#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/56/4305670.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_4305670
loop_
_publ_author_name
'José M. Casas'
'Beatriz E. Diosdado'
'Juan Forniés'
'Antonio Martín'
'Angel J. Rueda'
'A. Guy Orpen'
_publ_section_title
;
Synthesis of Binuclear Platinum Complexes Containing the Ligands
8-Naphthyridine, 2-Aminopyridine, and 7-Azaindolate. An Experimental Study
of the Steric Hindrance of the Bulky Pentafluorophenyl Ligands in the
Synthesis of Binuclear Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8767
_journal_page_last               8775
_journal_paper_doi               10.1021/ic8006475
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C49.5 H32 F15 N4 O2.5 Pt2'
_chemical_formula_weight         1383.97
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 111.116(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.442(2)
_cell_length_b                   25.214(4)
_cell_length_c                   16.797(2)
_cell_measurement_reflns_used    412
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     4915.6(13)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_method       'profile data from w 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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23535
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.787
_exptl_absorpt_correction_T_max  0.512
_exptl_absorpt_correction_T_min  0.228
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_description       block
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.032
_refine_diff_density_min         -0.984
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.710
_refine_ls_goodness_of_fit_obs   1.710
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     676
_refine_ls_number_reflns         8530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.710
_refine_ls_restrained_S_obs      1.710
_refine_ls_R_factor_all          0.0391
_refine_ls_R_factor_obs          0.0336
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1014
_refine_ls_wR_factor_obs         0.0966
_reflns_number_observed          7798
_reflns_number_total             8531
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic8006475_si_001_4.cif
_cod_data_source_block           9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0400P)^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^)+(0.0400P)^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        4915.8(11)
_cod_original_formula_sum        'C49.50 H32 F15 N4 O2.50 Pt2'
_cod_database_code               4305670
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 0.70367(2) 0.561871(8) 1.212904(12) 0.02737(9) Uani 1 d . .
Pt2 Pt 0.48186(2) 0.601643(8) 1.236941(13) 0.02798(9) Uani 1 d . .
F2 F 0.7980(4) 0.6446(2) 1.1148(3) 0.0732(15) Uani 1 d . .
F3 F 0.9523(7) 0.7221(4) 1.1695(4) 0.210(6) Uani 1 d . .
F4 F 1.0600(6) 0.7417(3) 1.3378(5) 0.161(4) Uani 1 d . .
F5 F 1.0189(4) 0.6777(2) 1.4534(3) 0.0811(15) Uani 1 d . .
F6 F 0.8695(3) 0.5988(2) 1.4028(2) 0.0510(10) Uani 1 d . .
F8 F 0.2869(3) 0.64498(14) 1.3048(3) 0.0532(10) Uani 1 d . .
F9 F 0.1902(4) 0.6009(2) 1.4088(3) 0.0605(12) Uani 1 d . .
F10 F 0.2551(3) 0.5036(2) 1.4753(2) 0.0530(10) Uani 1 d . .
F11 F 0.4172(3) 0.44805(15) 1.4352(3) 0.0498(9) Uani 1 d . .
F12 F 0.5165(3) 0.49102(14) 1.3340(2) 0.0445(9) Uani 1 d . .
F14 F 0.4759(4) 0.7318(2) 1.2543(2) 0.0545(10) Uani 1 d . .
F15 F 0.6068(4) 0.79606(15) 1.3775(3) 0.0650(12) Uani 1 d . .
F16 F 0.7634(4) 0.7551(2) 1.5221(3) 0.0647(12) Uani 1 d . .
F17 F 0.7870(3) 0.6479(2) 1.5420(2) 0.0540(10) Uani 1 d . .
F18 F 0.6591(3) 0.58358(13) 1.4197(2) 0.0405(8) Uani 1 d . .
N1 N 0.5808(4) 0.5012(2) 1.1513(3) 0.0282(10) Uani 1 d . .
N2 N 0.4058(4) 0.5425(2) 1.1444(3) 0.0342(11) Uani 1 d . .
N3 N 0.8225(4) 0.5059(2) 1.2848(3) 0.0298(10) Uani 1 d . .
N4 N 0.9235(4) 0.5139(2) 1.1931(3) 0.0367(11) Uani 1 d . .
C1 C 0.8229(5) 0.6189(2) 1.2567(4) 0.0347(13) Uani 1 d . .
C2 C 0.8512(6) 0.6509(3) 1.2002(5) 0.061(2) Uani 1 d . .
C3 C 0.9286(8) 0.6925(4) 1.2269(6) 0.104(4) Uani 1 d . .
C4 C 0.9851(8) 0.7016(4) 1.3108(6) 0.096(4) Uani 1 d . .
C5 C 0.9630(7) 0.6705(3) 1.3696(5) 0.061(2) Uani 1 d . .
C6 C 0.8851(5) 0.6292(3) 1.3411(4) 0.0423(15) Uani 1 d . .
C7 C 0.4077(5) 0.5704(2) 1.3147(4) 0.0322(12) Uani 1 d . .
C8 C 0.3241(5) 0.5950(2) 1.3366(4) 0.0400(14) Uani 1 d . .
C9 C 0.2740(5) 0.5742(3) 1.3908(4) 0.0398(14) Uani 1 d . .
C10 C 0.3054(5) 0.5253(3) 1.4228(4) 0.0373(14) Uani 1 d . .
C11 C 0.3871(5) 0.4968(2) 1.4036(4) 0.0365(13) Uani 1 d . .
C12 C 0.4335(5) 0.5197(2) 1.3495(3) 0.0339(13) Uani 1 d . .
C13 C 0.5626(5) 0.6540(2) 1.3293(4) 0.0339(13) Uani 1 d . .
C14 C 0.5528(5) 0.7087(2) 1.3236(4) 0.0381(14) Uani 1 d . .
C15 C 0.6200(6) 0.7425(2) 1.3865(4) 0.046(2) Uani 1 d . .
C16 C 0.6997(6) 0.7227(3) 1.4605(4) 0.0430(15) Uani 1 d . .
C17 C 0.7094(6) 0.6686(3) 1.4698(4) 0.0410(14) Uani 1 d . .
C18 C 0.6425(5) 0.6360(2) 1.4050(4) 0.0334(13) Uani 1 d . .
C19 C 0.6303(5) 0.4602(2) 1.1281(4) 0.0357(13) Uani 1 d . .
H19A H 0.7103(5) 0.4587(2) 1.1501(4) 0.043 Uiso 1 calc R .
C20 C 0.5720(6) 0.4194(3) 1.0738(4) 0.0415(14) Uani 1 d . .
H20A H 0.6125(6) 0.3916(3) 1.0612(4) 0.050 Uiso 1 calc R .
C21 C 0.4554(6) 0.4209(3) 1.0394(4) 0.0404(14) Uani 1 d . .
H21A H 0.4144(6) 0.3945(3) 1.0021(4) 0.049 Uiso 1 calc R .
C22 C 0.3974(5) 0.4632(2) 1.0614(4) 0.0346(13) Uani 1 d . .
C23 C 0.2763(5) 0.4675(3) 1.0260(4) 0.0428(15) Uani 1 d . .
H23A H 0.2330(5) 0.4428(3) 0.9863(4) 0.051 Uiso 1 calc R .
C24 C 0.2244(5) 0.5075(3) 1.0504(4) 0.046(2) Uani 1 d . .
H24A H 0.1447(5) 0.5110(3) 1.0278(4) 0.056 Uiso 1 calc R .
C25 C 0.2918(5) 0.5439(3) 1.1102(4) 0.0392(14) Uani 1 d . .
H25A H 0.2542(5) 0.5710(3) 1.1272(4) 0.047 Uiso 1 calc R .
C26 C 0.4618(5) 0.5026(2) 1.1195(3) 0.0299(12) Uani 1 d . .
C27 C 0.8122(5) 0.4858(3) 1.3548(4) 0.0406(14) Uani 1 d . .
H27A H 0.7449(5) 0.4926(3) 1.3650(4) 0.049 Uiso 1 calc R .
C28 C 0.8974(6) 0.4551(3) 1.4137(4) 0.047(2) Uani 1 d . .
H28A H 0.8872(6) 0.4430(3) 1.4628(4) 0.057 Uiso 1 calc R .
C29 C 0.9949(6) 0.4430(3) 1.3993(4) 0.047(2) Uani 1 d . .
H29A H 1.0526(6) 0.4228(3) 1.4384(4) 0.057 Uiso 1 calc R .
C30 C 1.0075(5) 0.4619(3) 1.3223(4) 0.0380(14) Uani 1 d . .
C31 C 1.1035(5) 0.4511(3) 1.2997(4) 0.0434(15) Uani 1 d . .
H31A H 1.1632(5) 0.4300(3) 1.3347(4) 0.052 Uiso 1 calc R .
C32 C 1.1083(5) 0.4714(3) 1.2272(4) 0.046(2) Uani 1 d . .
H32A H 1.1710(5) 0.4646(3) 1.2110(4) 0.055 Uiso 1 calc R .
C33 C 1.0155(5) 0.5033(3) 1.1759(4) 0.044(2) Uani 1 d . .
H33A H 1.0205(5) 0.5178(3) 1.1265(4) 0.052 Uiso 1 calc R .
C34 C 0.9194(5) 0.4935(2) 1.2675(3) 0.0317(12) Uani 1 d . .
C35 C 0.5920(5) 0.6170(2) 1.1601(3) 0.0296(12) Uani 1 d . .
C36 C 0.5161(5) 0.6504(2) 1.1324(3) 0.0313(12) Uani 1 d . .
C37 C 0.4432(5) 0.6926(2) 1.0840(4) 0.0375(13) Uani 1 d . .
C38 C 0.4888(7) 0.7276(3) 1.0396(4) 0.054(2) Uani 1 d . .
H38A H 0.5636(7) 0.7234(3) 1.0407(4) 0.065 Uiso 1 calc R .
C39 C 0.4207(8) 0.7686(3) 0.9944(6) 0.075(3) Uani 1 d . .
H39A H 0.4513(8) 0.7924(3) 0.9660(6) 0.090 Uiso 1 calc R .
C40 C 0.3118(8) 0.7752(3) 0.9898(5) 0.070(2) Uani 1 d . .
H40A H 0.2668(8) 0.8024(3) 0.9568(5) 0.085 Uiso 1 calc R .
C41 C 0.2678(7) 0.7418(4) 1.0339(6) 0.077(3) Uani 1 d . .
H41A H 0.1930(7) 0.7471(4) 1.0323(6) 0.093 Uiso 1 calc R .
C42 C 0.3313(6) 0.7002(3) 1.0810(5) 0.053(2) Uani 1 d . .
H42A H 0.2997(6) 0.6776(3) 1.1104(5) 0.064 Uiso 1 calc R .
O1 O -0.0055(6) 0.5799(3) 1.0002(5) 0.087(2) Uani 1 d . .
C43 C -0.0055(9) 0.6226(4) 0.9647(8) 0.092(3) Uani 1 d . .
C44 C 0.0767(11) 0.6292(5) 0.9138(8) 0.115(4) Uani 1 d . .
H44A H 0.1342(11) 0.6019(5) 0.9302(8) 0.172 Uiso 1 calc R .
H44B H 0.1135(11) 0.6633(5) 0.9262(8) 0.172 Uiso 1 calc R .
H44C H 0.0331(11) 0.6266(5) 0.8538(8) 0.172 Uiso 1 calc R .
C45 C -0.0956(13) 0.6623(5) 0.9441(10) 0.142(6) Uani 1 d . .
H45A H -0.1431(13) 0.6561(5) 0.9773(10) 0.214 Uiso 1 calc R .
H45B H -0.1419(13) 0.6603(5) 0.8845(10) 0.214 Uiso 1 calc R .
H45C H -0.0615(13) 0.6969(5) 0.9569(10) 0.214 Uiso 1 calc R .
O2 O 0.6608(8) 0.5946(4) 1.7779(6) 0.128(3) Uani 1 d . .
C46 C 0.6027(12) 0.6284(5) 1.7268(7) 0.099(3) Uani 1 d . .
C47 C 0.4817(11) 0.6334(5) 1.6999(8) 0.123(5) Uani 1 d . .
H47A H 0.4515(11) 0.6051(5) 1.7240(8) 0.185 Uiso 1 calc R .
H47B H 0.4487(11) 0.6315(5) 1.6388(8) 0.185 Uiso 1 calc R .
H47C H 0.4627(11) 0.6668(5) 1.7188(8) 0.185 Uiso 1 calc R .
C48 C 0.6654(13) 0.6694(6) 1.6952(8) 0.139(6) Uani 1 d . .
H48A H 0.7465(13) 0.6619(6) 1.7176(8) 0.209 Uiso 1 calc R .
H48B H 0.6520(13) 0.7039(6) 1.7140(8) 0.209 Uiso 1 calc R .
H48C H 0.6379(13) 0.6686(6) 1.6340(8) 0.209 Uiso 1 calc R .
O3 O 0.8048(8) 0.3764(4) 1.2268(6) 0.058(3) Uani 0.50 d P .
C49 C 0.7991(12) 0.3355(6) 1.2505(10) 0.054(4) Uani 0.50 d P .
C50 C 0.7294(19) 0.2944(7) 1.2112(18) 0.115(9) Uani 0.50 d P .
H50A H 0.6812(19) 0.3049(7) 1.1546(18) 0.172 Uiso 0.50 calc PR .
H50B H 0.6822(19) 0.2847(7) 1.2432(18) 0.172 Uiso 0.50 calc PR .
H50C H 0.7757(19) 0.2646(7) 1.2079(18) 0.172 Uiso 0.50 calc PR .
C51 C 0.8696(26) 0.3144(8) 1.3375(14) 0.143(12) Uani 0.50 d P .
H51A H 0.9216(26) 0.3414(8) 1.3696(14) 0.214 Uiso 0.50 calc PR .
H51B H 0.9129(26) 0.2841(8) 1.3316(14) 0.214 Uiso 0.50 calc PR .
H51C H 0.8194(26) 0.3042(8) 1.3669(14) 0.214 Uiso 0.50 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'
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'
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
C35 Pt1 C1 88.1(2) . . ?
C35 Pt1 N3 172.5(2) . . ?
C1 Pt1 N3 89.8(2) . . ?
C35 Pt1 N1 91.2(2) . . ?
C1 Pt1 N1 172.7(2) . . ?
N3 Pt1 N1 91.8(2) . . ?
C35 Pt1 Pt2 45.8(2) . . ?
C1 Pt1 Pt2 107.2(2) . . ?
N3 Pt1 Pt2 128.55(12) . . ?
N1 Pt1 Pt2 77.29(12) . . ?
C13 Pt2 C7 88.6(2) . . ?
C13 Pt2 N2 175.9(2) . . ?
C7 Pt2 N2 90.7(2) . . ?
C13 Pt2 C35 95.3(2) . . ?
C7 Pt2 C35 164.9(2) . . ?
N2 Pt2 C35 84.4(2) . . ?
C13 Pt2 C36 93.4(2) . . ?
C7 Pt2 C36 163.2(2) . . ?
N2 Pt2 C36 88.4(2) . . ?
C35 Pt2 C36 31.3(2) . . ?
C13 Pt2 Pt1 95.3(2) . . ?
C7 Pt2 Pt1 126.6(2) . . ?
N2 Pt2 Pt1 81.93(13) . . ?
C35 Pt2 Pt1 38.56(14) . . ?
C36 Pt2 Pt1 69.85(14) . . ?
C19 N1 C26 116.7(5) . . ?
C19 N1 Pt1 111.7(4) . . ?
C26 N1 Pt1 130.4(4) . . ?
C25 N2 C26 118.0(5) . . ?
C25 N2 Pt2 115.2(4) . . ?
C26 N2 Pt2 126.8(4) . . ?
C27 N3 C34 118.1(5) . . ?
C27 N3 Pt1 119.7(4) . . ?
C34 N3 Pt1 121.7(4) . . ?
C33 N4 C34 116.6(5) . . ?
C6 C1 C2 114.1(6) . . ?
C6 C1 Pt1 125.6(5) . . ?
C2 C1 Pt1 120.3(5) . . ?
F2 C2 C3 116.8(6) . . ?
F2 C2 C1 120.5(6) . . ?
C3 C2 C1 122.6(7) . . ?
F3 C3 C4 119.5(8) . . ?
F3 C3 C2 119.9(9) . . ?
C4 C3 C2 120.5(8) . . ?
F4 C4 C3 121.3(9) . . ?
F4 C4 C5 119.1(8) . . ?
C3 C4 C5 119.5(7) . . ?
F5 C5 C4 121.2(7) . . ?
F5 C5 C6 120.0(7) . . ?
C4 C5 C6 118.7(7) . . ?
F6 C6 C1 119.8(6) . . ?
F6 C6 C5 115.8(6) . . ?
C1 C6 C5 124.3(6) . . ?
C8 C7 C12 112.7(5) . . ?
C8 C7 Pt2 124.5(5) . . ?
C12 C7 Pt2 122.8(4) . . ?
C7 C8 C9 125.0(6) . . ?
C7 C8 F8 119.3(5) . . ?
C9 C8 F8 115.7(5) . . ?
C10 C9 F9 120.0(5) . . ?
C10 C9 C8 118.4(5) . . ?
F9 C9 C8 121.6(6) . . ?
C9 C10 F10 119.3(5) . . ?
C9 C10 C11 121.3(5) . . ?
F10 C10 C11 119.5(6) . . ?
F11 C11 C12 121.7(5) . . ?
F11 C11 C10 120.8(5) . . ?
C12 C11 C10 117.4(5) . . ?
F12 C12 C11 115.8(5) . . ?
F12 C12 C7 118.9(5) . . ?
C11 C12 C7 125.2(5) . . ?
C18 C13 C14 114.1(5) . . ?
C18 C13 Pt2 119.3(4) . . ?
C14 C13 Pt2 126.5(5) . . ?
F14 C14 C15 116.2(6) . . ?
F14 C14 C13 120.6(6) . . ?
C15 C14 C13 123.2(6) . . ?
F15 C15 C16 118.6(6) . . ?
F15 C15 C14 120.8(6) . . ?
C16 C15 C14 120.6(6) . . ?
F16 C16 C15 120.9(6) . . ?
F16 C16 C17 121.1(6) . . ?
C15 C16 C17 117.9(6) . . ?
F17 C17 C16 119.3(6) . . ?
F17 C17 C18 120.8(6) . . ?
C16 C17 C18 119.9(6) . . ?
F18 C18 C17 115.5(5) . . ?
F18 C18 C13 120.3(5) . . ?
C17 C18 C13 124.2(6) . . ?
N1 C19 C20 125.4(6) . . ?
C21 C20 C19 118.9(6) . . ?
C20 C21 C22 118.7(6) . . ?
C21 C22 C23 121.1(6) . . ?
C21 C22 C26 119.6(5) . . ?
C23 C22 C26 119.3(5) . . ?
C24 C23 C22 119.2(6) . . ?
C23 C24 C25 119.0(6) . . ?
N2 C25 C24 124.5(6) . . ?
N2 C26 N1 119.4(5) . . ?
N2 C26 C22 119.9(5) . . ?
N1 C26 C22 120.7(5) . . ?
N3 C27 C28 123.3(6) . . ?
C29 C28 C27 119.9(6) . . ?
C28 C29 C30 118.6(6) . . ?
C34 C30 C31 118.3(6) . . ?
C34 C30 C29 117.9(5) . . ?
C31 C30 C29 123.8(6) . . ?
C32 C31 C30 119.4(6) . . ?
C31 C32 C33 118.4(6) . . ?
N4 C33 C32 124.7(6) . . ?
N4 C34 N3 115.5(5) . . ?
N4 C34 C30 122.5(5) . . ?
N3 C34 C30 122.0(5) . . ?
C36 C35 Pt1 173.4(5) . . ?
C36 C35 Pt2 77.8(4) . . ?
Pt1 C35 Pt2 95.7(2) . . ?
C35 C36 C37 164.2(6) . . ?
C35 C36 Pt2 70.9(3) . . ?
C37 C36 Pt2 124.8(4) . . ?
C42 C37 C38 119.2(6) . . ?
C42 C37 C36 122.7(6) . . ?
C38 C37 C36 118.2(6) . . ?
C39 C38 C37 118.6(7) . . ?
C40 C39 C38 122.3(8) . . ?
C39 C40 C41 119.2(7) . . ?
C40 C41 C42 121.6(8) . . ?
C41 C42 C37 119.1(7) . . ?
O1 C43 C45 125.8(11) . . ?
O1 C43 C44 118.3(10) . . ?
C45 C43 C44 113.5(11) . . ?
O2 C46 C47 124.8(14) . . ?
O2 C46 C48 118.0(12) . . ?
C47 C46 C48 117.1(12) . . ?
O3 C49 C50 129.9(18) . . ?
O3 C49 C51 125.7(17) . . ?
C50 C49 C51 104.5(19) . . ?
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 C35 1.939(5) . ?
Pt1 C1 2.005(6) . ?
Pt1 N3 2.085(4) . ?
Pt1 N1 2.146(5) . ?
Pt1 Pt2 3.0965(5) . ?
Pt2 C13 2.010(6) . ?
Pt2 C7 2.012(6) . ?
Pt2 N2 2.115(5) . ?
Pt2 C35 2.230(5) . ?
Pt2 C36 2.305(5) . ?
F2 C2 1.356(8) . ?
F3 C3 1.334(10) . ?
F4 C4 1.339(9) . ?
F5 C5 1.339(8) . ?
F6 C6 1.359(7) . ?
F8 C8 1.383(7) . ?
F9 C9 1.362(7) . ?
F10 C10 1.367(6) . ?
F11 C11 1.339(7) . ?
F12 C12 1.361(6) . ?
F14 C14 1.344(7) . ?
F15 C15 1.363(7) . ?
F16 C16 1.333(7) . ?
F17 C17 1.353(7) . ?
F18 C18 1.348(7) . ?
N1 C19 1.331(7) . ?
N1 C26 1.381(7) . ?
N2 C25 1.325(7) . ?
N2 C26 1.374(7) . ?
N3 C27 1.329(7) . ?
N3 C34 1.374(7) . ?
N4 C33 1.305(7) . ?
N4 C34 1.371(7) . ?
C1 C6 1.373(9) . ?
C1 C2 1.386(9) . ?
C2 C3 1.383(11) . ?
C3 C4 1.349(13) . ?
C4 C5 1.366(12) . ?
C5 C6 1.383(10) . ?
C7 C8 1.370(8) . ?
C7 C12 1.393(8) . ?
C8 C9 1.379(9) . ?
C9 C10 1.346(9) . ?
C10 C11 1.373(9) . ?
C11 C12 1.368(8) . ?
C13 C18 1.378(8) . ?
C13 C14 1.384(8) . ?
C14 C15 1.380(9) . ?
C15 C16 1.374(9) . ?
C16 C17 1.375(9) . ?
C17 C18 1.378(9) . ?
C19 C20 1.393(8) . ?
C20 C21 1.355(9) . ?
C21 C22 1.410(9) . ?
C22 C23 1.411(8) . ?
C22 C26 1.419(8) . ?
C23 C24 1.339(9) . ?
C24 C25 1.395(9) . ?
C27 C28 1.395(8) . ?
C28 C29 1.355(9) . ?
C29 C30 1.439(9) . ?
C30 C34 1.398(8) . ?
C30 C31 1.405(9) . ?
C31 C32 1.343(9) . ?
C32 C33 1.418(9) . ?
C35 C36 1.225(8) . ?
C36 C37 1.444(8) . ?
C37 C42 1.388(9) . ?
C37 C38 1.401(9) . ?
C38 C39 1.377(10) . ?
C39 C40 1.340(11) . ?
C40 C41 1.361(12) . ?
C41 C42 1.378(10) . ?
O1 C43 1.230(12) . ?
C43 C45 1.449(15) . ?
C43 C44 1.560(15) . ?
O2 C46 1.240(13) . ?
C46 C47 1.41(2) . ?
C46 C48 1.50(2) . ?
O3 C49 1.12(2) . ?
C49 C50 1.36(2) . ?
C49 C51 1.50(2) . ?
