . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C23 120.0 . . ?
C19 C18 N1 119.3(2) . . ?
C23 C18 N1 120.6(2) . . ?
C19 C18 Pt1 109.43(14) . . ?
C23 C18 Pt1 117.40(14) . . ?
N1 C18 Pt1 34.97(15) . . ?
C18 C19 C20 120.0 . . ?
C18 C19 C27 121.1(3) . . ?
C20 C19 C27 118.8(3) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 C24 118.2(3) . . ?
C18 C23 C24 121.8(3) . . ?
C26 C24 C25 109.5(5) . . ?
C26 C24 C23 111.8(5) . . ?
C25 C24 C23 110.5(4) . . ?
C26 C24 H24 108.3(4) . . ?
C25 C24 H24 108.3(4) . . ?
C23 C24 H24 108.3(2) . . ?
C24 C25 H25A 109.5(3) . . ?
C24 C25 H25B 109.5(4) . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5(3) . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5(4) . . ?
C24 C26 H26B 109.5(4) . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5(4) . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 109.6(5) . . ?
C28 C27 C19 113.0(5) . . ?
C29 C27 C19 114.0(5) . . ?
C28 C27 H27 106.6(4) . . ?
C29 C27 H27 106.6(4) . . ?
C19 C27 H27 106.6(2) . . ?
C27 C28 H28A 109.5(4) . . ?
C27 C28 H28B 109.5(4) . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5(4) . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5(3) . . ?
C27 C29 H29B 109.5(4) . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5(4) . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Pt2 C30 H30A 109.47(12) . . ?
Pt2 C30 H30B 109.47(13) . . ?
H30A C30 H30B 109.5 . . ?
Pt2 C30 H30C 109.47(13) . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N3 C31 C33 114.1(3) . . ?
N3 C31 C32 125.0(4) . . ?
C33 C31 C32 120.9(4) . . ?
N3 C31 Pt2 41.5(2) . . ?
C33 C31 Pt2 72.6(2) . . ?
C32 C31 Pt2 166.5(3) . . ?
C31 C32 H32A 109.5(3) . . ?
C31 C32 H32B 109.5(3) . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5(3) . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N4 C33 C31 116.4(4) . . ?
N4 C33 C34 124.8(4) . . ?
C31 C33 C34 118.8(4) . . ?
N4 C33 Pt2 39.2(2) . . ?
C31 C33 Pt2 77.2(2) . . ?
C34 C33 Pt2 164.0(3) . . ?
C33 C34 H34A 109.5(2) . . ?
C33 C34 H34B 109.5(3) . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5(2) . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C40 120.0 . . ?
C36 C35 N4 118.9(2) . . ?
C40 C35 N4 121.1(2) . . ?
C36 C35 Pt2 109.73(14) . . ?
C40 C35 Pt2 118.84(14) . . ?
N4 C35 Pt2 34.27(15) . . ?
C35 C36 C37 120.0 . . ?
C35 C36 C44 120.3(3) . . ?
C37 C36 C44 119.7(3) . . ?
C36 C37 C38 120.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 C39 120.0 . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C35 120.0 . . ?
C39 C40 C41 117.9(3) . . ?
C35 C40 C41 122.1(3) . . ?
C42 C41 C40 113.2(4) . . ?
C42 C41 C43 108.6(5) . . ?
C40 C41 C43 110.7(5) . . ?
C42 C41 H41 108.1(3) . . ?
C40 C41 H41 108.1(2) . . ?
C43 C41 H41 108.1(4) . . ?
C41 C42 H42A 109.5(3) . . ?
C41 C42 H42B 109.5(3) . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5(3) . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5(4) . . ?
C41 C43 H43B 109.5(4) . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5(4) . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C46 C44 C36 110.7(5) . . ?
C46 C44 C45 110.0(5) . . ?
C36 C44 C45 113.5(5) . . ?
C46 C44 H44 107.5(4) . . ?
C36 C44 H44 107.5(2) . . ?
C45 C44 H44 107.5(4) . . ?
C44 C45 H45A 109.5(3) . . ?
C44 C45 H45B 109.5(4) . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5(4) . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5(4) . . ?
C44 C46 H46B 109.5(4) . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5(4) . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 C47 C52 120.0 . . ?
C48 C47 N3 120.6(2) . . ?
C52 C47 N3 119.4(2) . . ?
C48 C47 Pt2 119.34(15) . . ?
C52 C47 Pt2 109.84(15) . . ?
N3 C47 Pt2 34.01(15) . . ?
C49 C48 C47 120.0 . . ?
C49 C48 C56 118.7(3) . . ?
C47 C48 C56 121.1(3) . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 C53 119.5(3) . . ?
C47 C52 C53 120.3(3) . . ?
C52 C53 C55 111.2(5) . . ?
C52 C53 C54 114.8(5) . . ?
C55 C53 C54 110.2(5) . . ?
C52 C53 H53 106.7(2) . . ?
C55 C53 H53 106.7(4) . . ?
C54 C53 H53 106.7(3) . . ?
C53 C54 H54A 109.5(4) . . ?
C53 C54 H54B 109.5(3) . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5(3) . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5(4) . . ?
C53 C55 H55B 109.5(4) . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5(4) . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C58 C56 C48 110.7(5) . . ?
C58 C56 C57 111.0(5) . . ?
C48 C56 C57 112.0(5) . . ?
C58 C56 H56 107.7(4) . . ?
C48 C56 H56 107.7(2) . . ?
C57 C56 H56 107.7(3) . . ?
C56 C57 H57A 109.5(3) . . ?
C56 C57 H57B 109.5(3) . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5(3) . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5(4) . . ?
C56 C58 H58B 109.5(3) . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5(4) . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
F2 B1 F1 118.8(7) . . ?
F2 B1 F3 105.6(6) . . ?
F1 B1 F3 108.6(7) . . ?
F2 B1 F4 109.8(7) . . ?
F1 B1 F4 107.1(5) . . ?
F3 B1 F4 106.2(7) . . ?
Cl62 C60 Cl63 104.0(6) . . ?
Cl62 C60 Cl61 106.9(6) . . ?
Cl63 C60 Cl61 108.3(8) . . ?
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 N1 1.990(3) . ?
Pt1 C1 2.069(4) . ?
Pt1 N2 2.091(3) . ?
Pt1 Cl1 2.2963(10) . ?
Pt1 C2 2.828(4) . ?
Pt1 C4 2.871(4) . ?
Pt1 C18 2.976(2) . ?
Pt1 C6 3.110(3) . ?
Pt1 Pt2 3.9650(3) . ?
Pt2 N4 2.000(3) . ?
Pt2 C30 2.068(4) . ?
Pt2 N3 2.103(3) . ?
Pt2 Cl1 2.2963(10) . ?
Pt2 C33 2.822(4) . ?
Pt2 C31 2.884(4) . ?
Pt2 C35 3.010(2) . ?
Pt2 C47 3.128(2) . ?
N1 C2 1.288(5) . ?
N1 C18 1.413(4) . ?
N2 C4 1.289(5) . ?
N2 C6 1.410(4) . ?
N3 C31 1.285(5) . ?
N3 C47 1.426(4) . ?
N4 C33 1.281(5) . ?
N4 C35 1.426(4) . ?
C1 H1A 0.96 . ?
C1 H1B 0.96 . ?
C1 H1C 0.96 . ?
C2 C4 1.479(6) . ?
C2 C3 1.515(6) . ?
C3 H3A 0.96 . ?
C3 H3B 0.96 . ?
C3 H3C 0.96 . ?
C4 C5 1.503(6) . ?
C5 H5A 0.96 . ?
C5 H5B 0.96 . ?
C5 H5C 0.96 . ?
C6 C7 1.39 . ?
C6 C11 1.39 . ?
C7 C8 1.39 . ?
C7 C15 1.515(7) . ?
C8 C9 1.39 . ?
C8 H8 0.93 . ?
C9 C10 1.39 . ?
C9 H9 0.93 . ?
C10 C11 1.39 . ?
C10 H10 0.93 . ?
C11 C12 1.530(6) . ?
C12 C14 1.503(8) . ?
C12 C13 1.533(7) . ?
C12 H12 0.98 . ?
C13 H13A 0.96 . ?
C13 H13B 0.96 . ?
C13 H13C 0.96 . ?
C14 H14A 0.96 . ?
C14 H14B 0.96 . ?
C14 H14C 0.96 . ?
C15 C17 1.518(8) . ?
C15 C16 1.526(8) . ?
C15 H15 0.98 . ?
C16 H16A 0.96 . ?
C16 H16B 0.96 . ?
C16 H16C 0.96 . ?
C17 H17A 0.96 . ?
C17 H17B 0.96 . ?
C17 H17C 0.96 . ?
C18 C19 1.39 . ?
C18 C23 1.39 . ?
C19 C20 1.39 . ?
C19 C27 1.529(6) . ?
C20 C21 1.39 . ?
C20 H20 0.93 . ?
C21 C22 1.39 . ?
C21 H21 0.93 . ?
C22 C23 1.39 . ?
C22 H22 0.93 . ?
C23 C24 1.536(5) . ?
C24 C26 1.503(7) . ?
C24 C25 1.525(8) . ?
C24 H24 0.98 . ?
C25 H25A 0.96 . ?
C25 H25B 0.96 . ?
C25 H25C 0.96 . ?
C26 H26A 0.96 . ?
C26 H26B 0.96 . ?
C26 H26C 0.96 . ?
C27 C28 1.492(8) . ?
C27 C29 1.511(8) . ?
C27 H27 0.98 . ?
C28 H28A 0.96 . ?
C28 H28B 0.96 . ?
C28 H28C 0.96 . ?
C29 H29A 0.96 . ?
C29 H29B 0.96 . ?
C29 H29C 0.96 . ?
C30 H30A 0.96 . ?
C30 H30B 0.96 . ?
C30 H30C 0.96 . ?
C31 C33 1.484(5) . ?
C31 C32 1.486(5) . ?
C32 H32A 0.96 . ?
C32 H32B 0.96 . ?
C32 H32C 0.96 . ?
C33 C34 1.502(6) . ?
C34 H34A 0.96 . ?
C34 H34B 0.96 . ?
C34 H34C 0.96 . ?
C35 C36 1.39 . ?
C35 C40 1.39 . ?
C36 C37 1.39 . ?
C36 C44 1.527(6) . ?
C37 C38 1.39 . ?
C37 H37 0.93 . ?
C38 C39 1.39 . ?
C38 H38 0.93 . ?
C39 C40 1.39 . ?
C39 H39 0.93 . ?
C40 C41 1.523(6) . ?
C41 C42 1.516(7) . ?
C41 C43 1.526(8) . ?
C41 H41 0.98 . ?
C42 H42A 0.96 . ?
C42 H42B 0.96 . ?
C42 H42C 0.96 . ?
C43 H43A 0.96 . ?
C43 H43B 0.96 . ?
C43 H43C 0.96 . ?
C44 C46 1.515(8) . ?
C44 C45 1.536(8) . ?
C44 H44 0.98 . ?
C45 H45A 0.96 . ?
C45 H45B 0.96 . ?
C45 H45C 0.96 . ?
C46 H46A 0.96 . ?
C46 H46B 0.96 . ?
C46 H46C 0.96 . ?
C47 C48 1.39 . ?
C47 C52 1.39 . ?
C48 C49 1.39 . ?
C48 C56 1.532(6) . ?
C49 C50 1.39 . ?
C49 H49 0.93 . ?
C50 C51 1.39 . ?
C50 H50 0.93 . ?
C51 C52 1.39 . ?
C51 H51 0.93 . ?
C52 C53 1.508(6) . ?
C53 C55 1.512(8) . ?
C53 C54 1.518(8) . ?
C53 H53 0.98 . ?
C54 H54A 0.96 . ?
C54 H54B 0.96 . ?
C54 H54C 0.96 . ?
C55 H55A 0.96 . ?
C55 H55B 0.96 . ?
C55 H55C 0.96 . ?
C56 C58 1.522(8) . ?
C56 C57 1.550(7) . ?
C56 H56 0.98 . ?
C57 H57A 0.96 . ?
C57 H57B 0.96 . ?
C57 H57C 0.96 . ?
C58 H58A 0.96 . ?
C58 H58B 0.96 . ?
C58 H58C 0.96 . ?
B1 F2 1.294(7) . ?
B1 F1 1.330(8) . ?
B1 F3 1.331(9) . ?
B1 F4 1.369(9) . ?
Cl63 C60 1.650(9) . ?
Cl62 C60 1.630(11) . ?
Cl61 C60 1.668(10) . ?
