#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:01:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179737 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/33/7003340.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_7003340
loop_
_publ_author_name
'Singh, Anupam'
'Anandhi, U.'
'Cinellu, Maria Agostina'
'Sharp, Paul R.'
_publ_section_title
;
 Diimine supported group 10 hydroxo, oxo, amido, and imido complexes
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              2314
_journal_page_last               2327
_journal_paper_doi               10.1039/b715663d
_journal_year                    2008
_chemical_formula_moiety
'C90 H95 Au N4 O2 P Pt2 1+, B F4 1-, 0.5(C H2 Cl2), 3(C7 H8), 0.5(C7)'
_chemical_formula_sum            'C115 H120 Au B Cl F4 N4 O2 P Pt2'
_chemical_formula_weight         2330.56
_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                 104.968(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8799(14)
_cell_length_b                   31.125(3)
_cell_length_c                   25.166(3)
_cell_measurement_reflns_used    6573
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.32
_cell_volume                     10503.1(19)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics
;
L. J. Barbour, X-Seed - Graphical Interface to
SHELX-97 and POV-Ray, 1999
ORTEP (Johnson, 1976), ORTEP 3 for Windows (L. J. Farrugia, 1997)
;
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement
;
SHELXL-97 (Sheldrick, 1997), L. J. Barbour, X-Seed - Graphical Interface to
SHELX-97 and POV-Ray, 1999
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0796
_diffrn_reflns_av_sigmaI/netI    0.1203
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            65823
_diffrn_reflns_theta_full        27.15
_diffrn_reflns_theta_max         27.15
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    4.175
_exptl_absorpt_correction_T_max  0.5732
_exptl_absorpt_correction_T_min  0.2552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Data were corrected for decay and absorption using the program SADABS
based on the method of R.H. Blessing (Acta Cryst. A51, 33-38, 1995).
;
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             4720
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.561
_refine_diff_density_min         -1.028
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1165
_refine_ls_number_reflns         23218
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0555P)²+1.7780P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1028
_refine_ls_wR_factor_ref         0.1309
_reflns_number_gt                12928
_reflns_number_total             23218
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b715663d.txt
_cod_data_source_block           Pt2(Bian)2O2AuLBF4_(5)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        10503.3(18)
_cod_original_sg_symbol_H-M      'P2(1)/n '
_cod_database_code               7003340
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
Au1 Au 0.18986(2) 0.873870(10) 0.672273(14) 0.02739(9) Uani 1 1 d . . .
Pt1 Pt 0.07914(2) 0.823918(10) 0.570567(13) 0.02425(9) Uani 1 1 d . . .
P1 P 0.16181(17) 0.91867(7) 0.73514(10) 0.0294(5) Uani 1 1 d . . .
F1 F -0.3810(7) 1.0825(4) 0.7711(4) 0.155(4) Uani 1 1 d . . .
O1 O 0.2217(4) 0.83541(16) 0.6127(2) 0.0262(13) Uani 1 1 d . . .
N1 N 0.0580(5) 0.8646(2) 0.5062(3) 0.0281(16) Uani 1 1 d . . .
C73 C 0.0445(6) 0.9478(3) 0.7113(3) 0.028(2) Uani 1 1 d . . .
B1 B -0.3766(13) 1.0697(6) 0.7210(8) 0.084(5) Uani 1 1 d . . .
Pt2 Pt 0.24118(2) 0.776804(10) 0.648645(14) 0.02403(9) Uani 1 1 d . . .
F2 F -0.3944(7) 1.1097(3) 0.6881(5) 0.155(4) Uani 1 1 d . . .
O2 O 0.0943(4) 0.77996(17) 0.6279(2) 0.0304(14) Uani 1 1 d . . .
N2 N -0.0675(5) 0.8180(2) 0.5388(3) 0.0326(17) Uani 1 1 d . . .
C74 C -0.0098(7) 0.9629(3) 0.7464(4) 0.040(2) Uani 1 1 d . . .
H2 H 0.0115 0.9563 0.7845 0.048 Uiso 1 1 calc R . .
F3 F -0.4514(5) 1.0446(2) 0.6963(3) 0.101(3) Uani 1 1 d . . .
N3 N 0.3906(5) 0.7767(2) 0.6753(3) 0.0258(15) Uani 1 1 d . . .
C75 C -0.0949(7) 0.9873(3) 0.7268(4) 0.047(3) Uani 1 1 d . . .
H3 H -0.1306 0.9976 0.7517 0.056 Uiso 1 1 calc R . .
F4 F -0.2874(5) 1.0595(3) 0.7177(4) 0.113(3) Uani 1 1 d . . .
N4 N 0.2639(5) 0.71583(19) 0.6748(3) 0.0285(17) Uani 1 1 d . . .
C76 C -0.1286(7) 0.9970(3) 0.6716(5) 0.053(3) Uani 1 1 d . . .
H4 H -0.1863 1.0143 0.6586 0.063 Uiso 1 1 calc R . .
C77 C -0.0770(9) 0.9810(3) 0.6353(5) 0.065(3) Uani 1 1 d . . .
H5 H -0.1006 0.9861 0.5969 0.078 Uiso 1 1 calc R . .
C78 C 0.0108(8) 0.9572(3) 0.6564(4) 0.051(3) Uani 1 1 d . . .
H6 H 0.0479 0.9474 0.6319 0.062 Uiso 1 1 calc R . .
C79 C 0.1574(6) 0.8929(3) 0.7993(3) 0.029(2) Uani 1 1 d . . .
C80 C 0.1808(8) 0.9144(3) 0.8498(4) 0.048(3) Uani 1 1 d . . .
H12 H 0.2015 0.9436 0.8517 0.058 Uiso 1 1 calc R . .
C81 C 0.1737(9) 0.8934(3) 0.8963(4) 0.058(3) Uani 1 1 d . . .
H13 H 0.1888 0.9084 0.9303 0.070 Uiso 1 1 calc R . .
C82 C 0.1453(8) 0.8512(3) 0.8949(4) 0.055(3) Uani 1 1 d . . .
H14 H 0.1406 0.8369 0.9275 0.065 Uiso 1 1 calc R . .
C83 C 0.1237(8) 0.8301(3) 0.8456(4) 0.056(3) Uani 1 1 d . . .
H15 H 0.1040 0.8008 0.8444 0.067 Uiso 1 1 calc R . .
C84 C 0.1294(7) 0.8497(3) 0.7980(4) 0.041(2) Uani 1 1 d . . .
H16 H 0.1146 0.8342 0.7643 0.050 Uiso 1 1 calc R . .
C85 C 0.2556(6) 0.9606(3) 0.7526(3) 0.027(2) Uani 1 1 d . . .
C86 C 0.2393(7) 0.9990(3) 0.7789(4) 0.035(2) Uani 1 1 d . . .
H22 H 0.1772 1.0039 0.7872 0.042 Uiso 1 1 calc R . .
C87 C 0.3146(7) 1.0297(3) 0.7926(4) 0.043(3) Uani 1 1 d . . .
H23 H 0.3042 1.0556 0.8104 0.052 Uiso 1 1 calc R . .
C88 C 0.4062(7) 1.0223(3) 0.7800(4) 0.039(2) Uani 1 1 d . . .
H24 H 0.4577 1.0432 0.7894 0.047 Uiso 1 1 calc R . .
C89 C 0.4212(7) 0.9853(3) 0.7545(4) 0.044(3) Uani 1 1 d . . .
H25 H 0.4830 0.9808 0.7457 0.053 Uiso 1 1 calc R . .
C90 C 0.3476(7) 0.9544(3) 0.7412(4) 0.041(2) Uani 1 1 d . . .
H26 H 0.3599 0.9285 0.7240 0.049 Uiso 1 1 calc R . .
C1 C -0.0356(7) 0.8710(3) 0.4817(4) 0.034(2) Uani 1 1 d . . .
C2 C -0.1075(6) 0.8465(3) 0.5016(4) 0.034(2) Uani 1 1 d . . .
C3 C -0.3034(8) 0.8465(4) 0.4698(5) 0.065(3) Uani 1 1 d . . .
H3A H -0.3153 0.8268 0.4962 0.079 Uiso 1 1 calc R . .
C4 C -0.3828(9) 0.8653(5) 0.4298(5) 0.085(5) Uani 1 1 d . . .
H4A H -0.4492 0.8576 0.4295 0.102 Uiso 1 1 calc R . .
C5 C -0.3687(9) 0.8939(5) 0.3915(5) 0.087(5) Uani 1 1 d . . .
H5A H -0.4247 0.9068 0.3668 0.104 Uiso 1 1 calc R . .
C6 C -0.2411(12) 0.9327(4) 0.3516(5) 0.077(5) Uani 1 1 d . . .
H6A H -0.2908 0.9474 0.3247 0.093 Uiso 1 1 calc R . .
C7 C -0.1462(11) 0.9396(4) 0.3530(5) 0.069(4) Uani 1 1 d . . .
H7A H -0.1310 0.9570 0.3252 0.083 Uiso 1 1 calc R . .
C8 C -0.0667(9) 0.9219(3) 0.3943(4) 0.055(3) Uani 1 1 d . . .
H8A H 0.0009 0.9283 0.3957 0.067 Uiso 1 1 calc R . .
C9 C -0.0916(8) 0.8949(3) 0.4327(4) 0.047(3) Uani 1 1 d . . .
C10 C -0.2078(7) 0.8580(3) 0.4689(4) 0.042(2) Uani 1 1 d . . .
C11 C -0.2725(9) 0.9043(3) 0.3884(4) 0.057(3) Uani 1 1 d . . .
C12 C -0.1920(8) 0.8866(3) 0.4298(4) 0.046(3) Uani 1 1 d . . .
C13 C 0.1323(7) 0.8784(3) 0.4779(3) 0.030(2) Uani 1 1 d . . .
C14 C 0.1422(7) 0.8536(3) 0.4334(4) 0.040(2) Uani 1 1 d . . .
C15 C 0.2072(8) 0.8683(3) 0.4040(4) 0.050(3) Uani 1 1 d . . .
H15A H 0.2135 0.8525 0.3728 0.060 Uiso 1 1 calc R . .
C16 C 0.2632(7) 0.9053(3) 0.4184(4) 0.044(3) Uani 1 1 d . . .
H16A H 0.3069 0.9146 0.3972 0.053 Uiso 1 1 calc R . .
C17 C 0.2554(7) 0.9281(3) 0.4629(4) 0.038(2) Uani 1 1 d . . .
H17A H 0.2951 0.9531 0.4731 0.046 Uiso 1 1 calc R . .
C18 C 0.1895(7) 0.9155(3) 0.4947(4) 0.036(2) Uani 1 1 d . . .
C19 C 0.0884(8) 0.8107(3) 0.4190(4) 0.045(3) Uani 1 1 d . . .
H19A H 0.0346 0.8097 0.4388 0.055 Uiso 1 1 calc R . .
C22 C 0.1814(7) 0.9421(3) 0.5437(4) 0.038(2) Uani 1 1 d . . .
H20A H 0.1375 0.9260 0.5626 0.046 Uiso 1 1 calc R . .
C20 C 0.0387(9) 0.8053(3) 0.3586(4) 0.067(3) Uani 1 1 d . . .
H21A H 0.0897 0.8037 0.3380 0.100 Uiso 1 1 calc R . .
H21B H -0.0052 0.8299 0.3456 0.100 Uiso 1 1 calc R . .
H21C H -0.0008 0.7788 0.3530 0.100 Uiso 1 1 calc R . .
C21 C 0.1592(10) 0.7740(3) 0.4409(5) 0.088(4) Uani 1 1 d . . .
H22A H 0.1215 0.7471 0.4382 0.131 Uiso 1 1 calc R . .
H22B H 0.1938 0.7795 0.4794 0.131 Uiso 1 1 calc R . .
H22C H 0.2082 0.7716 0.4191 0.131 Uiso 1 1 calc R . .
C23 C 0.1328(10) 0.9841(3) 0.5261(5) 0.084(4) Uani 1 1 d . . .
H23A H 0.1816 1.0040 0.5176 0.126 Uiso 1 1 calc R . .
H23B H 0.1073 0.9961 0.5558 0.126 Uiso 1 1 calc R . .
H23C H 0.0775 0.9800 0.4933 0.126 Uiso 1 1 calc R . .
C24 C 0.2823(8) 0.9482(3) 0.5855(4) 0.056(3) Uani 1 1 d . . .
H24A H 0.3273 0.9641 0.5684 0.084 Uiso 1 1 calc R . .
H24B H 0.3113 0.9201 0.5978 0.084 Uiso 1 1 calc R . .
H24C H 0.2730 0.9644 0.6172 0.084 Uiso 1 1 calc R . .
C25 C -0.1301(6) 0.7877(3) 0.5590(4) 0.039(2) Uani 1 1 d . . .
C26 C -0.1433(7) 0.7462(3) 0.5349(4) 0.043(2) Uani 1 1 d . . .
C27 C -0.2021(8) 0.7176(4) 0.5556(5) 0.064(3) Uani 1 1 d . . .
H27A H -0.2127 0.6892 0.5414 0.077 Uiso 1 1 calc R . .
C28 C -0.2447(9) 0.7308(4) 0.5966(6) 0.080(4) Uani 1 1 d . . .
H28A H -0.2870 0.7114 0.6090 0.096 Uiso 1 1 calc R . .
C29 C -0.2283(7) 0.7713(4) 0.6206(5) 0.057(3) Uani 1 1 d . . .
H29A H -0.2586 0.7790 0.6491 0.068 Uiso 1 1 calc R . .
C30 C -0.1679(7) 0.8004(3) 0.6031(4) 0.044(3) Uani 1 1 d . . .
C31 C -0.0924(7) 0.7334(3) 0.4914(4) 0.047(3) Uani 1 1 d . . .
H31A H -0.0275 0.7491 0.4983 0.056 Uiso 1 1 calc R . .
C34 C -0.1444(7) 0.8434(3) 0.6312(4) 0.051(3) Uani 1 1 d . . .
H32A H -0.1017 0.8592 0.6112 0.061 Uiso 1 1 calc R . .
C32 C -0.1588(9) 0.7473(4) 0.4336(4) 0.068(3) Uani 1 1 d . . .
H33A H -0.2256 0.7348 0.4280 0.101 Uiso 1 1 calc R . .
H33B H -0.1286 0.7370 0.4049 0.101 Uiso 1 1 calc R . .
H33C H -0.1639 0.7787 0.4320 0.101 Uiso 1 1 calc R . .
C33 C -0.0714(9) 0.6851(3) 0.4911(5) 0.072(4) Uani 1 1 d . . .
H34A H -0.0283 0.6765 0.5268 0.108 Uiso 1 1 calc R . .
H34B H -0.0379 0.6786 0.4621 0.108 Uiso 1 1 calc R . .
H34C H -0.1344 0.6692 0.4840 0.108 Uiso 1 1 calc R . .
C35 C -0.2378(10) 0.8717(4) 0.6272(6) 0.110(6) Uani 1 1 d . . .
H35A H -0.2829 0.8690 0.5904 0.164 Uiso 1 1 calc R . .
H35B H -0.2174 0.9018 0.6341 0.164 Uiso 1 1 calc R . .
H35C H -0.2721 0.8622 0.6547 0.164 Uiso 1 1 calc R . .
C36 C -0.0836(12) 0.8385(4) 0.6892(5) 0.109(5) Uani 1 1 d . . .
H36A H -0.1213 0.8218 0.7101 0.163 Uiso 1 1 calc R . .
H36B H -0.0683 0.8669 0.7060 0.163 Uiso 1 1 calc R . .
H36C H -0.0214 0.8235 0.6896 0.163 Uiso 1 1 calc R . .
C37 C 0.4285(6) 0.7402(3) 0.6948(3) 0.0266(19) Uani 1 1 d . . .
C38 C 0.3565(6) 0.7052(3) 0.6938(4) 0.030(2) Uani 1 1 d . . .
C39 C 0.3913(7) 0.6242(3) 0.7248(4) 0.042(2) Uani 1 1 d . . .
H3B H 0.3239 0.6154 0.7192 0.051 Uiso 1 1 calc R . .
C40 C 0.4706(8) 0.5952(3) 0.7442(4) 0.047(3) Uani 1 1 d . . .
H4B H 0.4554 0.5666 0.7526 0.057 Uiso 1 1 calc R . .
C41 C 0.5683(8) 0.6065(3) 0.7517(4) 0.046(3) Uani 1 1 d . . .
H5B H 0.6189 0.5855 0.7637 0.056 Uiso 1 1 calc R . .
C42 C 0.6922(7) 0.6658(3) 0.7482(4) 0.049(3) Uani 1 1 d . . .
H6B H 0.7481 0.6473 0.7592 0.059 Uiso 1 1 calc R . .
C43 C 0.7067(7) 0.7091(4) 0.7388(4) 0.054(3) Uani 1 1 d . . .
H7B H 0.7728 0.7196 0.7442 0.064 Uiso 1 1 calc R . .
C44 C 0.6243(7) 0.7385(3) 0.7212(4) 0.044(3) Uani 1 1 d . . .
H8B H 0.6353 0.7680 0.7149 0.052 Uiso 1 1 calc R . .
C45 C 0.5299(6) 0.7227(3) 0.7138(4) 0.034(2) Uani 1 1 d . . .
C46 C 0.4152(6) 0.6660(3) 0.7140(4) 0.031(2) Uani 1 1 d . . .
C47 C 0.5954(7) 0.6493(3) 0.7417(4) 0.039(2) Uani 1 1 d . . .
C48 C 0.5158(6) 0.6782(3) 0.7235(3) 0.032(2) Uani 1 1 d . . .
C49 C 0.4505(6) 0.8150(3) 0.6775(4) 0.032(2) Uani 1 1 d . . .
C50 C 0.4887(6) 0.8350(3) 0.7278(4) 0.035(2) Uani 1 1 d . . .
C51 C 0.5370(7) 0.8742(3) 0.7280(4) 0.045(3) Uani 1 1 d . . .
H15B H 0.5635 0.8889 0.7617 0.054 Uiso 1 1 calc R . .
C52 C 0.5464(8) 0.8917(3) 0.6791(5) 0.057(3) Uani 1 1 d . . .
H16B H 0.5789 0.9186 0.6794 0.069 Uiso 1 1 calc R . .
C53 C 0.5097(8) 0.8710(4) 0.6303(5) 0.056(3) Uani 1 1 d . . .
H17B H 0.5183 0.8837 0.5975 0.068 Uiso 1 1 calc R . .
C54 C 0.4600(6) 0.8319(3) 0.6271(4) 0.038(2) Uani 1 1 d . . .
C55 C 0.4770(7) 0.8173(3) 0.7829(4) 0.044(2) Uani 1 1 d . . .
H19B H 0.4624 0.7859 0.7779 0.053 Uiso 1 1 calc R . .
C58 C 0.4206(7) 0.8077(3) 0.5744(4) 0.045(3) Uani 1 1 d . . .
H20B H 0.3543 0.7952 0.5744 0.054 Uiso 1 1 calc R . .
C56 C 0.5699(9) 0.8223(4) 0.8300(5) 0.087(4) Uani 1 1 d . . .
H21D H 0.6260 0.8078 0.8207 0.130 Uiso 1 1 calc R . .
H21E H 0.5582 0.8095 0.8634 0.130 Uiso 1 1 calc R . .
H21F H 0.5853 0.8529 0.8363 0.130 Uiso 1 1 calc R . .
C57 C 0.3899(9) 0.8384(4) 0.8000(5) 0.082(4) Uani 1 1 d . . .
H22D H 0.3915 0.8298 0.8377 0.124 Uiso 1 1 calc R . .
H22E H 0.3268 0.8291 0.7750 0.124 Uiso 1 1 calc R . .
H22F H 0.3956 0.8697 0.7982 0.124 Uiso 1 1 calc R . .
C59 C 0.4931(9) 0.7700(4) 0.5699(5) 0.074(4) Uani 1 1 d . . .
H23D H 0.5555 0.7819 0.5648 0.111 Uiso 1 1 calc R . .
H23E H 0.4619 0.7518 0.5384 0.111 Uiso 1 1 calc R . .
H23F H 0.5072 0.7529 0.6037 0.111 Uiso 1 1 calc R . .
C60 C 0.4077(8) 0.8366(4) 0.5232(4) 0.065(3) Uani 1 1 d . . .
H24D H 0.3732 0.8631 0.5285 0.097 Uiso 1 1 calc R . .
H24E H 0.3683 0.8214 0.4907 0.097 Uiso 1 1 calc R . .
H24F H 0.4734 0.8437 0.5179 0.097 Uiso 1 1 calc R . .
C61 C 0.1889(6) 0.6823(2) 0.6626(4) 0.031(2) Uani 1 1 d . . .
C62 C 0.1196(7) 0.6813(3) 0.6946(4) 0.042(2) Uani 1 1 d . . .
C63 C 0.0463(7) 0.6488(3) 0.6819(5) 0.049(3) Uani 1 1 d . . .
H27B H -0.0014 0.6463 0.7029 0.059 Uiso 1 1 calc R . .
C64 C 0.0436(9) 0.6204(4) 0.6390(6) 0.067(4) Uani 1 1 d . . .
H28B H -0.0061 0.5987 0.6309 0.080 Uiso 1 1 calc R . .
C65 C 0.1114(8) 0.6232(3) 0.6082(5) 0.054(3) Uani 1 1 d . . .
H29B H 0.1072 0.6035 0.5788 0.065 Uiso 1 1 calc R . .
C66 C 0.1867(7) 0.6543(3) 0.6190(4) 0.041(2) Uani 1 1 d . . .
C67 C 0.1230(8) 0.7125(3) 0.7410(4) 0.048(3) Uani 1 1 d . . .
H31B H 0.1567 0.7392 0.7331 0.058 Uiso 1 1 calc R . .
C70 C 0.2575(8) 0.6588(3) 0.5815(4) 0.051(3) Uani 1 1 d . . .
H32B H 0.3168 0.6756 0.6023 0.062 Uiso 1 1 calc R . .
C68 C 0.1848(11) 0.6942(5) 0.7946(5) 0.100(5) Uani 1 1 d . . .
H33D H 0.1484 0.6706 0.8063 0.150 Uiso 1 1 calc R . .
H33E H 0.1978 0.7168 0.8228 0.150 Uiso 1 1 calc R . .
H33F H 0.2482 0.6835 0.7895 0.150 Uiso 1 1 calc R . .
C69 C 0.0171(9) 0.7248(4) 0.7439(6) 0.087(4) Uani 1 1 d . . .
H34D H -0.0137 0.7433 0.7126 0.131 Uiso 1 1 calc R . .
H34E H 0.0207 0.7402 0.7783 0.131 Uiso 1 1 calc R . .
H34F H -0.0230 0.6987 0.7426 0.131 Uiso 1 1 calc R . .
C71 C 0.2103(10) 0.6836(4) 0.5308(5) 0.078(4) Uani 1 1 d . . .
H35D H 0.1497 0.6688 0.5104 0.117 Uiso 1 1 calc R . .
H35E H 0.2571 0.6858 0.5077 0.117 Uiso 1 1 calc R . .
H35F H 0.1932 0.7124 0.5410 0.117 Uiso 1 1 calc R . .
C72 C 0.2950(12) 0.6156(4) 0.5677(6) 0.111(6) Uani 1 1 d . . .
H36D H 0.2381 0.5968 0.5520 0.166 Uiso 1 1 calc R . .
H36E H 0.3367 0.6024 0.6012 0.166 Uiso 1 1 calc R . .
H36F H 0.3345 0.6195 0.5409 0.166 Uiso 1 1 calc R . .
C21T C 0.4061(11) 0.9622(5) 0.9543(7) 0.089(4) Uani 1 1 d . . .
C22T C 0.4096(14) 0.9347(5) 0.9963(8) 0.114(6) Uani 1 1 d . . .
H22T H 0.4597 0.9131 1.0039 0.136 Uiso 1 1 calc R . .
C23T C 0.3373(15) 0.9370(6) 1.0312(8) 0.120(7) Uani 1 1 d . . .
H23T H 0.3390 0.9172 1.0602 0.144 Uiso 1 1 calc R . .
C24T C 0.2684(13) 0.9694(6) 1.0187(7) 0.109(5) Uani 1 1 d . . .
H24T H 0.2203 0.9724 1.0393 0.130 Uiso 1 1 calc R . .
C25T C 0.2677(10) 0.9983(4) 0.9760(7) 0.087(4) Uani 1 1 d . . .
H25T H 0.2193 1.0206 0.9683 0.105 Uiso 1 1 calc R . .
C26T C 0.3372(10) 0.9951(4) 0.9441(5) 0.068(3) Uani 1 1 d . . .
H26T H 0.3366 1.0154 0.9158 0.082 Uiso 1 1 calc R . .
C27T C 0.4810(12) 0.9538(7) 0.9226(7) 0.164(9) Uani 1 1 d . . .
H27C H 0.5381 0.9732 0.9354 0.245 Uiso 1 1 calc R . .
H27D H 0.4507 0.9589 0.8834 0.245 Uiso 1 1 calc R . .
H27E H 0.5037 0.9240 0.9281 0.245 Uiso 1 1 calc R . .
C1T C 0.5476(12) 0.5423(5) 0.5903(7) 0.093(5) Uani 1 1 d . . .
C2T C 0.6222(13) 0.5704(7) 0.6225(6) 0.119(6) Uani 1 1 d . . .
H2T H 0.6562 0.5606 0.6582 0.142 Uiso 1 1 calc R . .
C3T C 0.650(2) 0.6109(8) 0.6068(8) 0.203(16) Uani 1 1 d . . .
H3T H 0.6954 0.6289 0.6318 0.244 Uiso 1 1 calc R . .
C4T C 0.6120(18) 0.6220(7) 0.5577(13) 0.177(11) Uani 1 1 d . . .
H4T H 0.6309 0.6490 0.5460 0.213 Uiso 1 1 calc R . .
C5T C 0.5377(13) 0.5950(6) 0.5158(8) 0.120(6) Uani 1 1 d . . .
H5T H 0.5129 0.6037 0.4786 0.144 Uiso 1 1 calc R . .
C6T C 0.5078(10) 0.5557(5) 0.5361(7) 0.094(5) Uani 1 1 d . . .
H6T H 0.4594 0.5382 0.5121 0.113 Uiso 1 1 calc R . .
C7T C 0.5135(12) 0.5019(4) 0.6088(6) 0.115(6) Uani 1 1 d . . .
H7T1 H 0.4609 0.5077 0.6273 0.172 Uiso 1 1 calc R . .
H7T2 H 0.5696 0.4876 0.6345 0.172 Uiso 1 1 calc R . .
H7T3 H 0.4873 0.4832 0.5770 0.172 Uiso 1 1 calc R . .
C11T C 0.8047(17) 0.8922(6) 0.8386(7) 0.179(9) Uiso 1 1 d D . .
C12T C 0.7795(14) 0.8974(5) 0.8900(6) 0.150(7) Uiso 1 1 d D . .
H12T H 0.7976 0.8766 0.9185 0.226 Uiso 1 1 calc R . .
C13T C 0.7281(14) 0.9337(6) 0.8956(6) 0.160(8) Uiso 1 1 d D . .
H13T H 0.7146 0.9388 0.9302 0.240 Uiso 1 1 calc R . .
C14T C 0.6943(15) 0.9636(5) 0.8543(7) 0.173(8) Uiso 1 1 d D . .
H14T H 0.6554 0.9875 0.8598 0.259 Uiso 1 1 calc R . .
C15T C 0.7184(13) 0.9580(5) 0.8046(7) 0.146(7) Uiso 1 1 d D . .
H15T H 0.6990 0.9784 0.7758 0.220 Uiso 1 1 calc R . .
C16T C 0.7721(13) 0.9211(5) 0.7982(6) 0.141(7) Uiso 1 1 d D . .
H16T H 0.7861 0.9162 0.7637 0.212 Uiso 1 1 calc R . .
C17T C 0.855(3) 0.8579(12) 0.8342(11) 0.316(18) Uiso 1 1 d D . .
H17C H 0.9260 0.8625 0.8548 0.474 Uiso 1 1 d . . .
H17D H 0.8508 0.8517 0.7965 0.474 Uiso 1 1 d . . .
H17E H 0.8296 0.8335 0.8519 0.474 Uiso 1 1 d . . .
C31T C 0.5209(19) 0.9982(8) 0.5263(9) 0.067(7) Uiso 0.50 1 d P . .
C32T C 0.4670(10) 1.0265(4) 0.5278(6) 0.078(4) Uiso 1 1 d . . .
C33T C 0.395(2) 1.0447(8) 0.4820(11) 0.079(8) Uiso 0.50 1 d P . .
C34T C 0.3980(12) 1.0245(5) 0.4269(6) 0.104(5) Uiso 1 1 d . . .
C35T C 0.463(2) 0.9940(8) 0.4276(11) 0.076(7) Uiso 0.50 1 d P . .
Cl1 Cl 0.8548(12) 0.7534(6) 0.8569(7) 0.242(7) Uani 0.50 1 d P . .
Cl2 Cl 1.0406(8) 0.7389(3) 0.9244(5) 0.148(4) Uani 0.50 1 d P . .
C1M C 0.941(2) 0.7176(10) 0.8766(11) 0.105(11) Uani 0.50 1 d P . .
H1M1 H 0.9637 0.7073 0.8445 0.158 Uiso 0.50 1 calc PR . .
H1M2 H 0.9146 0.6927 0.8927 0.158 Uiso 0.50 1 calc PR . .
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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
O1 Au1 P1 176.24(15) . . ?
O1 Au1 Pt1 41.15(15) . . ?
P1 Au1 Pt1 140.91(6) . . ?
O1 Au1 Pt2 38.06(14) . . ?
P1 Au1 Pt2 144.69(6) . . ?
Pt1 Au1 Pt2 56.626(10) . . ?
O2 Pt1 N2 97.8(3) . . ?
O2 Pt1 N1 174.4(2) . . ?
N2 Pt1 N1 79.3(3) . . ?
O2 Pt1 O1 80.4(2) . . ?
N2 Pt1 O1 170.6(2) . . ?
N1 Pt1 O1 103.3(2) . . ?
O2 Pt1 Au1 78.62(16) . . ?
N2 Pt1 Au1 128.6(2) . . ?
N1 Pt1 Au1 106.96(18) . . ?
O1 Pt1 Au1 41.97(15) . . ?
C85 P1 C79 106.8(4) . . ?
C85 P1 C73 104.2(4) . . ?
C79 P1 C73 106.3(4) . . ?
C85 P1 Au1 112.2(3) . . ?
C79 P1 Au1 114.2(3) . . ?
C73 P1 Au1 112.6(3) . . ?
Pt1 O1 Pt2 94.3(2) . . ?
Pt1 O1 Au1 96.9(2) . . ?
Pt2 O1 Au1 103.2(2) . . ?
C1 N1 C13 118.0(7) . . ?
C1 N1 Pt1 113.3(6) . . ?
C13 N1 Pt1 127.0(5) . . ?
C78 C73 C74 118.1(8) . . ?
C78 C73 P1 118.8(7) . . ?
C74 C73 P1 123.0(7) . . ?
F4 B1 F3 118.1(15) . . ?
F4 B1 F1 114.2(16) . . ?
F3 B1 F1 113.6(14) . . ?
F4 B1 F2 101.0(13) . . ?
F3 B1 F2 103.6(14) . . ?
F1 B1 F2 103.5(14) . . ?
O2 Pt2 N4 101.4(2) . . ?
O2 Pt2 N3 175.1(2) . . ?
N4 Pt2 N3 80.1(3) . . ?
O2 Pt2 O1 80.1(2) . . ?
N4 Pt2 O1 172.3(2) . . ?
N3 Pt2 O1 99.1(2) . . ?
O2 Pt2 Au1 74.76(16) . . ?
N4 Pt2 Au1 149.0(2) . . ?
N3 Pt2 Au1 101.51(18) . . ?
O1 Pt2 Au1 38.75(15) . . ?
Pt1 O2 Pt2 97.8(2) . . ?
C2 N2 C25 120.5(7) . . ?
C2 N2 Pt1 115.2(6) . . ?
C25 N2 Pt1 123.9(5) . . ?
C73 C74 C75 120.8(9) . . ?
C37 N3 C49 122.4(7) . . ?
C37 N3 Pt2 114.3(5) . . ?
C49 N3 Pt2 123.1(5) . . ?
C76 C75 C74 121.1(9) . . ?
C38 N4 C61 119.0(7) . . ?
C38 N4 Pt2 114.8(6) . . ?
C61 N4 Pt2 124.6(5) . . ?
C75 C76 C77 119.1(9) . . ?
C76 C77 C78 118.7(10) . . ?
C73 C78 C77 122.1(10) . . ?
C80 C79 C84 118.7(8) . . ?
C80 C79 P1 122.9(7) . . ?
C84 C79 P1 118.4(7) . . ?
C81 C80 C79 119.9(9) . . ?
C80 C81 C82 121.4(10) . . ?
C83 C82 C81 118.5(10) . . ?
C84 C83 C82 122.3(10) . . ?
C83 C84 C79 119.2(9) . . ?
C90 C85 C86 118.7(8) . . ?
C90 C85 P1 119.2(6) . . ?
C86 C85 P1 122.0(6) . . ?
C87 C86 C85 119.7(9) . . ?
C86 C87 C88 119.8(8) . . ?
C89 C88 C87 120.2(8) . . ?
C88 C89 C90 120.8(9) . . ?
C89 C90 C85 120.8(8) . . ?
N1 C1 C2 116.9(8) . . ?
N1 C1 C9 135.8(9) . . ?
C2 C1 C9 107.0(8) . . ?
N2 C2 C1 113.8(8) . . ?
N2 C2 C10 137.2(9) . . ?
C1 C2 C10 108.6(8) . . ?
C10 C3 C4 117.2(12) . . ?
C5 C4 C3 123.1(13) . . ?
C4 C5 C11 120.4(11) . . ?
C7 C6 C11 123.4(11) . . ?
C6 C7 C8 122.5(12) . . ?
C9 C8 C7 117.2(12) . . ?
C8 C9 C12 119.9(10) . . ?
C8 C9 C1 135.5(11) . . ?
C12 C9 C1 104.6(9) . . ?
C3 C10 C12 120.5(9) . . ?
C3 C10 C2 134.8(10) . . ?
C12 C10 C2 104.7(9) . . ?
C5 C11 C6 129.6(12) . . ?
C5 C11 C12 116.6(11) . . ?
C6 C11 C12 113.6(12) . . ?
C10 C12 C9 114.7(9) . . ?
C10 C12 C11 122.0(11) . . ?
C9 C12 C11 123.2(11) . . ?
C14 C13 C18 122.2(8) . . ?
C14 C13 N1 117.1(8) . . ?
C18 C13 N1 120.7(7) . . ?
C15 C14 C13 117.2(9) . . ?
C15 C14 C19 120.6(9) . . ?
C13 C14 C19 122.1(8) . . ?
C16 C15 C14 122.4(9) . . ?
C17 C16 C15 119.5(9) . . ?
C16 C17 C18 121.6(9) . . ?
C13 C18 C17 117.1(8) . . ?
C13 C18 C22 122.8(8) . . ?
C17 C18 C22 120.2(8) . . ?
C20 C19 C21 111.5(9) . . ?
C20 C19 C14 113.9(8) . . ?
C21 C19 C14 110.0(9) . . ?
C23 C22 C18 111.3(8) . . ?
C23 C22 C24 111.1(9) . . ?
C18 C22 C24 112.4(8) . . ?
C30 C25 C26 124.2(9) . . ?
C30 C25 N2 118.1(9) . . ?
C26 C25 N2 117.6(8) . . ?
C27 C26 C25 116.4(9) . . ?
C27 C26 C31 122.2(9) . . ?
C25 C26 C31 121.3(8) . . ?
C28 C27 C26 119.6(11) . . ?
C27 C28 C29 122.8(11) . . ?
C30 C29 C28 120.0(10) . . ?
C29 C30 C25 116.7(10) . . ?
C29 C30 C34 120.4(9) . . ?
C25 C30 C34 122.8(9) . . ?
C26 C31 C33 113.0(8) . . ?
C26 C31 C32 109.2(9) . . ?
C33 C31 C32 109.4(8) . . ?
C36 C34 C30 111.4(9) . . ?
C36 C34 C35 112.0(10) . . ?
C30 C34 C35 113.5(9) . . ?
N3 C37 C45 135.3(8) . . ?
N3 C37 C38 115.8(7) . . ?
C45 C37 C38 108.6(7) . . ?
N4 C38 C37 115.0(7) . . ?
N4 C38 C46 137.9(8) . . ?
C37 C38 C46 107.0(7) . . ?
C46 C39 C40 117.7(9) . . ?
C41 C40 C39 122.8(9) . . ?
C40 C41 C47 121.0(9) . . ?
C43 C42 C47 120.7(9) . . ?
C42 C43 C44 121.9(9) . . ?
C45 C44 C43 118.0(9) . . ?
C44 C45 C48 119.7(8) . . ?
C44 C45 C37 135.6(8) . . ?
C48 C45 C37 104.7(7) . . ?
C39 C46 C48 119.8(8) . . ?
C39 C46 C38 134.5(8) . . ?
C48 C46 C38 105.7(7) . . ?
C48 C47 C42 116.7(9) . . ?
C48 C47 C41 115.7(9) . . ?
C42 C47 C41 127.5(9) . . ?
C46 C48 C47 123.1(8) . . ?
C46 C48 C45 113.9(7) . . ?
C47 C48 C45 123.0(8) . . ?
C50 C49 C54 123.4(8) . . ?
C50 C49 N3 119.0(8) . . ?
C54 C49 N3 117.3(8) . . ?
C49 C50 C51 117.8(8) . . ?
C49 C50 C55 123.9(8) . . ?
C51 C50 C55 118.3(9) . . ?
C52 C51 C50 119.9(10) . . ?
C53 C52 C51 121.0(10) . . ?
C52 C53 C54 122.1(10) . . ?
C53 C54 C49 115.7(9) . . ?
C53 C54 C58 123.5(9) . . ?
C49 C54 C58 120.7(8) . . ?
C56 C55 C57 108.0(10) . . ?
C56 C55 C50 113.7(8) . . ?
C57 C55 C50 112.0(8) . . ?
C54 C58 C60 112.5(9) . . ?
C54 C58 C59 110.2(8) . . ?
C60 C58 C59 108.4(8) . . ?
C66 C61 C62 123.9(9) . . ?
C66 C61 N4 119.1(8) . . ?
C62 C61 N4 116.9(8) . . ?
C61 C62 C63 116.5(9) . . ?
C61 C62 C67 122.7(8) . . ?
C63 C62 C67 120.8(9) . . ?
C64 C63 C62 120.3(10) . . ?
C65 C64 C63 121.2(10) . . ?
C64 C65 C66 121.5(10) . . ?
C61 C66 C65 116.7(10) . . ?
C61 C66 C70 122.6(8) . . ?
C65 C66 C70 120.5(9) . . ?
C62 C67 C68 110.3(9) . . ?
C62 C67 C69 111.0(9) . . ?
C68 C67 C69 112.4(10) . . ?
C71 C70 C72 111.3(10) . . ?
C71 C70 C66 111.4(9) . . ?
C72 C70 C66 111.9(9) . . ?
C22T C21T C26T 120.0(16) . . ?
C22T C21T C27T 114.8(18) . . ?
C26T C21T C27T 125.2(17) . . ?
C21T C22T C23T 122.3(16) . . ?
C24T C23T C22T 115.8(16) . . ?
C23T C24T C25T 121.1(17) . . ?
C24T C25T C26T 121.4(14) . . ?
C21T C26T C25T 119.4(13) . . ?
C6T C1T C2T 114.7(16) . . ?
C6T C1T C7T 119.3(16) . . ?
C2T C1T C7T 126.0(17) . . ?
C3T C2T C1T 126.7(18) . . ?
C4T C3T C2T 116(2) . . ?
C3T C4T C5T 124(2) . . ?
C6T C5T C4T 115.6(18) . . ?
C1T C6T C5T 121.8(17) . . ?
C17T C11T C16T 124.6(12) . . ?
C17T C11T C12T 115.7(11) . . ?
C16T C11T C12T 119.6(10) . . ?
C13T C12T C11T 116.3(9) . . ?
C12T C13T C14T 124.3(10) . . ?
C13T C14T C15T 118.6(9) . . ?
C14T C15T C16T 117.8(9) . . ?
C11T C16T C15T 123.1(10) . . ?
C35T C31T C32T 77(2) 3_676 . ?
C35T C31T C31T 158(4) 3_676 3_676 ?
C32T C31T C31T 81(2) . 3_676 ?
C35T C31T C34T 54.5(17) 3_676 3_676 ?
C32T C31T C34T 131(2) . 3_676 ?
C31T C31T C34T 148(3) 3_676 3_676 ?
C35T C31T C32T 157(3) 3_676 3_676 ?
C32T C31T C32T 127(2) . 3_676 ?
C31T C31T C32T 45.5(17) 3_676 3_676 ?
C34T C31T C32T 102.1(18) 3_676 3_676 ?
C35T C31T C33T 108(2) 3_676 3_676 ?
C32T C31T C33T 175(2) . 3_676 ?
C31T C31T C33T 94(3) 3_676 3_676 ?
C34T C31T C33T 53.1(13) 3_676 3_676 ?
C32T C31T C33T 49.0(12) 3_676 3_676 ?
C31T C32T C35T 51.3(15) . 3_676 ?
C31T C32T C33T 126(2) . . ?
C35T C32T C33T 176.9(19) 3_676 . ?
C31T C32T C31T 53(2) . 3_676 ?
C35T C32T C31T 104.5(19) 3_676 3_676 ?
C33T C32T C31T 73.4(15) . 3_676 ?
C32T C33T C34T 112.6(19) . . ?
C32T C33T C31T 57.7(13) . 3_676 ?
C34T C33T C31T 55.0(12) . 3_676 ?
C35T C34T C33T 118(2) . . ?
C35T C34T C31T 45.9(14) . 3_676 ?
C33T C34T C31T 71.9(16) . 3_676 ?
C31T C35T C34T 80(2) 3_676 . ?
C31T C35T C32T 52.1(18) 3_676 3_676 ?
C34T C35T C32T 132(2) . 3_676 ?
Cl1 C1M Cl2 110(2) . . ?
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
Au1 O1 2.054(5) . ?
Au1 P1 2.218(2) . ?
Au1 Pt1 3.0494(5) . ?
Au1 Pt2 3.1949(5) . ?
Pt1 O2 1.961(5) . ?
Pt1 N2 1.993(7) . ?
Pt1 N1 2.018(6) . ?
Pt1 O1 2.021(5) . ?
P1 C85 1.815(9) . ?
P1 C79 1.818(9) . ?
P1 C73 1.825(9) . ?
F1 B1 1.337(19) . ?
O1 Pt2 2.023(5) . ?
N1 C1 1.301(10) . ?
N1 C13 1.461(10) . ?
C73 C78 1.369(12) . ?
C73 C74 1.383(12) . ?
B1 F4 1.302(18) . ?
B1 F3 1.319(17) . ?
B1 F2 1.483(19) . ?
Pt2 O2 1.972(5) . ?
Pt2 N4 2.007(6) . ?
Pt2 N3 2.009(6) . ?
N2 C2 1.306(10) . ?
N2 C25 1.461(10) . ?
C74 C75 1.386(12) . ?
N3 C37 1.294(9) . ?
N3 C49 1.445(10) . ?
C75 C76 1.378(14) . ?
N4 C38 1.293(10) . ?
N4 C61 1.450(10) . ?
C76 C77 1.391(14) . ?
C77 C78 1.409(14) . ?
C79 C80 1.397(12) . ?
C79 C84 1.399(11) . ?
C80 C81 1.367(13) . ?
C81 C82 1.369(13) . ?
C82 C83 1.368(14) . ?
C83 C84 1.365(13) . ?
C85 C90 1.393(12) . ?
C85 C86 1.414(11) . ?
C86 C87 1.392(12) . ?
C87 C88 1.405(13) . ?
C88 C89 1.360(12) . ?
C89 C90 1.381(12) . ?
C1 C2 1.442(12) . ?
C1 C9 1.478(12) . ?
C2 C10 1.466(12) . ?
C3 C10 1.380(14) . ?
C3 C4 1.414(15) . ?
C4 C5 1.363(17) . ?
C5 C11 1.396(17) . ?
C6 C7 1.326(17) . ?
C6 C11 1.426(16) . ?
C7 C8 1.417(14) . ?
C8 C9 1.392(13) . ?
C9 C12 1.400(14) . ?
C10 C12 1.385(13) . ?
C11 C12 1.428(13) . ?
C13 C14 1.395(11) . ?
C13 C18 1.402(12) . ?
C14 C15 1.385(13) . ?
C14 C19 1.527(12) . ?
C15 C16 1.382(13) . ?
C16 C17 1.355(12) . ?
C17 C18 1.417(12) . ?
C18 C22 1.514(12) . ?
C19 C20 1.508(13) . ?
C19 C21 1.515(14) . ?
C22 C23 1.485(13) . ?
C22 C24 1.532(13) . ?
C25 C30 1.401(13) . ?
C25 C26 1.418(13) . ?
C26 C27 1.395(13) . ?
C26 C31 1.503(13) . ?
C27 C28 1.378(16) . ?
C28 C29 1.392(15) . ?
C29 C30 1.380(13) . ?
C30 C34 1.511(13) . ?
C31 C33 1.532(13) . ?
C31 C32 1.567(14) . ?
C34 C36 1.493(15) . ?
C34 C35 1.548(15) . ?
C37 C45 1.469(11) . ?
C37 C38 1.474(11) . ?
C38 C46 1.483(11) . ?
C39 C46 1.387(11) . ?
C39 C40 1.409(12) . ?
C40 C41 1.367(13) . ?
C41 C47 1.423(13) . ?
C42 C43 1.390(13) . ?
C42 C47 1.408(13) . ?
C43 C44 1.443(12) . ?
C44 C45 1.366(12) . ?
C45 C48 1.430(11) . ?
C46 C48 1.406(12) . ?
C47 C48 1.406(11) . ?
C49 C50 1.388(12) . ?
C49 C54 1.410(12) . ?
C50 C51 1.390(11) . ?
C50 C55 1.538(12) . ?
C51 C52 1.384(14) . ?
C52 C53 1.362(15) . ?
C53 C54 1.390(13) . ?
C54 C58 1.501(13) . ?
C55 C56 1.517(14) . ?
C55 C57 1.532(13) . ?
C58 C60 1.543(12) . ?
C58 C59 1.568(13) . ?
C61 C66 1.392(12) . ?
C61 C62 1.407(12) . ?
C62 C63 1.412(13) . ?
C62 C67 1.509(13) . ?
C63 C64 1.388(15) . ?
C64 C65 1.366(15) . ?
C65 C66 1.400(13) . ?
C66 C70 1.534(14) . ?
C67 C68 1.510(15) . ?
C67 C69 1.538(14) . ?
C70 C71 1.489(14) . ?
C70 C72 1.517(14) . ?
C21T C22T 1.35(2) . ?
C21T C26T 1.378(17) . ?
C21T C27T 1.489(19) . ?
C22T C23T 1.50(2) . ?
C23T C24T 1.37(2) . ?
C24T C25T 1.400(19) . ?
C25T C26T 1.409(17) . ?
C1T C6T 1.394(19) . ?
C1T C2T 1.43(2) . ?
C1T C7T 1.463(18) . ?
C2T C3T 1.41(2) . ?
C3T C4T 1.26(3) . ?
C4T C5T 1.52(3) . ?
C5T C6T 1.428(19) . ?
C11T C17T 1.30(4) . ?
C11T C16T 1.345(13) . ?
C11T C12T 1.432(13) . ?
C12T C13T 1.365(12) . ?
C13T C14T 1.384(13) . ?
C14T C15T 1.387(13) . ?
C15T C16T 1.401(12) . ?
C31T C35T 1.15(3) 3_676 ?
C31T C32T 1.16(3) . ?
C31T C31T 1.30(5) 3_676 ?
C31T C34T 1.57(3) 3_676 ?
C31T C32T 1.61(3) 3_676 ?
C31T C33T 1.83(4) 3_676 ?
C32T C35T 1.43(3) 3_676 ?
C32T C33T 1.44(3) . ?
C32T C31T 1.61(3) 3_676 ?
C33T C34T 1.54(3) . ?
C33T C31T 1.83(4) 3_676 ?
C34T C35T 1.30(3) . ?
C34T C31T 1.57(3) 3_676 ?
C35T C31T 1.15(3) 3_676 ?
C35T C32T 1.43(3) 3_676 ?
Cl1 C1M 1.62(3) . ?
Cl2 C1M 1.71(3) . ?
