# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_psac120531

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H8 F6 N8 O Pt, 2(C2 H6 O S)'
_chemical_formula_sum            'C20 H20 F6 N8 O3 Pt S2'
_chemical_formula_weight         793.65

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'
S S 0.1246 0.1234 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P 1'
_symmetry_space_group_name_Hall  'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   4.8448(4)
_cell_length_b                   9.8850(7)
_cell_length_c                   14.1315(13)
_cell_angle_alpha                78.203(4)
_cell_angle_beta                 83.713(4)
_cell_angle_gamma                88.665(5)
_cell_volume                     658.49(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    20749
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      30.034

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             384
_exptl_absorpt_coefficient_mu    5.569
_exptl_absorpt_correction_type   'multi-scan '
_exptl_absorpt_correction_T_min  0.35078
_exptl_absorpt_correction_T_max  0.42889
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2003)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6995
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.48
_diffrn_reflns_theta_max         30.03
_reflns_number_total             5305
_reflns_number_gt                5290
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0925P)²+0.0173P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.268(15)
_refine_ls_number_reflns         5305
_refine_ls_number_parameters     352
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.1317
_refine_ls_wR_factor_gt          0.1178
_refine_ls_goodness_of_fit_ref   1.189
_refine_ls_restrained_S_all      1.189
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C1 C 0.676(4) 0.609(2) 0.2106(17) 0.029(4) Uani 1 1 d . . .
C2 C 0.511(4) 0.728(2) 0.1857(17) 0.031(4) Uani 1 1 d . . .
H2 H 0.5326 0.7905 0.1245 0.037 Uiso 1 1 calc R . .
C3 C 0.303(4) 0.744(3) 0.266(2) 0.053(8) Uani 1 1 d . . .
H3 H 0.1655 0.8139 0.2562 0.063 Uiso 1 1 calc R . .
C4 C 0.305(4) 0.654(2) 0.3572(12) 0.038(4) Uani 1 1 d . . .
H4 H 0.1841 0.6685 0.4118 0.045 Uiso 1 1 calc R . .
C5 C 0.487(6) 0.547(3) 0.365(2) 0.038(5) Uani 1 1 d . . .
C6 C 0.914(3) 0.5736(11) 0.1396(9) 0.036(2) Uani 1 1 d . . .
C7 C 1.215(2) 0.5446(12) 0.0314(8) 0.035(2) Uani 1 1 d . . .
C8 C 1.397(5) 0.564(3) -0.0612(17) 0.055(6) Uani 1 1 d . . .
C9 C 0.526(2) 0.4351(12) 0.4544(8) 0.033(2) Uani 1 1 d . A .
C10 C 0.515(3) 0.2964(13) 0.5871(10) 0.042(3) Uani 1 1 d . A .
C11 C 0.431(8) 0.224(3) 0.6934(16) 0.074(10) Uani 1 1 d . . .
C12 C 1.224(6) 0.118(3) 0.425(2) 0.050(7) Uani 1 1 d D . .
H12 H 1.0984 0.1250 0.4805 0.061 Uiso 1 1 calc R . .
C13 C 1.427(4) 0.028(2) 0.4305(16) 0.034(5) Uani 1 1 d D . .
H13 H 1.4663 -0.0172 0.4938 0.041 Uiso 1 1 calc R . .
C14 C 1.585(5) -0.0079(19) 0.3557(10) 0.033(5) Uani 1 1 d . . .
C15 C 1.558(5) 0.069(3) 0.262(2) 0.063(9) Uani 1 1 d . . .
H15 H 1.6714 0.0491 0.2068 0.076 Uiso 1 1 calc R . .
C16 C 1.362(5) 0.174(3) 0.2510(18) 0.038(5) Uani 1 1 d . . .
H16 H 1.3374 0.2256 0.1879 0.045 Uiso 1 1 calc R . .
C17 C 0.870(5) 0.559(2) 0.6794(15) 0.071(5) Uani 1 1 d . . .
H17A H 0.7146 0.5660 0.7289 0.106 Uiso 1 1 calc R . .
H17B H 1.0389 0.5330 0.7110 0.106 Uiso 1 1 calc R . .
H17C H 0.8278 0.4892 0.6430 0.106 Uiso 1 1 calc R . .
C18 C 0.925(12) 0.826(4) 0.682(3) 0.138(19) Uani 1 1 d . . .
H18A H 0.8556 0.9176 0.6545 0.207 Uiso 1 1 calc R . .
H18B H 1.1152 0.8334 0.6978 0.207 Uiso 1 1 calc R . .
H18C H 0.8057 0.7862 0.7417 0.207 Uiso 1 1 calc R . .
C19 C -0.056(5) -0.036(2) -0.0733(17) 0.058(4) Uani 1 1 d . . .
H19A H 0.0160 0.0248 -0.1343 0.087 Uiso 1 1 calc R . .
H19B H -0.2588 -0.0316 -0.0653 0.087 Uiso 1 1 calc R . .
H19C H 0.0028 -0.1316 -0.0749 0.087 Uiso 1 1 calc R . .
C20 C -0.090(5) 0.1911(18) 0.0015(19) 0.069(5) Uani 1 1 d . . .
H20A H -0.0318 0.2388 0.0503 0.104 Uiso 1 1 calc R . .
H20B H -0.2934 0.1837 0.0093 0.104 Uiso 1 1 calc R . .
H20C H -0.0280 0.2435 -0.0637 0.104 Uiso 1 1 calc R . .
N1 N 0.666(3) 0.526(2) 0.2950(12) 0.034(5) Uani 1 1 d . A .
N2 N 1.061(2) 0.4576(12) 0.1726(7) 0.0337(19) Uani 1 1 d . A .
N3 N 1.259(3) 0.4418(13) 0.1019(8) 0.038(2) Uani 1 1 d . . .
N4 N 1.010(2) 0.6310(11) 0.0487(8) 0.039(2) Uani 1 1 d . . .
N5 N 0.726(2) 0.3391(12) 0.4464(7) 0.0328(18) Uani 1 1 d . A .
N6 N 0.722(3) 0.2481(13) 0.5332(8) 0.038(2) Uani 1 1 d . . .
N7 N 0.384(2) 0.4103(11) 0.5437(8) 0.040(2) Uani 1 1 d . . .
N8 N 1.198(4) 0.2060(16) 0.3334(14) 0.033(5) Uani 1 1 d . A .
O1 O 1.781(2) -0.1100(12) 0.3644(8) 0.051(2) Uani 1 1 d . . .
H1 H 1.7756 -0.1510 0.4228 0.076 Uiso 1 1 calc R . .
O2 O 0.763(6) 0.755(2) 0.5349(15) 0.125(9) Uani 1 1 d . . .
O3 O 0.324(4) 0.015(2) 0.0362(15) 0.089(5) Uani 1 1 d . . .
F1 F 1.468(3) 0.6902(15) -0.0935(9) 0.076(2) Uani 1 1 d . . .
F2 F 1.248(3) 0.5177(17) -0.1297(9) 0.076(2) Uani 1 1 d . . .
F3 F 1.633(3) 0.4901(17) -0.0686(10) 0.076(2) Uani 1 1 d . . .
F4 F 0.250(6) 0.284(3) 0.7332(18) 0.090(4) Uani 0.60 1 d P A 1
F5 F 0.310(6) 0.089(3) 0.6877(17) 0.090(4) Uani 0.60 1 d P A 1
F6 F 0.640(7) 0.161(3) 0.751(2) 0.090(4) Uani 0.60 1 d P A 1
F4B F 0.535(9) 0.291(4) 0.749(2) 0.090(4) Uani 0.40 1 d P A 2
F5B F 0.199(9) 0.163(4) 0.689(3) 0.090(4) Uani 0.40 1 d P A 2
F6B F 0.582(11) 0.103(4) 0.721(3) 0.090(4) Uani 0.40 1 d P A 2
S1 S 0.9199(18) 0.7200(6) 0.5993(5) 0.091(3) Uani 1 1 d . . .
S2 S 0.067(2) 0.0122(9) 0.0183(10) 0.137(5) Uani 1 1 d . . .
Pt1 Pt 0.938297(19) 0.370908(18) 0.312290(18) 0.02911(10) Uani 1 1 d . . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;

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
C1 N1 1.30(3) . ?
C1 C2 1.41(3) . ?
C1 C6 1.53(2) . ?
C2 C3 1.46(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.41(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.35(4) . ?
C4 H4 0.9500 . ?
C5 N1 1.29(3) . ?
C5 C9 1.53(3) . ?
C6 N4 1.331(16) . ?
C6 N2 1.362(15) . ?
C7 N3 1.301(17) . ?
C7 N4 1.332(16) . ?
C7 C8 1.48(2) . ?
C8 F1 1.28(3) . ?
C8 F3 1.35(3) . ?
C8 F2 1.42(3) . ?
C9 N7 1.348(15) . ?
C9 N5 1.351(16) . ?
C10 N6 1.328(17) . ?
C10 N7 1.349(17) . ?
C10 C11 1.54(3) . ?
C11 F4 1.20(4) . ?
C11 F4B 1.27(5) . ?
C11 F5B 1.30(6) . ?
C11 F6B 1.40(5) . ?
C11 F6 1.42(5) . ?
C11 F5 1.49(4) . ?
C12 C13 1.316(18) . ?
C12 N8 1.42(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.33(3) . ?
C13 H13 0.9500 . ?
C14 O1 1.37(2) . ?
C14 C15 1.41(3) . ?
C15 C16 1.39(3) . ?
C15 H15 0.9500 . ?
C16 N8 1.42(3) . ?
C16 H16 0.9500 . ?
C17 S1 1.76(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 S1 1.73(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 S2 1.64(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 S2 1.890(17) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
N1 Pt1 1.995(16) . ?
N2 N3 1.340(15) . ?
N2 Pt1 2.014(10) . ?
N5 N6 1.363(15) . ?
N5 Pt1 2.024(10) . ?
N8 Pt1 2.029(16) . ?
O1 H1 0.8400 . ?
O2 S1 1.239(17) . ?
O3 S2 1.299(18) . ?

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 C1 C2 126.5(19) . . ?
N1 C1 C6 112.0(14) . . ?
C2 C1 C6 121.2(18) . . ?
C1 C2 C3 112(2) . . ?
C1 C2 H2 124.2 . . ?
C3 C2 H2 124.2 . . ?
C4 C3 C2 120.0(19) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 118(2) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
N1 C5 C4 124(3) . . ?
N1 C5 C9 108(2) . . ?
C4 C5 C9 128(2) . . ?
N4 C6 N2 110.8(10) . . ?
N4 C6 C1 133.5(12) . . ?
N2 C6 C1 115.7(12) . . ?
N3 C7 N4 117.1(11) . . ?
N3 C7 C8 119.7(16) . . ?
N4 C7 C8 123.2(16) . . ?
F1 C8 F3 105.5(17) . . ?
F1 C8 F2 109(2) . . ?
F3 C8 F2 100.6(17) . . ?
F1 C8 C7 112.3(17) . . ?
F3 C8 C7 121(2) . . ?
F2 C8 C7 107.4(16) . . ?
N7 C9 N5 111.3(11) . . ?
N7 C9 C5 130.4(14) . . ?
N5 C9 C5 118.2(14) . . ?
N6 C10 N7 116.6(12) . . ?
N6 C10 C11 121.1(19) . . ?
N7 C10 C11 122.3(19) . . ?
F4 C11 F4B 70(2) . . ?
F4 C11 F5B 73(3) . . ?
F4B C11 F5B 139(4) . . ?
F4 C11 F6B 135(3) . . ?
F4B C11 F6B 96(4) . . ?
F5B C11 F6B 96(4) . . ?
F4 C11 F6 116(2) . . ?
F4B C11 F6 61(2) . . ?
F5B C11 F6 123(3) . . ?
F4 C11 F5 106(3) . . ?
F4B C11 F5 145(3) . . ?
F6B C11 F5 61(3) . . ?
F6 C11 F5 94(3) . . ?
F4 C11 C10 113(3) . . ?
F4B C11 C10 108(3) . . ?
F5B C11 C10 103(2) . . ?
F6B C11 C10 113(3) . . ?
F6 C11 C10 119(3) . . ?
F5 C11 C10 105.3(17) . . ?
C13 C12 N8 118(2) . . ?
C13 C12 H12 121.1 . . ?
N8 C12 H12 121.1 . . ?
C12 C13 C14 126(2) . . ?
C12 C13 H13 116.8 . . ?
C14 C13 H13 116.8 . . ?
C13 C14 O1 124.5(15) . . ?
C13 C14 C15 118(2) . . ?
O1 C14 C15 117.1(16) . . ?
C16 C15 C14 118(2) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 H15 120.9 . . ?
C15 C16 N8 121(2) . . ?
C15 C16 H16 119.6 . . ?
N8 C16 H16 119.6 . . ?
S1 C17 H17A 109.5 . . ?
S1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
S1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
S1 C18 H18A 109.5 . . ?
S1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
S1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S2 C19 H19A 109.5 . . ?
S2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
S2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
S2 C20 H20A 109.5 . . ?
S2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
S2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C5 N1 C1 120(2) . . ?
C5 N1 Pt1 122.1(18) . . ?
C1 N1 Pt1 118.1(14) . . ?
N3 N2 C6 107.9(11) . . ?
N3 N2 Pt1 139.1(10) . . ?
C6 N2 Pt1 112.8(8) . . ?
C7 N3 N2 103.2(12) . . ?
C6 N4 C7 101.1(10) . . ?
C9 N5 N6 108.6(11) . . ?
C9 N5 Pt1 112.4(8) . . ?
N6 N5 Pt1 139.0(10) . . ?
C10 N6 N5 102.5(13) . . ?
C9 N7 C10 101.0(10) . . ?
C12 N8 C16 117.5(19) . . ?
C12 N8 Pt1 124.3(14) . . ?
C16 N8 Pt1 118.1(17) . . ?
C14 O1 H1 109.5 . . ?
O2 S1 C18 117(2) . . ?
O2 S1 C17 119.1(16) . . ?
C18 S1 C17 99.7(16) . . ?
O3 S2 C19 128.2(16) . . ?
O3 S2 C20 111.1(13) . . ?
C19 S2 C20 97.9(11) . . ?
N1 Pt1 N2 81.1(6) . . ?
N1 Pt1 N5 79.3(6) . . ?
N2 Pt1 N5 160.4(3) . . ?
N1 Pt1 N8 176.9(10) . . ?
N2 Pt1 N8 101.0(6) . . ?
N5 Pt1 N8 98.5(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -5(4) . . . . ?
C6 C1 C2 C3 -178(2) . . . . ?
C1 C2 C3 C4 7(3) . . . . ?
C2 C3 C4 C5 -7(4) . . . . ?
C3 C4 C5 N1 4(4) . . . . ?
C3 C4 C5 C9 -179(2) . . . . ?
N1 C1 C6 N4 -176.9(17) . . . . ?
C2 C1 C6 N4 -3(4) . . . . ?
N1 C1 C6 N2 5(3) . . . . ?
C2 C1 C6 N2 178.9(19) . . . . ?
N3 C7 C8 F1 -135.9(19) . . . . ?
N4 C7 C8 F1 42(3) . . . . ?
N3 C7 C8 F3 -11(3) . . . . ?
N4 C7 C8 F3 167.0(17) . . . . ?
N3 C7 C8 F2 104(2) . . . . ?
N4 C7 C8 F2 -79(2) . . . . ?
N1 C5 C9 N7 -177.6(16) . . . . ?
C4 C5 C9 N7 5(4) . . . . ?
N1 C5 C9 N5 -1(3) . . . . ?
C4 C5 C9 N5 -178(2) . . . . ?
N6 C10 C11 F4 177(2) . . . . ?
N7 C10 C11 F4 -4(3) . . . . ?
N6 C10 C11 F4B 101(3) . . . . ?
N7 C10 C11 F4B -80(4) . . . . ?
N6 C10 C11 F5B -106(3) . . . . ?
N7 C10 C11 F5B 73(3) . . . . ?
N6 C10 C11 F6B -3(4) . . . . ?
N7 C10 C11 F6B 176(3) . . . . ?
N6 C10 C11 F6 35(3) . . . . ?
N7 C10 C11 F6 -146(2) . . . . ?
N6 C10 C11 F5 -68(3) . . . . ?
N7 C10 C11 F5 111(3) . . . . ?
N8 C12 C13 C14 -12(4) . . . . ?
C12 C13 C14 O1 -175(3) . . . . ?
C12 C13 C14 C15 8(4) . . . . ?
C13 C14 C15 C16 -2(4) . . . . ?
O1 C14 C15 C16 -179(2) . . . . ?
C14 C15 C16 N8 2(4) . . . . ?
C4 C5 N1 C1 -2(4) . . . . ?
C9 C5 N1 C1 -180(2) . . . . ?
C4 C5 N1 Pt1 177(2) . . . . ?
C9 C5 N1 Pt1 0(3) . . . . ?
C2 C1 N1 C5 2(4) . . . . ?
C6 C1 N1 C5 176(2) . . . . ?
C2 C1 N1 Pt1 -177(2) . . . . ?
C6 C1 N1 Pt1 -3(3) . . . . ?
N4 C6 N2 N3 1.3(14) . . . . ?
C1 C6 N2 N3 -179.9(15) . . . . ?
N4 C6 N2 Pt1 177.1(8) . . . . ?
C1 C6 N2 Pt1 -4.2(17) . . . . ?
N4 C7 N3 N2 1.9(15) . . . . ?
C8 C7 N3 N2 179.6(14) . . . . ?
C6 N2 N3 C7 -1.9(14) . . . . ?
Pt1 N2 N3 C7 -175.8(11) . . . . ?
N2 C6 N4 C7 -0.2(14) . . . . ?
C1 C6 N4 C7 -178.6(19) . . . . ?
N3 C7 N4 C6 -1.1(15) . . . . ?
C8 C7 N4 C6 -178.7(15) . . . . ?
N7 C9 N5 N6 -1.0(14) . . . . ?
C5 C9 N5 N6 -178.6(15) . . . . ?
N7 C9 N5 Pt1 178.7(8) . . . . ?
C5 C9 N5 Pt1 1.2(17) . . . . ?
N7 C10 N6 N5 0.2(16) . . . . ?
C11 C10 N6 N5 179.5(16) . . . . ?
C9 N5 N6 C10 0.5(13) . . . . ?
Pt1 N5 N6 C10 -179.1(10) . . . . ?
N5 C9 N7 C10 1.0(13) . . . . ?
C5 C9 N7 C10 178.2(18) . . . . ?
N6 C10 N7 C9 -0.7(16) . . . . ?
C11 C10 N7 C9 179.9(16) . . . . ?
C13 C12 N8 C16 11(4) . . . . ?
C13 C12 N8 Pt1 -171(2) . . . . ?
C15 C16 N8 C12 -6(4) . . . . ?
C15 C16 N8 Pt1 175(2) . . . . ?
C5 N1 Pt1 N2 -178(2) . . . . ?
C1 N1 Pt1 N2 0.6(18) . . . . ?
C5 N1 Pt1 N5 1(2) . . . . ?
C1 N1 Pt1 N5 180.0(19) . . . . ?
N3 N2 Pt1 N1 175.9(15) . . . . ?
C6 N2 Pt1 N1 2.1(10) . . . . ?
N3 N2 Pt1 N5 173.8(12) . . . . ?
C6 N2 Pt1 N5 0.1(18) . . . . ?
N3 N2 Pt1 N8 -6.4(14) . . . . ?
C6 N2 Pt1 N8 179.9(9) . . . . ?
C9 N5 Pt1 N1 -1.0(9) . . . . ?
N6 N5 Pt1 N1 178.6(14) . . . . ?
C9 N5 Pt1 N2 1.0(18) . . . . ?
N6 N5 Pt1 N2 -179.4(12) . . . . ?
C9 N5 Pt1 N8 -178.8(9) . . . . ?
N6 N5 Pt1 N8 0.8(13) . . . . ?
C12 N8 Pt1 N2 172(2) . . . . ?
C16 N8 Pt1 N2 -9.6(18) . . . . ?
C12 N8 Pt1 N5 -9(2) . . . . ?
C16 N8 Pt1 N5 170.4(17) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O2 0.84 1.66 2.50(2) 174.8 1_645
O1 H1 S1 0.84 2.72 3.529(13) 163.4 1_645

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        30.03
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         2.027
_refine_diff_density_min         -2.847
_refine_diff_density_rms         0.374
_database_code_depnum_ccdc_archive 'CCDC 988918'
