#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:42:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179803 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/99/7009918.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_7009918
loop_
_publ_author_name
'Brammer, Lee'
'Rivas, Juan C. Mareque'
'Atencio, Reinaldo'
'Fang, Shiyue'
'Pigge, F. Christopher'
_publ_section_title
;
 Combining hydrogen bonds with coordination chemistry or organometallic
 π-arene chemistry: strategies for inorganic crystal
 engineering †
;
_journal_issue                   21
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3855
_journal_paper_doi               10.1039/b004395h
_journal_year                    2000
_chemical_compound_source        synthesis
_chemical_formula_sum            'C24 H24 F12 N8 O4 P2 Pt'
_chemical_formula_weight         973.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 98.43(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   8.888(3)
_cell_length_b                   32.843(11)
_cell_length_c                   16.711(4)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    203(5)
_cell_measurement_theta_max      23.00
_cell_measurement_theta_min      1.24
_cell_volume                     4825(3)
_computing_cell_refinement       'SMART (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'SMART (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  'SHELXTL (Siemens, 1994)'
_computing_structure_refinement  'SHELXTL (Siemens, 1994)'
_computing_structure_solution    'SHELXTL (Siemens, 1994)'
_diffrn_ambient_temperature      203(5)
_diffrn_measurement_device       'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1969
_diffrn_reflns_av_sigmaI/netI    0.1009
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            53008
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    4.578
_exptl_absorpt_correction_T_max  0.4933
_exptl_absorpt_correction_T_min  0.3732
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
  Absorption correction was based upon symmetry equivalent 
 and repeated intensity measurements using the program SADABS 
 (Sheldrick, 1995) which is based upon the method of Blessing 
 (Blessing, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.010
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.824
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.164
_refine_ls_goodness_of_fit_obs   1.288
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         6709
_refine_ls_number_restraints     304
_refine_ls_restrained_S_all      1.157
_refine_ls_restrained_S_obs      1.265
_refine_ls_R_factor_all          0.1345
_refine_ls_R_factor_obs          0.0829
_refine_ls_shift/esd_max         -0.097
_refine_ls_shift/esd_mean        0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2071
_refine_ls_wR_factor_obs         0.1815
_reflns_number_observed          4435
_reflns_number_total             6724
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b004395h.txt
_cod_data_source_block           l7298sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^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^)+(0.1000P)^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_original_cell_volume        4825.6(24)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7009918
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Pt1 Pt 0.94704(8) 0.16943(2) 0.49010(4) 0.0317(3) Uani 1 d . .
Pt2 Pt 0.0000 0.0000 0.0000 0.0312(3) Uani 1 d S .
N1 N 0.7566(18) 0.2034(4) 0.4687(8) 0.039(4) Uani 1 d . .
C2 C 0.6194(20) 0.1842(7) 0.4473(11) 0.049(5) Uani 1 d . .
H2 H 0.6127(20) 0.1559(7) 0.4394(11) 0.058 Uiso 1 calc R .
C3 C 0.4901(20) 0.2090(6) 0.4377(10) 0.039(5) Uani 1 d . .
H3 H 0.3945(20) 0.1966(6) 0.4237(10) 0.047 Uiso 1 calc R .
C4 C 0.4959(22) 0.2503(6) 0.4479(11) 0.042(5) Uani 1 d . .
C5 C 0.6362(20) 0.2678(6) 0.4639(11) 0.041(5) Uani 1 d . .
H5 H 0.6446(20) 0.2963(6) 0.4671(11) 0.050 Uiso 1 calc R .
C6 C 0.7646(18) 0.2446(6) 0.4752(10) 0.041(5) Uani 1 d . .
H6 H 0.8600(18) 0.2572(6) 0.4877(10) 0.049 Uiso 1 calc R .
C7 C 0.3487(23) 0.2726(6) 0.4418(11) 0.044(5) Uani 1 d . .
O1 O 0.2392(15) 0.2587(4) 0.4685(9) 0.060(4) Uani 1 d . .
N2 N 0.3463(19) 0.3100(6) 0.4053(10) 0.061(5) Uani 1 d . .
H1N H 0.2643(19) 0.3248(6) 0.4005(10) 0.073 Uiso 1 calc R .
H2N H 0.4268(19) 0.3189(6) 0.3869(10) 0.073 Uiso 1 calc R .
N11 N 0.9648(14) 0.1715(4) 0.3718(8) 0.029(3) Uani 1 d . .
C12 C 1.0579(20) 0.1997(6) 0.3447(13) 0.051(6) Uani 1 d . .
H12 H 1.1112(20) 0.2177(6) 0.3822(13) 0.061 Uiso 1 calc R .
C13 C 1.0775(22) 0.2029(6) 0.2652(11) 0.048(5) Uani 1 d . .
H13 H 1.1450(22) 0.2223(6) 0.2495(11) 0.058 Uiso 1 calc R .
C14 C 0.9994(20) 0.1780(6) 0.2093(11) 0.038(5) Uani 1 d . .
C15 C 0.9046(22) 0.1483(6) 0.2390(12) 0.053(6) Uani 1 d . .
H15 H 0.8516(22) 0.1297(6) 0.2024(12) 0.064 Uiso 1 calc R .
C16 C 0.8886(24) 0.1459(6) 0.3165(11) 0.049(5) Uani 1 d . .
H16 H 0.8232(24) 0.1262(6) 0.3333(11) 0.059 Uiso 1 calc R .
C17 C 1.0042(26) 0.1816(6) 0.1196(12) 0.050(6) Uani 1 d . .
O11 O 0.8882(15) 0.1743(4) 0.0718(8) 0.051(4) Uani 1 d . .
N12 N 1.1287(18) 0.1984(5) 0.0990(10) 0.061(5) Uani 1 d . .
H3N H 1.1319(18) 0.2051(5) 0.0489(10) 0.073 Uiso 1 calc R .
H4N H 1.2071(18) 0.2029(5) 0.1357(10) 0.073 Uiso 1 calc R .
N21 N 1.1350(13) 0.1347(4) 0.5117(7) 0.020(3) Uani 1 d U .
C22 C 1.2668(17) 0.1467(5) 0.5550(9) 0.024(3) Uani 1 d U .
H22 H 1.2767(17) 0.1742(5) 0.5703(9) 0.029 Uiso 1 calc R .
C23 C 1.3838(18) 0.1222(5) 0.5777(10) 0.031(3) Uani 1 d U .
H23 H 1.4751(18) 0.1328(5) 0.6054(10) 0.037 Uiso 1 calc R .
C24 C 1.3707(17) 0.0800(5) 0.5599(10) 0.029(3) Uani 1 d U .
C25 C 1.2404(17) 0.0666(5) 0.5142(9) 0.029(3) Uani 1 d U .
H25 H 1.2279(17) 0.0392(5) 0.4990(9) 0.035 Uiso 1 calc R .
C26 C 1.1216(18) 0.0963(5) 0.4901(10) 0.030(3) Uani 1 d U .
H26 H 1.0317(18) 0.0877(5) 0.4577(10) 0.035 Uiso 1 calc R .
C27 C 1.4950(19) 0.0509(6) 0.5887(10) 0.033(4) Uani 1 d . .
O21 O 1.6292(14) 0.0636(4) 0.5966(8) 0.048(3) Uani 1 d . .
N22 N 1.4597(16) 0.0125(5) 0.6022(9) 0.046(4) Uani 1 d . .
H5N H 1.5313(16) -0.0051(5) 0.6174(9) 0.056 Uiso 1 calc R .
H6N H 1.3649(16) 0.0049(5) 0.5960(9) 0.056 Uiso 1 calc R .
N31 N 0.9271(14) 0.1670(4) 0.6097(8) 0.027(3) Uani 1 d . .
C32 C 1.0207(22) 0.1882(6) 0.6648(11) 0.048(5) Uani 1 d . .
H32 H 1.0928(22) 0.2058(6) 0.6472(11) 0.057 Uiso 1 calc R .
C33 C 1.0141(21) 0.1850(6) 0.7450(11) 0.045(5) Uani 1 d . .
H33 H 1.0767(21) 0.2016(6) 0.7817(11) 0.054 Uiso 1 calc R .
C34 C 0.9169(18) 0.1577(5) 0.7734(11) 0.038(5) Uani 1 d . .
C35 C 0.8182(18) 0.1378(5) 0.7170(10) 0.031(4) Uani 1 d . .
H35 H 0.7412(18) 0.1214(5) 0.7332(10) 0.037 Uiso 1 calc R .
C36 C 0.8308(19) 0.1416(6) 0.6366(10) 0.041(5) Uani 1 d . .
H36 H 0.7682(19) 0.1254(6) 0.5990(10) 0.049 Uiso 1 calc R .
C37 C 0.9197(21) 0.1509(6) 0.8641(12) 0.045(5) Uani 1 d . .
O31 O 1.0366(16) 0.1610(4) 0.9096(8) 0.063(4) Uani 1 d . .
N32 N 0.8069(16) 0.1348(5) 0.8897(9) 0.044(4) Uani 1 d . .
H7N H 0.8094(16) 0.1303(5) 0.9411(9) 0.053 Uiso 1 calc R .
H8N H 0.7268(16) 0.1281(5) 0.8558(9) 0.053 Uiso 1 calc R .
N41 N -0.0059(15) -0.0032(4) 0.1192(9) 0.036(3) Uani 1 d U .
C42 C 0.0879(20) -0.0270(5) 0.1683(10) 0.039(3) Uani 1 d U .
H42 H 0.1532(20) -0.0443(5) 0.1448(10) 0.047 Uiso 1 calc R .
C43 C 0.0953(19) -0.0277(5) 0.2499(10) 0.037(3) Uani 1 d U .
H43A H 0.1682(19) -0.0436(5) 0.2825(10) 0.045 Uiso 1 calc R .
C44 C -0.0046(17) -0.0051(5) 0.2821(10) 0.029(3) Uani 1 d U .
C45 C -0.1039(19) 0.0202(5) 0.2379(10) 0.036(3) Uani 1 d U .
H45 H -0.1707(19) 0.0368(5) 0.2620(10) 0.043 Uiso 1 calc R .
C46 C -0.1021(20) 0.0204(6) 0.1525(11) 0.041(3) Uani 1 d U .
H46 H -0.1696(20) 0.0375(6) 0.1194(11) 0.049 Uiso 1 calc R .
C47 C -0.0105(17) -0.0041(5) 0.3752(10) 0.028(4) Uiso 1 d . .
O41 O -0.1136(13) 0.0145(4) 0.4032(7) 0.042(3) Uani 1 d . .
N42 N 0.0958(15) -0.0245(4) 0.4210(8) 0.036(4) Uani 1 d . .
H11N H 0.0964(15) -0.0254(4) 0.4731(8) 0.044 Uiso 1 calc R .
H12N H 0.1659(15) -0.0371(4) 0.3994(8) 0.044 Uiso 1 calc R .
N51 N 0.1827(15) 0.0332(4) 0.0247(8) 0.035(3) Uani 1 d U .
C52 C 0.1828(20) 0.0737(6) 0.0205(10) 0.039(3) Uani 1 d U .
H52 H 0.0869(20) 0.0858(6) 0.0059(10) 0.046 Uiso 1 calc R .
C53 C 0.3051(19) 0.1007(6) 0.0346(10) 0.038(3) Uani 1 d U .
H53 H 0.2937(19) 0.1291(6) 0.0304(10) 0.046 Uiso 1 calc R .
C54 C 0.4475(19) 0.0815(5) 0.0559(10) 0.035(3) Uani 1 d U .
C55 C 0.4570(19) 0.0403(5) 0.0664(10) 0.037(3) Uani 1 d U .
H55 H 0.5507(19) 0.0275(5) 0.0835(10) 0.044 Uiso 1 calc R .
C56 C 0.3209(18) 0.0179(6) 0.0507(10) 0.036(3) Uani 1 d U .
H56 H 0.3277(18) -0.0104(6) 0.0593(10) 0.043 Uiso 1 calc R .
C57 C 0.5969(22) 0.1044(6) 0.0651(11) 0.044(5) Uani 1 d . .
O51 O 0.7114(14) 0.0890(5) 0.0470(9) 0.068(5) Uani 1 d . .
N52 N 0.5896(18) 0.1442(6) 0.0886(9) 0.060(5) Uani 1 d . .
H13N H 0.6695(18) 0.1597(6) 0.0911(9) 0.072 Uiso 1 calc R .
H14N H 0.5050(18) 0.1540(6) 0.1011(9) 0.072 Uiso 1 calc R .
P1 P 0.5371(6) 0.24354(15) 0.7031(3) 0.0497(14) Uani 1 d D .
F1 F 0.3805(13) 0.2454(5) 0.7346(9) 0.133(8) Uiso 0.779(15) d PD 1
F2 F 0.4779(18) 0.2091(3) 0.6425(7) 0.108(7) Uiso 0.779(15) d PD 1
F3 F 0.6940(12) 0.2422(4) 0.6721(8) 0.116(7) Uiso 0.779(15) d PD 1
F4 F 0.5998(19) 0.2780(3) 0.7637(7) 0.140(9) Uiso 0.779(15) d PD 1
F5 F 0.4803(12) 0.2762(3) 0.6370(7) 0.062(5) Uiso 0.779(15) d PD 1
F6 F 0.5925(12) 0.2105(3) 0.7685(6) 0.060(5) Uiso 0.779(15) d PD 1
F1' F 0.3751(17) 0.2227(6) 0.6880(13) 0.032(12) Uiso 0.221(15) d PD 2
F2' F 0.5892(30) 0.2153(5) 0.6359(7) 0.024(11) Uiso 0.221(15) d PD 2
F3' F 0.6979(17) 0.2641(6) 0.7174(13) 0.083(20) Uiso 0.221(15) d PD 2
F4' F 0.4783(34) 0.2739(10) 0.7642(22) 0.052(15) Uiso 0.221(15) d PD 2
P11 P 0.3777(9) 0.0915(2) 0.2965(4) 0.087(2) Uani 1 d D .
F11 F 0.2798(19) 0.1213(5) 0.3422(9) 0.102(9) Uiso 0.65(2) d PD 1
F12 F 0.4544(21) 0.1286(6) 0.2568(10) 0.184(15) Uiso 0.65(2) d PD 1
F13 F 0.4831(18) 0.0621(4) 0.2536(9) 0.098(8) Uiso 0.65(2) d PD 1
F14 F 0.3136(16) 0.0527(4) 0.3364(8) 0.056(6) Uiso 0.65(2) d PD 1
F15 F 0.5160(19) 0.0942(5) 0.3703(11) 0.125(11) Uiso 0.65(2) d PD 1
F16 F 0.2544(20) 0.0890(5) 0.2199(10) 0.136(11) Uiso 0.65(2) d PD 1
F11' F 0.1984(25) 0.0918(9) 0.3040(15) 0.121(19) Uiso 0.35(2) d PD 2
F12' F 0.3226(29) 0.1227(7) 0.2232(13) 0.055(11) Uiso 0.35(2) d PD 2
F13' F 0.5544(25) 0.0911(9) 0.2879(16) 0.153(24) Uiso 0.35(2) d PD 2
F14' F 0.3843(37) 0.0603(7) 0.3707(14) 0.118(18) Uiso 0.35(2) d PD 2
F15' F 0.3843(31) 0.1240(7) 0.3684(14) 0.053(11) Uiso 0.35(2) d PD 2
F16' F 0.3306(40) 0.0503(8) 0.2463(22) 0.214(34) Uiso 0.35(2) d PD 2
P21 P 1.3918(5) 0.0835(2) 0.8065(3) 0.054(2) Uani 1 d D .
F21 F 1.3351(29) 0.1263(4) 0.7679(10) 0.074(12) Uiso 0.42(3) d PD 1
F22 F 1.4820(11) 0.1066(3) 0.8818(6) 0.097(5) Uiso 1 d D 1
F23 F 1.4463(30) 0.0405(4) 0.8447(11) 0.124(16) Uiso 0.42(3) d PD 1
F24 F 1.2991(11) 0.0615(3) 0.7299(6) 0.085(4) Uiso 1 d D 1
F25 F 1.5329(17) 0.0856(8) 0.7589(11) 0.053(10) Uiso 0.42(3) d PD 1
F26 F 1.2425(17) 0.0815(9) 0.8484(12) 0.112(16) Uiso 0.42(3) d PD 1
F21' F 1.4284(38) 0.1215(6) 0.7513(10) 0.130(12) Uiso 0.58(3) d PD 2
F23' F 1.3747(21) 0.0453(4) 0.8631(9) 0.065(8) Uiso 0.58(3) d PD 2
F25' F 1.5491(16) 0.0643(7) 0.7890(12) 0.099(10) Uiso 0.58(3) d PD 2
F26' F 1.2376(15) 0.1011(7) 0.8326(10) 0.071(8) Uiso 0.58(3) d PD 2
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'
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'
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
N11 Pt1 N21 90.7(5) . . ?
N11 Pt1 N1 89.6(5) . . ?
N21 Pt1 N1 179.1(5) . . ?
N11 Pt1 N31 179.4(5) . . ?
N21 Pt1 N31 89.5(5) . . ?
N1 Pt1 N31 90.2(5) . . ?
N51 Pt2 N51 179.998(2) . 3 ?
N51 Pt2 N41 92.2(5) . 3 ?
N51 Pt2 N41 87.8(5) 3 3 ?
N51 Pt2 N41 87.8(5) . . ?
N51 Pt2 N41 92.2(5) 3 . ?
N41 Pt2 N41 180.0 3 . ?
C6 N1 C2 120.8(16) . . ?
C6 N1 Pt1 120.3(12) . . ?
C2 N1 Pt1 118.9(12) . . ?
N1 C2 C3 116.6(19) . . ?
C4 C3 C2 123.2(18) . . ?
C5 C4 C3 117.3(17) . . ?
C5 C4 C7 125.1(18) . . ?
C3 C4 C7 117.6(18) . . ?
C6 C5 C4 120.9(19) . . ?
N1 C6 C5 121.0(17) . . ?
O1 C7 N2 122.6(17) . . ?
O1 C7 C4 122.1(19) . . ?
N2 C7 C4 115.3(19) . . ?
C16 N11 C12 117.4(16) . . ?
C16 N11 Pt1 123.3(12) . . ?
C12 N11 Pt1 119.3(12) . . ?
N11 C12 C13 123.0(17) . . ?
C14 C13 C12 119.9(18) . . ?
C13 C14 C15 116.2(17) . . ?
C13 C14 C17 123.5(17) . . ?
C15 C14 C17 120.3(18) . . ?
C16 C15 C14 122.3(18) . . ?
C15 C16 N11 121.1(18) . . ?
O11 C17 N12 124.4(19) . . ?
O11 C17 C14 119.0(19) . . ?
N12 C17 C14 115.9(18) . . ?
C26 N21 C22 117.8(13) . . ?
C26 N21 Pt1 117.1(10) . . ?
C22 N21 Pt1 124.6(10) . . ?
C23 C22 N21 124.3(15) . . ?
C22 C23 C24 119.7(15) . . ?
C25 C24 C23 117.9(14) . . ?
C25 C24 C27 120.3(15) . . ?
C23 C24 C27 121.8(14) . . ?
C24 C25 C26 117.7(15) . . ?
N21 C26 C25 122.4(14) . . ?
O21 C27 N22 122.9(16) . . ?
O21 C27 C24 118.2(17) . . ?
N22 C27 C24 118.9(15) . . ?
C36 N31 C32 117.6(16) . . ?
C36 N31 Pt1 120.9(11) . . ?
C32 N31 Pt1 121.3(12) . . ?
N31 C32 C33 121.6(18) . . ?
C32 C33 C34 120.9(18) . . ?
C35 C34 C33 116.6(17) . . ?
C35 C34 C37 122.1(16) . . ?
C33 C34 C37 121.2(17) . . ?
C34 C35 C36 120.0(16) . . ?
N31 C36 C35 122.7(15) . . ?
O31 C37 N32 122.7(19) . . ?
O31 C37 C34 117.4(17) . . ?
N32 C37 C34 119.9(16) . . ?
C42 N41 C46 117.6(16) . . ?
C42 N41 Pt2 122.6(12) . . ?
C46 N41 Pt2 119.8(12) . . ?
N41 C42 C43 124.3(17) . . ?
C44 C43 C42 117.3(16) . . ?
C43 C44 C45 123.0(16) . . ?
C43 C44 C47 122.4(14) . . ?
C45 C44 C47 114.6(14) . . ?
C44 C45 C46 116.5(15) . . ?
N41 C46 C45 121.0(16) . . ?
O41 C47 N42 122.6(16) . . ?
O41 C47 C44 121.1(14) . . ?
N42 C47 C44 116.4(14) . . ?
C52 N51 C56 112.6(15) . . ?
C52 N51 Pt2 123.6(11) . . ?
C56 N51 Pt2 123.7(12) . . ?
N51 C52 C53 129.2(16) . . ?
C52 C53 C54 113.9(17) . . ?
C55 C54 C53 120.8(16) . . ?
C55 C54 C57 116.2(16) . . ?
C53 C54 C57 123.0(17) . . ?
C54 C55 C56 117.4(16) . . ?
N51 C56 C55 125.8(18) . . ?
O51 C57 N52 123.1(18) . . ?
O51 C57 C54 121.6(19) . . ?
N52 C57 C54 115.2(18) . . ?
F2 P1 F3 89.7(4) . . ?
F2 P1 F1 90.9(5) . . ?
F3 P1 F1 179.3(5) . . ?
F2 P1 F4 178.9(7) . . ?
F3 P1 F4 89.1(5) . . ?
F1 P1 F4 90.2(4) . . ?
F2 P1 F6 89.6(4) . . ?
F3 P1 F6 90.4(4) . . ?
F1 P1 F6 89.8(4) . . ?
F4 P1 F6 90.2(4) . . ?
F2 P1 F5 89.7(4) . . ?
F3 P1 F5 89.8(4) . . ?
F1 P1 F5 90.0(4) . . ?
F4 P1 F5 90.5(4) . . ?
F6 P1 F5 179.3(5) . . ?
F3' P1 F4' 90.6(5) . . ?
F3' P1 F2' 90.3(5) . . ?
F4' P1 F2' 175.3(18) . . ?
F3' P1 F1' 179.5(5) . . ?
F4' P1 F1' 89.8(5) . . ?
F2' P1 F1' 89.3(5) . . ?
F16 P11 F11 93.4(6) . . ?
F16 P11 F14 92.9(6) . . ?
F11 P11 F14 92.1(6) . . ?
F16 P11 F13 89.3(6) . . ?
F11 P11 F13 177.2(5) . . ?
F14 P11 F13 88.5(6) . . ?
F16 P11 F12 89.5(6) . . ?
F11 P11 F12 91.5(6) . . ?
F14 P11 F12 175.6(9) . . ?
F13 P11 F12 87.8(6) . . ?
F13' P11 F15' 98.3(7) . . ?
F13' P11 F14' 98.0(8) . . ?
F15' P11 F14' 81.5(10) . . ?
F16 P11 F15 175.0(13) . . ?
F11 P11 F15 90.5(6) . . ?
F14 P11 F15 90.2(6) . . ?
F13 P11 F15 86.8(6) . . ?
F12 P11 F15 87.2(6) . . ?
F13' P11 F16' 97.5(8) . . ?
F15' P11 F16' 157.8(20) . . ?
F14' P11 F16' 80.9(10) . . ?
F13' P11 F12' 97.4(7) . . ?
F15' P11 F12' 96.9(8) . . ?
F14' P11 F12' 164.5(13) . . ?
F16' P11 F12' 96.4(8) . . ?
F13' P11 F11' 179.3(6) . . ?
F15' P11 F11' 82.3(7) . . ?
F14' P11 F11' 82.5(7) . . ?
F16' P11 F11' 82.1(7) . . ?
F12' P11 F11' 82.1(7) . . ?
F25 P21 F22 91.9(5) . . ?
F25 P21 F26 176.0(10) . . ?
F22 P21 F26 91.6(5) . . ?
F25 P21 F24 88.3(5) . . ?
F22 P21 F24 178.4(4) . . ?
F26 P21 F24 88.2(5) . . ?
F25 P21 F23 91.3(4) . . ?
F22 P21 F23 91.0(4) . . ?
F26 P21 F23 90.7(4) . . ?
F24 P21 F23 90.6(4) . . ?
F25 P21 F21 89.2(4) . . ?
F22 P21 F21 89.6(4) . . ?
F26 P21 F21 88.9(4) . . ?
F24 P21 F21 88.9(4) . . ?
F23 P21 F21 179.3(5) . . ?
F23' P21 F25' 87.6(6) . . ?
F23' P21 F26' 87.8(6) . . ?
F25' P21 F26' 174.5(10) . . ?
F23' P21 F21' 173.9(11) . . ?
F25' P21 F21' 86.9(6) . . ?
F26' P21 F21' 97.5(15) . . ?
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 N11 2.007(14) . ?
Pt1 N21 2.011(11) . ?
Pt1 N1 2.015(14) . ?
Pt1 N31 2.034(14) . ?
Pt2 N51 1.949(15) . ?
Pt2 N51 1.949(15) 3 ?
Pt2 N41 2.002(14) 3 ?
Pt2 N41 2.003(14) . ?
N1 C6 1.36(2) . ?
N1 C2 1.37(2) . ?
C2 C3 1.40(2) . ?
C3 C4 1.37(2) . ?
C4 C5 1.36(2) . ?
C4 C7 1.49(2) . ?
C5 C6 1.36(2) . ?
C7 O1 1.22(2) . ?
C7 N2 1.37(2) . ?
N11 C16 1.35(2) . ?
N11 C12 1.36(2) . ?
C12 C13 1.37(3) . ?
C13 C14 1.35(2) . ?
C14 C15 1.43(3) . ?
C14 C17 1.51(3) . ?
C15 C16 1.33(2) . ?
C17 O11 1.23(2) . ?
C17 N12 1.33(3) . ?
N21 C26 1.31(2) . ?
N21 C22 1.34(2) . ?
C22 C23 1.32(2) . ?
C23 C24 1.42(2) . ?
C24 C25 1.36(2) . ?
C24 C27 1.49(2) . ?
C25 C26 1.45(2) . ?
C27 O21 1.25(2) . ?
C27 N22 1.33(2) . ?
N31 C36 1.32(2) . ?
N31 C32 1.34(2) . ?
C32 C33 1.35(3) . ?
C33 C34 1.38(2) . ?
C34 C35 1.36(2) . ?
C34 C37 1.53(3) . ?
C35 C36 1.37(2) . ?
C37 O31 1.24(2) . ?
C37 N32 1.26(2) . ?
N41 C42 1.33(2) . ?
N41 C46 1.34(2) . ?
C42 C43 1.36(2) . ?
C43 C44 1.33(2) . ?
C44 C45 1.35(2) . ?
C44 C47 1.57(2) . ?
C45 C46 1.43(2) . ?
C47 O41 1.25(2) . ?
C47 N42 1.31(2) . ?
N51 C52 1.33(2) . ?
N51 C56 1.34(2) . ?
C52 C53 1.40(2) . ?
C53 C54 1.41(2) . ?
C54 C55 1.36(2) . ?
C54 C57 1.51(2) . ?
C55 C56 1.41(2) . ?
C57 O51 1.21(2) . ?
C57 N52 1.37(2) . ?
P1 F2 1.557(9) . ?
P1 F3 1.558(9) . ?
P1 F1 1.560(10) . ?
P1 F4 1.566(9) . ?
P1 F3' 1.566(11) . ?
P1 F6 1.568(8) . ?
P1 F5 1.569(8) . ?
P1 F4' 1.570(10) . ?
P1 F2' 1.578(10) . ?
P1 F1' 1.580(12) . ?
P11 F16 1.561(13) . ?
P11 F11 1.579(13) . ?
P11 F14 1.582(12) . ?
P11 F13 1.588(13) . ?
P11 F12 1.588(13) . ?
P11 F13' 1.60(2) . ?
P11 F15' 1.60(2) . ?
P11 F14' 1.60(2) . ?
P11 F15 1.612(12) . ?
P11 F16' 1.61(2) . ?
P11 F12' 1.62(2) . ?
P11 F11' 1.62(2) . ?
P21 F25 1.582(10) . ?
P21 F22 1.584(10) . ?
P21 F26 1.590(11) . ?
P21 F24 1.591(10) . ?
P21 F23' 1.592(13) . ?
P21 F23 1.596(12) . ?
P21 F21 1.596(12) . ?
P21 F25' 1.600(14) . ?
P21 F26' 1.605(13) . ?
P21 F21' 1.611(14) . ?
