#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:40:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180349 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/18/7201875.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_7201875
loop_
_publ_author_name
'Field, John S.'
'Ledwaba, Lesibana P.'
'Munro, Orde Q.'
'McMillin, David R.'
_publ_section_title
;
 Crystal structures and photoluminescent properties of the orange and
 yellow forms of [Pt{4′-(o-ClC6H4)trpy}(CN)]SbF6: an example of
 concomitant polymorphism
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              740
_journal_paper_doi               10.1039/b717655d
_journal_volume                  10
_journal_year                    2008
_chemical_formula_moiety         'C22 H14 Cl N4 Pt, F6 Sb'
_chemical_formula_sum            'C22 H14 Cl F6 N4 Pt Sb'
_chemical_formula_weight         800.66
_chemical_name_common            (Pt(4'-(o-Cl-Ph)terpy)CN)SbF6
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.96(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.579(10)
_cell_length_b                   19.011(11)
_cell_length_c                   19.341(10)
_cell_measurement_reflns_used    >200
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      4
_cell_volume                     4693(5)
_computing_cell_refinement       'Crysalis CCD 170'
_computing_data_collection       'Crysalis CCD 170'
_computing_data_reduction        'Crysalis CCD 170'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1999) and Hg (IUCr)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Xcalibur CCD'
_diffrn_measurement_method       'omega 2 theta 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  0.0452
_diffrn_reflns_av_sigmaI/netI    0.0677
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            41225
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.00
_diffrn_reflns_theta_min         4.22
_exptl_absorpt_coefficient_mu    7.287
_exptl_absorpt_correction_T_max  0.5933
_exptl_absorpt_correction_T_min  0.1215
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Crysalis RED 170'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2992
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         6.192
_refine_diff_density_min         -3.745
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.874
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         15019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.874
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0533
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1557
_reflns_number_gt                9500
_reflns_number_total             15019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717655d.txt
_cod_data_source_block           1-O
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7201875
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.86123(2) 0.979828(17) 0.989506(15) 0.03030(8) Uani 1 1 d . . .
Sb1 Sb 0.44636(4) 0.70942(3) 0.79208(3) 0.04144(14) Uani 1 1 d . . .
Cl1 Cl 0.7903(2) 0.9381(2) 0.61767(16) 0.0963(12) Uani 1 1 d . . .
FA1 F 0.3460(5) 0.6704(4) 0.8300(4) 0.084(2) Uani 1 1 d . . .
FA2 F 0.5517(5) 0.6639(4) 0.8659(4) 0.090(2) Uani 1 1 d . . .
FA3 F 0.5445(6) 0.7452(4) 0.7547(4) 0.092(2) Uani 1 1 d . . .
FA4 F 0.3391(5) 0.7578(4) 0.7211(4) 0.092(2) Uani 1 1 d . . .
FA5 F 0.4214(5) 0.6332(3) 0.7289(3) 0.0747(18) Uani 1 1 d . . .
FA6 F 0.4618(6) 0.7864(4) 0.8541(4) 0.091(2) Uani 1 1 d . . .
NA1 N 0.8720(4) 1.0766(3) 0.9493(3) 0.0328(13) Uani 1 1 d . . .
NA2 N 0.7982(4) 0.9594(3) 0.8839(3) 0.0275(12) Uani 1 1 d . . .
NA3 N 0.8294(4) 0.8764(3) 0.9937(3) 0.0315(13) Uani 1 1 d . . .
NA4 N 0.9629(7) 1.0139(5) 1.1542(6) 0.070(3) Uani 1 1 d . . .
CA1 C 0.9135(5) 1.1337(4) 0.9882(4) 0.0356(16) Uani 1 1 d . . .
HA1 H 0.9396 1.1309 1.0403 0.045(5) Uiso 1 1 calc R . .
CA2 C 0.9197(6) 1.1973(5) 0.9547(5) 0.0410(18) Uani 1 1 d . . .
HA2 H 0.9471 1.2380 0.9832 0.045(5) Uiso 1 1 calc R . .
CA3 C 0.8848(6) 1.1998(4) 0.8784(5) 0.0403(18) Uani 1 1 d . . .
HA3 H 0.8915 1.2420 0.8539 0.045(5) Uiso 1 1 calc R . .
CA4 C 0.8402(6) 1.1405(4) 0.8380(4) 0.0379(17) Uani 1 1 d . . .
HA4 H 0.8136 1.1422 0.7858 0.045(5) Uiso 1 1 calc R . .
CA5 C 0.8349(5) 1.0798(4) 0.8741(4) 0.0282(14) Uani 1 1 d . . .
CA6 C 0.7883(6) 1.0136(4) 0.8367(4) 0.0308(15) Uani 1 1 d . . .
CA7 C 0.7347(6) 1.0028(4) 0.7623(4) 0.0315(15) Uani 1 1 d . . .
HA7 H 0.7279 1.0396 0.7278 0.045(5) Uiso 1 1 calc R . .
CA8 C 0.6906(6) 0.9360(4) 0.7389(4) 0.0329(15) Uani 1 1 d . . .
CA9 C 0.7057(6) 0.8823(4) 0.7899(4) 0.0335(15) Uani 1 1 d . . .
HA9 H 0.6782 0.8367 0.7748 0.045(5) Uiso 1 1 calc R . .
CA10 C 0.7614(5) 0.8960(4) 0.8629(4) 0.0320(15) Uani 1 1 d . . .
CA11 C 0.7814(5) 0.8472(4) 0.9259(4) 0.0343(16) Uani 1 1 d . . .
CA12 C 0.7574(6) 0.7753(4) 0.9186(4) 0.0350(16) Uani 1 1 d . . .
HA12 H 0.7267 0.7545 0.8715 0.045(5) Uiso 1 1 calc R . .
CA13 C 0.7798(6) 0.7352(4) 0.9821(4) 0.0387(17) Uani 1 1 d . . .
HA13 H 0.7631 0.6865 0.9787 0.045(5) Uiso 1 1 calc R . .
CA14 C 0.8254(6) 0.7652(5) 1.0492(5) 0.046(2) Uani 1 1 d . . .
HA14 H 0.8404 0.7374 1.0923 0.045(5) Uiso 1 1 calc R . .
CA15 C 0.8502(5) 0.8356(5) 1.0552(4) 0.0370(17) Uani 1 1 d . . .
HA15 H 0.8819 0.8560 1.1024 0.045(5) Uiso 1 1 calc R . .
CA16 C 0.6214(6) 0.9249(4) 0.6614(4) 0.0366(16) Uani 1 1 d . . .
CA17 C 0.5177(7) 0.9113(5) 0.6481(5) 0.048(2) Uani 1 1 d . . .
HA17 H 0.4918 0.9089 0.6879 0.045(5) Uiso 1 1 calc R . .
CA18 C 0.4496(7) 0.9009(5) 0.5761(5) 0.059(3) Uani 1 1 d . . .
HA18 H 0.3771 0.8928 0.5667 0.045(5) Uiso 1 1 calc R . .
CA19 C 0.4877(9) 0.9025(5) 0.5194(5) 0.057(3) Uani 1 1 d . . .
HA19 H 0.4409 0.8948 0.4708 0.045(5) Uiso 1 1 calc R . .
CA20 C 0.5884(9) 0.9146(5) 0.5300(5) 0.059(3) Uani 1 1 d . . .
HA20 H 0.6128 0.9158 0.4894 0.045(5) Uiso 1 1 calc R . .
CA21 C 0.6584(7) 0.9256(5) 0.6024(4) 0.049(2) Uani 1 1 d . . .
CA22 C 0.9282(5) 1.0019(4) 1.1017(4) 0.0263(14) Uani 1 1 d . . .
Pt2 Pt 0.372784(18) 0.502312(14) 0.496048(13) 0.02356(8) Uani 1 1 d . . .
Sb2 Sb -0.04302(5) 0.72437(4) 0.79678(3) 0.0590(2) Uani 1 1 d . . .
Cl2 Cl 0.30154(19) 0.46727(13) 0.12664(13) 0.0555(6) Uani 1 1 d . . .
FB1 F 0.0738(7) 0.6790(6) 0.8610(4) 0.139(4) Uani 1 1 d . . .
FB2 F 0.0478(6) 0.7738(4) 0.7610(4) 0.091(2) Uani 1 1 d . . .
FB3 F -0.1586(6) 0.7728(5) 0.7342(5) 0.140(4) Uani 1 1 d . . .
FB4 F -0.1312(7) 0.6726(5) 0.8348(5) 0.128(4) Uani 1 1 d . . .
FB5 F -0.0638(6) 0.6574(4) 0.7239(3) 0.092(2) Uani 1 1 d . . .
FB6 F -0.0313(7) 0.7937(5) 0.8660(4) 0.124(4) Uani 1 1 d . . .
NB1 N 0.3828(4) 0.4041(3) 0.4597(3) 0.0242(11) Uani 1 1 d . . .
NB2 N 0.3087(4) 0.5186(3) 0.3899(3) 0.0234(11) Uani 1 1 d . . .
NB3 N 0.3400(4) 0.6060(3) 0.4962(3) 0.0278(12) Uani 1 1 d . . .
NB4 N 0.4772(6) 0.4746(4) 0.6638(5) 0.0519(19) Uani 1 1 d . . .
CB1 C 0.4255(5) 0.3475(4) 0.5012(4) 0.0281(14) Uani 1 1 d . . .
HB1 H 0.4529 0.3517 0.5533 0.045(5) Uiso 1 1 calc R . .
CB2 C 0.4298(5) 0.2828(4) 0.4681(4) 0.0334(16) Uani 1 1 d . . .
HB2 H 0.4602 0.2434 0.4980 0.045(5) Uiso 1 1 calc R . .
CB3 C 0.3912(5) 0.2754(4) 0.3938(4) 0.0334(15) Uani 1 1 d . . .
HB3 H 0.3941 0.2313 0.3715 0.045(5) Uiso 1 1 calc R . .
CB4 C 0.3474(5) 0.3334(4) 0.3513(4) 0.0290(14) Uani 1 1 d . . .
HB4 H 0.3206 0.3297 0.2992 0.045(5) Uiso 1 1 calc R . .
CB5 C 0.3426(4) 0.3971(4) 0.3849(4) 0.0246(13) Uani 1 1 d . . .
CB6 C 0.2984(5) 0.4621(3) 0.3440(4) 0.0237(12) Uani 1 1 d . . .
CB7 C 0.2482(5) 0.4716(4) 0.2695(4) 0.0283(14) Uani 1 1 d . . .
HB7 H 0.2365 0.4327 0.2369 0.045(5) Uiso 1 1 calc R . .
CB8 C 0.2154(5) 0.5376(3) 0.2427(4) 0.0265(13) Uani 1 1 d . . .
CB9 C 0.2313(5) 0.5947(4) 0.2913(4) 0.0298(14) Uani 1 1 d . . .
HB9 H 0.2111 0.6409 0.2731 0.045(5) Uiso 1 1 calc R . .
CB10 C 0.2768(5) 0.5828(3) 0.3662(4) 0.0231(12) Uani 1 1 d . . .
CB11 C 0.2945(5) 0.6331(3) 0.4268(4) 0.0248(13) Uani 1 1 d . . .
CB12 C 0.2649(5) 0.7035(4) 0.4176(4) 0.0325(15) Uani 1 1 d . . .
HB12 H 0.2326 0.7222 0.3696 0.045(5) Uiso 1 1 calc R . .
CB13 C 0.2827(6) 0.7467(4) 0.4790(4) 0.0377(17) Uani 1 1 d . . .
HB13 H 0.2625 0.7948 0.4733 0.045(5) Uiso 1 1 calc R . .
CB14 C 0.3294(6) 0.7189(4) 0.5473(4) 0.0356(17) Uani 1 1 d . . .
HB14 H 0.3434 0.7479 0.5896 0.045(5) Uiso 1 1 calc R . .
CB15 C 0.3565(5) 0.6484(4) 0.5551(4) 0.0301(15) Uani 1 1 d . . .
HB15 H 0.3875 0.6294 0.6031 0.045(5) Uiso 1 1 calc R . .
CB16 C 0.1619(6) 0.5512(4) 0.1630(4) 0.0345(15) Uani 1 1 d . . .
CB17 C 0.0746(6) 0.5953(4) 0.1415(4) 0.0427(18) Uani 1 1 d . . .
HB17 H 0.0493 0.6144 0.1777 0.045(5) Uiso 1 1 calc R . .
CB18 C 0.0246(7) 0.6115(5) 0.0685(5) 0.054(2) Uani 1 1 d . . .
HB18 H -0.0352 0.6412 0.0550 0.045(5) Uiso 1 1 calc R . .
CB19 C 0.0589(8) 0.5859(5) 0.0157(4) 0.055(2) Uani 1 1 d . . .
HB19 H 0.0230 0.5974 -0.0344 0.045(5) Uiso 1 1 calc R . .
CB20 C 0.1445(7) 0.5438(5) 0.0339(5) 0.051(2) Uani 1 1 d . . .
HB20 H 0.1707 0.5276 -0.0030 0.045(5) Uiso 1 1 calc R . .
CB21 C 0.1935(6) 0.5245(4) 0.1066(4) 0.0382(17) Uani 1 1 d . . .
CB22 C 0.4424(4) 0.4855(3) 0.6095(4) 0.0179(11) Uani 1 1 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'
Sb Sb -0.5866 1.5461 '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
NA2 Pt1 NA3 80.0(2) . . ?
NA2 Pt1 NA1 81.0(2) . . ?
NA3 Pt1 NA1 161.0(2) . . ?
NA2 Pt1 CA22 179.8(3) . . ?
NA3 Pt1 CA22 100.2(3) . . ?
NA1 Pt1 CA22 98.8(3) . . ?
FA3 Sb1 FA5 91.4(3) . . ?
FA3 Sb1 FA2 90.2(4) . . ?
FA5 Sb1 FA2 93.6(3) . . ?
FA3 Sb1 FA6 91.4(3) . . ?
FA5 Sb1 FA6 176.1(3) . . ?
FA2 Sb1 FA6 89.0(3) . . ?
FA3 Sb1 FA4 90.9(4) . . ?
FA5 Sb1 FA4 88.8(3) . . ?
FA2 Sb1 FA4 177.3(3) . . ?
FA6 Sb1 FA4 88.5(3) . . ?
FA3 Sb1 FA1 178.7(3) . . ?
FA5 Sb1 FA1 87.4(3) . . ?
FA2 Sb1 FA1 89.2(3) . . ?
FA6 Sb1 FA1 89.8(3) . . ?
FA4 Sb1 FA1 89.7(3) . . ?
CA1 NA1 CA5 119.7(7) . . ?
CA1 NA1 Pt1 126.7(5) . . ?
CA5 NA1 Pt1 113.5(5) . . ?
CA10 NA2 CA6 123.3(6) . . ?
CA10 NA2 Pt1 119.2(5) . . ?
CA6 NA2 Pt1 117.4(5) . . ?
CA15 NA3 CA11 119.5(7) . . ?
CA15 NA3 Pt1 127.2(5) . . ?
CA11 NA3 Pt1 113.3(5) . . ?
NA1 CA1 CA2 121.9(7) . . ?
NA1 CA1 HA1 119.1 . . ?
CA2 CA1 HA1 119.1 . . ?
CA1 CA2 CA3 118.3(8) . . ?
CA1 CA2 HA2 120.8 . . ?
CA3 CA2 HA2 120.8 . . ?
CA2 CA3 CA4 119.6(8) . . ?
CA2 CA3 HA3 120.2 . . ?
CA4 CA3 HA3 120.2 . . ?
CA5 CA4 CA3 119.3(8) . . ?
CA5 CA4 HA4 120.3 . . ?
CA3 CA4 HA4 120.3 . . ?
CA4 CA5 NA1 121.1(7) . . ?
CA4 CA5 CA6 123.9(7) . . ?
NA1 CA5 CA6 115.1(6) . . ?
NA2 CA6 CA7 118.9(7) . . ?
NA2 CA6 CA5 112.9(6) . . ?
CA7 CA6 CA5 128.2(7) . . ?
CA6 CA7 CA8 118.8(7) . . ?
CA6 CA7 HA7 120.6 . . ?
CA8 CA7 HA7 120.6 . . ?
CA9 CA8 CA7 119.4(7) . . ?
CA9 CA8 CA16 120.1(7) . . ?
CA7 CA8 CA16 120.3(6) . . ?
CA10 CA9 CA8 119.1(7) . . ?
CA10 CA9 HA9 120.5 . . ?
CA8 CA9 HA9 120.5 . . ?
NA2 CA10 CA9 120.4(7) . . ?
NA2 CA10 CA11 112.1(7) . . ?
CA9 CA10 CA11 127.4(7) . . ?
NA3 CA11 CA12 120.7(7) . . ?
NA3 CA11 CA10 115.4(7) . . ?
CA12 CA11 CA10 123.9(7) . . ?
CA13 CA12 CA11 118.3(7) . . ?
CA13 CA12 HA12 120.9 . . ?
CA11 CA12 HA12 120.9 . . ?
CA14 CA13 CA12 120.3(8) . . ?
CA14 CA13 HA13 119.8 . . ?
CA12 CA13 HA13 119.8 . . ?
CA13 CA14 CA15 120.5(8) . . ?
CA13 CA14 HA14 119.7 . . ?
CA15 CA14 HA14 119.7 . . ?
NA3 CA15 CA14 120.5(8) . . ?
NA3 CA15 HA15 119.7 . . ?
CA14 CA15 HA15 119.7 . . ?
CA17 CA16 CA21 118.9(7) . . ?
CA17 CA16 CA8 118.2(7) . . ?
CA21 CA16 CA8 122.9(7) . . ?
CA16 CA17 CA18 120.2(9) . . ?
CA16 CA17 HA17 119.9 . . ?
CA18 CA17 HA17 119.9 . . ?
CA19 CA18 CA17 119.6(9) . . ?
CA19 CA18 HA18 120.2 . . ?
CA17 CA18 HA18 120.2 . . ?
CA20 CA19 CA18 122.2(9) . . ?
CA20 CA19 HA19 118.9 . . ?
CA18 CA19 HA19 118.9 . . ?
CA19 CA20 CA21 119.0(9) . . ?
CA19 CA20 HA20 120.5 . . ?
CA21 CA20 HA20 120.5 . . ?
CA16 CA21 CA20 120.1(9) . . ?
CA16 CA21 Cl1 120.1(7) . . ?
CA20 CA21 Cl1 119.8(7) . . ?
NA4 CA22 Pt1 176.8(9) . . ?
NB2 Pt2 NB1 80.8(2) . . ?
NB2 Pt2 NB3 80.1(2) . . ?
NB1 Pt2 NB3 160.9(2) . . ?
NB2 Pt2 CB22 179.5(2) . . ?
NB1 Pt2 CB22 99.4(2) . . ?
NB3 Pt2 CB22 99.7(2) . . ?
FB6 Sb2 FB5 176.1(4) . . ?
FB6 Sb2 FB1 90.2(5) . . ?
FB5 Sb2 FB1 93.6(4) . . ?
FB6 Sb2 FB2 90.3(3) . . ?
FB5 Sb2 FB2 90.7(3) . . ?
FB1 Sb2 FB2 87.7(4) . . ?
FB6 Sb2 FB3 87.9(4) . . ?
FB5 Sb2 FB3 88.3(4) . . ?
FB1 Sb2 FB3 178.0(4) . . ?
FB2 Sb2 FB3 91.6(4) . . ?
FB6 Sb2 FB4 89.9(3) . . ?
FB5 Sb2 FB4 89.2(3) . . ?
FB1 Sb2 FB4 90.5(4) . . ?
FB2 Sb2 FB4 178.1(4) . . ?
FB3 Sb2 FB4 90.3(5) . . ?
CB1 NB1 CB5 119.1(6) . . ?
CB1 NB1 Pt2 126.7(5) . . ?
CB5 NB1 Pt2 114.2(4) . . ?
CB10 NB2 CB6 123.4(6) . . ?
CB10 NB2 Pt2 118.9(4) . . ?
CB6 NB2 Pt2 117.7(4) . . ?
CB15 NB3 CB11 119.3(6) . . ?
CB15 NB3 Pt2 127.6(5) . . ?
CB11 NB3 Pt2 113.0(4) . . ?
NB1 CB1 CB2 120.4(6) . . ?
NB1 CB1 HB1 119.8 . . ?
CB2 CB1 HB1 119.8 . . ?
CB3 CB2 CB1 120.9(7) . . ?
CB3 CB2 HB2 119.5 . . ?
CB1 CB2 HB2 119.5 . . ?
CB2 CB3 CB4 118.6(7) . . ?
CB2 CB3 HB3 120.7 . . ?
CB4 CB3 HB3 120.7 . . ?
CB3 CB4 CB5 119.8(7) . . ?
CB3 CB4 HB4 120.1 . . ?
CB5 CB4 HB4 120.1 . . ?
NB1 CB5 CB4 121.1(6) . . ?
NB1 CB5 CB6 115.2(6) . . ?
CB4 CB5 CB6 123.7(6) . . ?
NB2 CB6 CB7 118.6(6) . . ?
NB2 CB6 CB5 112.1(6) . . ?
CB7 CB6 CB5 129.3(6) . . ?
CB8 CB7 CB6 119.7(6) . . ?
CB8 CB7 HB7 120.2 . . ?
CB6 CB7 HB7 120.2 . . ?
CB7 CB8 CB9 119.9(6) . . ?
CB7 CB8 CB16 122.1(6) . . ?
CB9 CB8 CB16 118.0(6) . . ?
CB10 CB9 CB8 119.0(6) . . ?
CB10 CB9 HB9 120.5 . . ?
CB8 CB9 HB9 120.5 . . ?
NB2 CB10 CB9 119.3(6) . . ?
NB2 CB10 CB11 112.3(6) . . ?
CB9 CB10 CB11 128.4(6) . . ?
NB3 CB11 CB12 120.0(6) . . ?
NB3 CB11 CB10 115.7(6) . . ?
CB12 CB11 CB10 124.3(6) . . ?
CB11 CB12 CB13 119.9(7) . . ?
CB11 CB12 HB12 120.1 . . ?
CB13 CB12 HB12 120.1 . . ?
CB14 CB13 CB12 119.1(7) . . ?
CB14 CB13 HB13 120.5 . . ?
CB12 CB13 HB13 120.5 . . ?
CB13 CB14 CB15 120.0(7) . . ?
CB13 CB14 HB14 120.0 . . ?
CB15 CB14 HB14 120.0 . . ?
NB3 CB15 CB14 121.7(7) . . ?
NB3 CB15 HB15 119.1 . . ?
CB14 CB15 HB15 119.1 . . ?
CB17 CB16 CB21 116.3(7) . . ?
CB17 CB16 CB8 118.5(7) . . ?
CB21 CB16 CB8 125.2(7) . . ?
CB18 CB17 CB16 120.7(8) . . ?
CB18 CB17 HB17 119.7 . . ?
CB16 CB17 HB17 119.7 . . ?
CB19 CB18 CB17 121.3(8) . . ?
CB19 CB18 HB18 119.4 . . ?
CB17 CB18 HB18 119.4 . . ?
CB18 CB19 CB20 120.2(8) . . ?
CB18 CB19 HB19 119.9 . . ?
CB20 CB19 HB19 119.9 . . ?
CB19 CB20 CB21 119.5(8) . . ?
CB19 CB20 HB20 120.3 . . ?
CB21 CB20 HB20 120.3 . . ?
CB20 CB21 CB16 121.9(8) . . ?
CB20 CB21 Cl2 117.6(6) . . ?
CB16 CB21 Cl2 120.5(6) . . ?
NB4 CB22 Pt2 176.8(7) . . ?
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 NA2 1.965(6) . ?
Pt1 NA3 2.020(7) . ?
Pt1 NA1 2.022(7) . ?
Pt1 CA22 2.090(8) . ?
Sb1 FA3 1.849(6) . ?
Sb1 FA5 1.850(6) . ?
Sb1 FA2 1.854(6) . ?
Sb1 FA6 1.858(6) . ?
Sb1 FA4 1.867(6) . ?
Sb1 FA1 1.904(6) . ?
Cl1 CA21 1.730(10) . ?
NA1 CA1 1.331(10) . ?
NA1 CA5 1.369(9) . ?
NA2 CA10 1.316(10) . ?
NA2 CA6 1.353(9) . ?
NA3 CA15 1.366(9) . ?
NA3 CA11 1.367(9) . ?
NA4 CA22 0.988(12) . ?
CA1 CA2 1.386(11) . ?
CA1 HA1 0.9500 . ?
CA2 CA3 1.388(12) . ?
CA2 HA2 0.9500 . ?
CA3 CA4 1.388(11) . ?
CA3 HA3 0.9500 . ?
CA4 CA5 1.363(11) . ?
CA4 HA4 0.9500 . ?
CA5 CA6 1.481(10) . ?
CA6 CA7 1.387(10) . ?
CA7 CA8 1.411(10) . ?
CA7 HA7 0.9500 . ?
CA8 CA9 1.385(10) . ?
CA8 CA16 1.487(10) . ?
CA9 CA10 1.380(10) . ?
CA9 HA9 0.9500 . ?
CA10 CA11 1.481(10) . ?
CA11 CA12 1.402(11) . ?
CA12 CA13 1.388(10) . ?
CA12 HA12 0.9500 . ?
CA13 CA14 1.358(12) . ?
CA13 HA13 0.9500 . ?
CA14 CA15 1.375(12) . ?
CA14 HA14 0.9500 . ?
CA15 HA15 0.9500 . ?
CA16 CA17 1.367(11) . ?
CA16 CA21 1.397(11) . ?
CA17 CA18 1.399(12) . ?
CA17 HA17 0.9500 . ?
CA18 CA19 1.362(13) . ?
CA18 HA18 0.9500 . ?
CA19 CA20 1.332(14) . ?
CA19 HA19 0.9500 . ?
CA20 CA21 1.414(13) . ?
CA20 HA20 0.9500 . ?
Pt2 NB2 1.962(6) . ?
Pt2 NB1 2.016(6) . ?
Pt2 NB3 2.021(6) . ?
Pt2 CB22 2.097(7) . ?
Sb2 FB6 1.846(7) . ?
Sb2 FB5 1.849(6) . ?
Sb2 FB1 1.860(9) . ?
Sb2 FB2 1.862(6) . ?
Sb2 FB3 1.865(9) . ?
Sb2 FB4 1.883(7) . ?
Cl2 CB21 1.761(9) . ?
NB1 CB1 1.349(8) . ?
NB1 CB5 1.368(8) . ?
NB2 CB10 1.323(8) . ?
NB2 CB6 1.369(8) . ?
NB3 CB15 1.351(8) . ?
NB3 CB11 1.372(9) . ?
NB4 CB22 1.014(10) . ?
CB1 CB2 1.399(10) . ?
CB1 HB1 0.9500 . ?
CB2 CB3 1.359(11) . ?
CB2 HB2 0.9500 . ?
CB3 CB4 1.383(9) . ?
CB3 HB3 0.9500 . ?
CB4 CB5 1.385(9) . ?
CB4 HB4 0.9500 . ?
CB5 CB6 1.479(9) . ?
CB6 CB7 1.380(9) . ?
CB7 CB8 1.373(10) . ?
CB7 HB7 0.9500 . ?
CB8 CB9 1.404(9) . ?
CB8 CB16 1.487(10) . ?
CB9 CB10 1.386(9) . ?
CB9 HB9 0.9500 . ?
CB10 CB11 1.467(9) . ?
CB11 CB12 1.393(10) . ?
CB12 CB13 1.395(10) . ?
CB12 HB12 0.9500 . ?
CB13 CB14 1.361(11) . ?
CB13 HB13 0.9500 . ?
CB14 CB15 1.383(11) . ?
CB14 HB14 0.9500 . ?
CB15 HB15 0.9500 . ?
CB16 CB17 1.394(11) . ?
CB16 CB21 1.396(10) . ?
CB17 CB18 1.377(11) . ?
CB17 HB17 0.9500 . ?
CB18 CB19 1.350(13) . ?
CB18 HB18 0.9500 . ?
CB19 CB20 1.355(13) . ?
CB19 HB19 0.9500 . ?
CB20 CB21 1.383(11) . ?
CB20 HB20 0.9500 . ?
