# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2c
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnnb
_database_code_depnum_ccdc_archive 'CCDC 1472892'
_audit_update_record             
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H25 N6 Pt, F6 P'
_chemical_formula_sum            'C24 H25 F6 N6 P Pt'
_chemical_formula_weight         737.56

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'
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'

_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'
'-x, -y, -z'

_cell_length_a                   7.9795(16)
_cell_length_b                   13.018(3)
_cell_length_c                   13.808(3)
_cell_angle_alpha                69.42(3)
_cell_angle_beta                 76.59(3)
_cell_angle_gamma                83.17(3)
_cell_volume                     1305.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    423(2)
_cell_measurement_reflns_used    5918
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.48

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             716
_exptl_absorpt_coefficient_mu    5.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4056
_exptl_absorpt_correction_T_max  0.5579
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      423(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10556
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5918
_reflns_number_gt                4489
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC

_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 > 2sigma(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)+(0.0578P)²+1.2862P] 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_number_reflns         5918
_refine_ls_number_parameters     346
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_ref         0.1188
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.68762(3) 0.073074(19) 0.107899(19) 0.04950(11) Uani 1 1 d . . .
N1 N 0.7411(7) 0.0111(5) -0.0121(5) 0.0550(14) Uani 1 1 d . . .
C1 C 0.7171(11) 0.0663(8) -0.1117(6) 0.071(2) Uani 1 1 d . . .
H1A H 0.6706 0.1379 -0.1280 0.085 Uiso 1 1 calc R . .
C2 C 0.7595(12) 0.0193(10) -0.1880(7) 0.085(3) Uani 1 1 d . . .
H2A H 0.7422 0.0588 -0.2558 0.102 Uiso 1 1 calc R . .
C3 C 0.8281(14) -0.0869(10) -0.1657(9) 0.095(3) Uani 1 1 d . . .
H3A H 0.8548 -0.1201 -0.2173 0.114 Uiso 1 1 calc R . .
C4 C 0.8558(11) -0.1420(8) -0.0659(7) 0.076(3) Uani 1 1 d . . .
H4A H 0.9041 -0.2132 -0.0495 0.092 Uiso 1 1 calc R . .
C5 C 0.8123(9) -0.0922(6) 0.0106(6) 0.0592(18) Uani 1 1 d . . .
C6 C 0.8445(9) -0.1451(6) 0.1196(6) 0.0597(18) Uani 1 1 d . . .
C7 C 0.9221(12) -0.2478(7) 0.1554(8) 0.083(3) Uani 1 1 d . . .
H7A H 0.9517 -0.2904 0.1117 0.100 Uiso 1 1 calc R . .
C8 C 0.9561(14) -0.2877(7) 0.2557(10) 0.100(3) Uani 1 1 d . . .
H8A H 1.0097 -0.3566 0.2800 0.120 Uiso 1 1 calc R . .
C9 C 0.9093(13) -0.2238(7) 0.3190(8) 0.086(3) Uani 1 1 d . . .
H9A H 0.9298 -0.2493 0.3873 0.103 Uiso 1 1 calc R . .
C10 C 0.8309(11) -0.1204(6) 0.2799(6) 0.070(2) Uani 1 1 d . . .
H10A H 0.7999 -0.0767 0.3225 0.085 Uiso 1 1 calc R . .
N2 N 0.7992(8) -0.0828(5) 0.1818(5) 0.0552(14) Uani 1 1 d . . .
N3 N 0.6456(7) 0.1319(4) 0.2301(4) 0.0506(13) Uani 1 1 d . . .
C11 C 0.7354(10) 0.2168(6) 0.2201(6) 0.0587(18) Uani 1 1 d . . .
H11A H 0.8131 0.2472 0.1571 0.070 Uiso 1 1 calc R . .
C12 C 0.7180(9) 0.2607(6) 0.2984(6) 0.0576(17) Uani 1 1 d . . .
H12A H 0.7843 0.3189 0.2888 0.069 Uiso 1 1 calc R . .
C13 C 0.6000(9) 0.2176(5) 0.3931(5) 0.0509(16) Uani 1 1 d . . .
C14 C 0.5046(10) 0.1328(6) 0.4013(6) 0.0603(18) Uani 1 1 d . . .
H14A H 0.4214 0.1040 0.4621 0.072 Uiso 1 1 calc R . .
C15 C 0.5303(9) 0.0899(6) 0.3209(6) 0.0568(17) Uani 1 1 d . . .
H15A H 0.4669 0.0308 0.3293 0.068 Uiso 1 1 calc R . .
N4 N 0.5699(8) 0.2565(5) 0.4803(5) 0.0597(15) Uani 1 1 d . . .
N5 N 0.6689(8) 0.3342(5) 0.4613(5) 0.0599(15) Uani 1 1 d . . .
C16 C 0.6558(9) 0.3807(6) 0.5408(6) 0.0548(16) Uani 1 1 d . . .
C17 C 0.7599(11) 0.4676(6) 0.5133(6) 0.069(2) Uani 1 1 d . . .
H17A H 0.8319 0.4899 0.4468 0.083 Uiso 1 1 calc R . .
C18 C 0.7592(10) 0.5220(6) 0.5822(6) 0.0649(19) Uani 1 1 d . . .
H18A H 0.8322 0.5798 0.5618 0.078 Uiso 1 1 calc R . .
C19 C 0.6520(10) 0.4929(6) 0.6820(6) 0.0583(18) Uani 1 1 d . . .
C20 C 0.5447(10) 0.4033(6) 0.7085(6) 0.0627(19) Uani 1 1 d . . .
H20A H 0.4708 0.3811 0.7743 0.075 Uiso 1 1 calc R . .
C21 C 0.5473(11) 0.3487(7) 0.6394(6) 0.067(2) Uani 1 1 d . . .
H21A H 0.4761 0.2901 0.6587 0.081 Uiso 1 1 calc R . .
N6 N 0.6520(9) 0.5464(5) 0.7507(5) 0.0707(18) Uani 1 1 d . . .
C22 C 0.7709(12) 0.6344(7) 0.7228(7) 0.082(3) Uani 1 1 d . . .
H22A H 0.8365 0.6465 0.6523 0.123 Uiso 1 1 calc R . .
H22B H 0.8477 0.6138 0.7713 0.123 Uiso 1 1 calc R . .
H22C H 0.7065 0.7006 0.7264 0.123 Uiso 1 1 calc R . .
C23 C 0.5401(13) 0.5161(7) 0.8551(7) 0.081(2) Uani 1 1 d . . .
H23A H 0.4686 0.4581 0.8633 0.121 Uiso 1 1 calc R . .
H23B H 0.4687 0.5787 0.8627 0.121 Uiso 1 1 calc R . .
H23C H 0.6091 0.4917 0.9081 0.121 Uiso 1 1 calc R . .
C24 C 0.5835(11) 0.2207(6) 0.0242(6) 0.065(2) Uani 1 1 d . . .
H24A H 0.5438 0.2641 0.0693 0.098 Uiso 1 1 calc R . .
H24B H 0.4883 0.2078 -0.0011 0.098 Uiso 1 1 calc R . .
H24C H 0.6697 0.2591 -0.0347 0.098 Uiso 1 1 calc R . .
P1 P 1.0000 0.5000 0.0000 0.0617(7) Uani 1 2 d S . .
F1 F 0.8715(7) 0.4205(4) -0.0057(5) 0.1076(19) Uani 1 1 d . . .
F2 F 0.9188(10) 0.4838(7) 0.1181(5) 0.140(3) Uani 1 1 d . . .
F3 F 0.8685(11) 0.5976(5) -0.0337(7) 0.148(3) Uani 1 1 d . . .
P2 P 1.0000 0.0000 -0.5000 0.0581(6) Uani 1 2 d S . .
F4 F 0.9403(12) -0.1152(6) -0.4380(9) 0.199(5) Uani 1 1 d . . .
F5 F 0.8993(11) 0.0104(8) -0.5857(6) 0.168(4) Uani 1 1 d . . .
F6 F 0.8350(8) 0.0479(6) -0.4409(5) 0.120(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Pt1 N1 2.027(6) . ?
Pt1 N3 2.032(5) . ?
Pt1 C24 2.055(7) . ?
Pt1 N2 2.119(6) . ?
N1 C5 1.354(10) . ?
N1 C1 1.356(10) . ?
C1 C2 1.355(12) . ?
C1 H1A 0.9300 . ?
C2 C3 1.379(15) . ?
C2 H2A 0.9300 . ?
C3 C4 1.368(14) . ?
C3 H3A 0.9300 . ?
C4 C5 1.385(10) . ?
C4 H4A 0.9300 . ?
C5 C6 1.487(11) . ?
C6 N2 1.342(9) . ?
C6 C7 1.377(11) . ?
C7 C8 1.377(14) . ?
C7 H7A 0.9300 . ?
C8 C9 1.371(14) . ?
C8 H8A 0.9300 . ?
C9 C10 1.393(11) . ?
C9 H9A 0.9300 . ?
C10 N2 1.343(10) . ?
C10 H10A 0.9300 . ?
N3 C11 1.338(8) . ?
N3 C15 1.349(9) . ?
C11 C12 1.364(9) . ?
C11 H11A 0.9300 . ?
C12 C13 1.396(10) . ?
C12 H12A 0.9300 . ?
C13 C14 1.372(10) . ?
C13 N4 1.425(9) . ?
C14 C15 1.374(10) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
N4 N5 1.275(8) . ?
N5 C16 1.407(9) . ?
C16 C17 1.375(10) . ?
C16 C21 1.384(10) . ?
C17 C18 1.370(10) . ?
C17 H17A 0.9300 . ?
C18 C19 1.392(11) . ?
C18 H18A 0.9300 . ?
C19 N6 1.360(9) . ?
C19 C20 1.421(10) . ?
C20 C21 1.371(10) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
N6 C23 1.455(10) . ?
N6 C22 1.463(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
P1 F3 1.557(6) 2_765 ?
P1 F3 1.557(6) . ?
P1 F2 1.557(6) . ?
P1 F2 1.557(6) 2_765 ?
P1 F1 1.574(5) . ?
P1 F1 1.574(5) 2_765 ?
P2 F4 1.512(7) 2_754 ?
P2 F4 1.512(7) . ?
P2 F5 1.538(6) . ?
P2 F5 1.538(6) 2_754 ?
P2 F6 1.566(6) . ?
P2 F6 1.566(6) 2_754 ?

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 Pt1 N3 177.1(2) . . ?
N1 Pt1 C24 95.5(3) . . ?
N3 Pt1 C24 86.7(3) . . ?
N1 Pt1 N2 79.4(2) . . ?
N3 Pt1 N2 98.4(2) . . ?
C24 Pt1 N2 174.9(3) . . ?
C5 N1 C1 119.1(7) . . ?
C5 N1 Pt1 115.7(5) . . ?
C1 N1 Pt1 125.1(6) . . ?
C2 C1 N1 121.3(9) . . ?
C2 C1 H1A 119.3 . . ?
N1 C1 H1A 119.3 . . ?
C1 C2 C3 120.4(9) . . ?
C1 C2 H2A 119.8 . . ?
C3 C2 H2A 119.8 . . ?
C4 C3 C2 118.5(8) . . ?
C4 C3 H3A 120.8 . . ?
C2 C3 H3A 120.8 . . ?
C3 C4 C5 120.1(9) . . ?
C3 C4 H4A 119.9 . . ?
C5 C4 H4A 119.9 . . ?
N1 C5 C4 120.5(8) . . ?
N1 C5 C6 116.2(6) . . ?
C4 C5 C6 123.3(8) . . ?
N2 C6 C7 120.8(8) . . ?
N2 C6 C5 114.9(6) . . ?
C7 C6 C5 124.2(7) . . ?
C8 C7 C6 120.2(9) . . ?
C8 C7 H7A 119.9 . . ?
C6 C7 H7A 119.9 . . ?
C9 C8 C7 118.8(9) . . ?
C9 C8 H8A 120.6 . . ?
C7 C8 H8A 120.6 . . ?
C8 C9 C10 119.3(9) . . ?
C8 C9 H9A 120.4 . . ?
C10 C9 H9A 120.4 . . ?
N2 C10 C9 121.1(8) . . ?
N2 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C6 N2 C10 119.8(7) . . ?
C6 N2 Pt1 113.8(5) . . ?
C10 N2 Pt1 126.3(5) . . ?
C11 N3 C15 118.2(6) . . ?
C11 N3 Pt1 118.7(5) . . ?
C15 N3 Pt1 123.2(5) . . ?
N3 C11 C12 122.9(7) . . ?
N3 C11 H11A 118.6 . . ?
C12 C11 H11A 118.6 . . ?
C11 C12 C13 119.6(6) . . ?
C11 C12 H12A 120.2 . . ?
C13 C12 H12A 120.2 . . ?
C14 C13 C12 117.1(6) . . ?
C14 C13 N4 118.0(6) . . ?
C12 C13 N4 124.8(6) . . ?
C13 C14 C15 120.9(7) . . ?
C13 C14 H14A 119.6 . . ?
C15 C14 H14A 119.6 . . ?
N3 C15 C14 121.4(7) . . ?
N3 C15 H15A 119.3 . . ?
C14 C15 H15A 119.3 . . ?
N5 N4 C13 110.7(6) . . ?
N4 N5 C16 117.5(6) . . ?
C17 C16 C21 119.3(7) . . ?
C17 C16 N5 114.5(7) . . ?
C21 C16 N5 126.2(7) . . ?
C18 C17 C16 121.1(7) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C17 C18 C19 121.7(7) . . ?
C17 C18 H18A 119.1 . . ?
C19 C18 H18A 119.1 . . ?
N6 C19 C18 121.7(7) . . ?
N6 C19 C20 122.0(7) . . ?
C18 C19 C20 116.2(7) . . ?
C21 C20 C19 121.7(7) . . ?
C21 C20 H20A 119.1 . . ?
C19 C20 H20A 119.1 . . ?
C20 C21 C16 120.0(7) . . ?
C20 C21 H21A 120.0 . . ?
C16 C21 H21A 120.0 . . ?
C19 N6 C23 121.8(7) . . ?
C19 N6 C22 120.4(7) . . ?
C23 N6 C22 117.7(7) . . ?
N6 C22 H22A 109.5 . . ?
N6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N6 C23 H23A 109.5 . . ?
N6 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N6 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Pt1 C24 H24A 109.5 . . ?
Pt1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Pt1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
F3 P1 F3 179.999(1) 2_765 . ?
F3 P1 F2 90.4(5) 2_765 . ?
F3 P1 F2 89.6(5) . . ?
F3 P1 F2 89.6(5) 2_765 2_765 ?
F3 P1 F2 90.4(5) . 2_765 ?
F2 P1 F2 180.0(6) . 2_765 ?
F3 P1 F1 90.9(3) 2_765 . ?
F3 P1 F1 89.1(3) . . ?
F2 P1 F1 92.4(3) . . ?
F2 P1 F1 87.6(3) 2_765 . ?
F3 P1 F1 89.1(3) 2_765 2_765 ?
F3 P1 F1 90.9(3) . 2_765 ?
F2 P1 F1 87.6(3) . 2_765 ?
F2 P1 F1 92.4(3) 2_765 2_765 ?
F1 P1 F1 179.999(1) . 2_765 ?
F4 P2 F4 179.998(1) 2_754 . ?
F4 P2 F5 88.5(6) 2_754 . ?
F4 P2 F5 91.5(6) . . ?
F4 P2 F5 91.5(6) 2_754 2_754 ?
F4 P2 F5 88.5(6) . 2_754 ?
F5 P2 F5 179.998(1) . 2_754 ?
F4 P2 F6 89.9(5) 2_754 . ?
F4 P2 F6 90.1(5) . . ?
F5 P2 F6 88.0(4) . . ?
F5 P2 F6 92.0(4) 2_754 . ?
F4 P2 F6 90.1(5) 2_754 2_754 ?
F4 P2 F6 89.9(5) . 2_754 ?
F5 P2 F6 92.0(4) . 2_754 ?
F5 P2 F6 88.0(4) 2_754 2_754 ?
F6 P2 F6 180.0(3) . 2_754 ?

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
N3 Pt1 N1 C5 42(4) . . . . ?
C24 Pt1 N1 C5 -178.6(5) . . . . ?
N2 Pt1 N1 C5 1.5(5) . . . . ?
N3 Pt1 N1 C1 -135(4) . . . . ?
C24 Pt1 N1 C1 3.9(6) . . . . ?
N2 Pt1 N1 C1 -175.9(6) . . . . ?
C5 N1 C1 C2 1.4(11) . . . . ?
Pt1 N1 C1 C2 178.7(6) . . . . ?
N1 C1 C2 C3 0.2(14) . . . . ?
C1 C2 C3 C4 -1.5(14) . . . . ?
C2 C3 C4 C5 1.3(13) . . . . ?
C1 N1 C5 C4 -1.7(11) . . . . ?
Pt1 N1 C5 C4 -179.3(6) . . . . ?
C1 N1 C5 C6 176.4(6) . . . . ?
Pt1 N1 C5 C6 -1.2(8) . . . . ?
C3 C4 C5 N1 0.3(12) . . . . ?
C3 C4 C5 C6 -177.6(8) . . . . ?
N1 C5 C6 N2 -0.3(9) . . . . ?
C4 C5 C6 N2 177.7(7) . . . . ?
N1 C5 C6 C7 -177.3(7) . . . . ?
C4 C5 C6 C7 0.8(12) . . . . ?
N2 C6 C7 C8 -0.7(13) . . . . ?
C5 C6 C7 C8 176.1(8) . . . . ?
C6 C7 C8 C9 0.8(15) . . . . ?
C7 C8 C9 C10 -0.7(15) . . . . ?
C8 C9 C10 N2 0.5(14) . . . . ?
C7 C6 N2 C10 0.5(11) . . . . ?
C5 C6 N2 C10 -176.6(7) . . . . ?
C7 C6 N2 Pt1 178.6(6) . . . . ?
C5 C6 N2 Pt1 1.5(8) . . . . ?
C9 C10 N2 C6 -0.4(12) . . . . ?
C9 C10 N2 Pt1 -178.3(6) . . . . ?
N1 Pt1 N2 C6 -1.7(5) . . . . ?
N3 Pt1 N2 C6 -179.8(5) . . . . ?
C24 Pt1 N2 C6 -3(3) . . . . ?
N1 Pt1 N2 C10 176.3(7) . . . . ?
N3 Pt1 N2 C10 -1.8(7) . . . . ?
C24 Pt1 N2 C10 175(3) . . . . ?
N1 Pt1 N3 C11 73(4) . . . . ?
C24 Pt1 N3 C11 -66.6(6) . . . . ?
N2 Pt1 N3 C11 113.1(5) . . . . ?
N1 Pt1 N3 C15 -108(4) . . . . ?
C24 Pt1 N3 C15 113.0(6) . . . . ?
N2 Pt1 N3 C15 -67.3(6) . . . . ?
C15 N3 C11 C12 1.5(11) . . . . ?
Pt1 N3 C11 C12 -178.9(6) . . . . ?
N3 C11 C12 C13 -1.1(11) . . . . ?
C11 C12 C13 C14 -1.0(11) . . . . ?
C11 C12 C13 N4 -179.8(7) . . . . ?
C12 C13 C14 C15 2.6(11) . . . . ?
N4 C13 C14 C15 -178.5(6) . . . . ?
C11 N3 C15 C14 0.2(10) . . . . ?
Pt1 N3 C15 C14 -179.4(5) . . . . ?
C13 C14 C15 N3 -2.2(11) . . . . ?
C14 C13 N4 N5 179.3(6) . . . . ?
C12 C13 N4 N5 -1.8(10) . . . . ?
C13 N4 N5 C16 -179.4(6) . . . . ?
N4 N5 C16 C17 -176.9(7) . . . . ?
N4 N5 C16 C21 1.4(11) . . . . ?
C21 C16 C17 C18 0.8(12) . . . . ?
N5 C16 C17 C18 179.2(7) . . . . ?
C16 C17 C18 C19 -0.9(13) . . . . ?
C17 C18 C19 N6 179.6(7) . . . . ?
C17 C18 C19 C20 0.4(11) . . . . ?
N6 C19 C20 C21 -179.0(7) . . . . ?
C18 C19 C20 C21 0.2(11) . . . . ?
C19 C20 C21 C16 -0.3(12) . . . . ?
C17 C16 C21 C20 -0.1(12) . . . . ?
N5 C16 C21 C20 -178.4(7) . . . . ?
C18 C19 N6 C23 180.0(7) . . . . ?
C20 C19 N6 C23 -0.9(11) . . . . ?
C18 C19 N6 C22 -2.4(11) . . . . ?
C20 C19 N6 C22 176.7(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.176
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.146
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnqd
_database_code_depnum_ccdc_archive 'CCDC 1472894'
_audit_update_record             
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H30 N8 Pt, 2(C F3 O3 S)'
_chemical_formula_sum            'C36 H30 F6 N8 O6 Pt S2'
_chemical_formula_weight         1043.89

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           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n
_symmetry_space_group_name_Hall  '-P 2yn'

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'

_cell_length_a                   11.3813(7)
_cell_length_b                   25.6200(16)
_cell_length_c                   14.4518(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.049(2)
_cell_angle_gamma                90.00
_cell_volume                     4211.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7472
_cell_measurement_theta_min      1.59
_cell_measurement_theta_max      25.08

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2056
_exptl_absorpt_coefficient_mu    3.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3341
_exptl_absorpt_correction_T_max  0.6035
_exptl_absorpt_process_details   'SADABS (Bruker, 2006)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56973
_diffrn_reflns_av_R_equivalents  0.0689
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.59
_diffrn_reflns_theta_max         25.08
_reflns_number_total             7472
_reflns_number_gt                5882
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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 > 2sigma(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)+(0.0230P)²+21.6404P] 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_number_reflns         7472
_refine_ls_number_parameters     550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0428
_refine_ls_wR_factor_ref         0.0888
_refine_ls_wR_factor_gt          0.0841
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.44532(2) 0.237259(10) 0.870984(16) 0.02414(8) Uani 1 1 d . . .
S1 S 0.24846(15) 0.28366(8) 1.16208(12) 0.0408(4) Uani 1 1 d . . .
N1 N 0.2725(4) 0.24402(19) 0.8383(3) 0.0255(12) Uani 1 1 d . . .
N2 N 0.3830(4) 0.18223(19) 0.9548(3) 0.0260(12) Uani 1 1 d . . .
N3 N 0.5072(4) 0.2943(2) 0.7824(4) 0.0301(12) Uani 1 1 d . . .
H3A H 0.5607 0.2793 0.7442 0.036 Uiso 1 1 calc R . .
H3B H 0.4454 0.3064 0.7457 0.036 Uiso 1 1 calc R . .
C5 C 0.2038(5) 0.2134(3) 0.8886(5) 0.0311(15) Uani 1 1 d . . .
C6 C 0.2647(6) 0.1775(3) 0.9549(4) 0.0313(15) Uani 1 1 d . . .
N5 N 0.8120(6) 0.4499(3) 1.0262(5) 0.0522(17) Uani 1 1 d . . .
F3 F 0.1776(5) 0.3753(2) 1.1017(4) 0.0885(19) Uani 1 1 d . . .
C10 C 0.4487(6) 0.1514(2) 1.0099(4) 0.0333(16) Uani 1 1 d . . .
H10A H 0.5319 0.1546 1.0099 0.040 Uiso 1 1 calc R . .
F2 F 0.2382(5) 0.3241(2) 0.9962(3) 0.0806(17) Uani 1 1 d . . .
O3 O 0.1286(5) 0.2681(3) 1.1509(5) 0.098(3) Uani 1 1 d . . .
C14 C 0.4943(6) 0.3742(3) 0.8747(5) 0.0397(17) Uani 1 1 d . . .
H14A H 0.4111 0.3716 0.8695 0.048 Uiso 1 1 calc R . .
N4 N 0.7112(5) 0.4606(3) 0.9931(5) 0.0502(17) Uani 1 1 d . . .
C13 C 0.5626(6) 0.3382(3) 0.8303(4) 0.0307(15) Uani 1 1 d . . .
F1 F 0.3614(5) 0.3602(2) 1.0889(4) 0.0907(19) Uani 1 1 d . . .
C19 C 0.8584(7) 0.4918(3) 1.0838(5) 0.049(2) Uani 1 1 d . . .
C15 C 0.5452(7) 0.4137(3) 0.9262(5) 0.0452(19) Uani 1 1 d . . .
H15A H 0.4974 0.4384 0.9563 0.054 Uiso 1 1 calc R . .
O2 O 0.2727(5) 0.3057(2) 1.2524(3) 0.0572(15) Uani 1 1 d . . .
C2 C 0.1014(7) 0.2797(3) 0.7619(5) 0.049(2) Uani 1 1 d . . .
H2B H 0.0678 0.3030 0.7172 0.059 Uiso 1 1 calc R . .
C1 C 0.2207(6) 0.2769(3) 0.7757(5) 0.0374(17) Uani 1 1 d . . .
H1A H 0.2691 0.2988 0.7401 0.045 Uiso 1 1 calc R . .
O1 O 0.3338(6) 0.2482(2) 1.1311(4) 0.0668(17) Uani 1 1 d . . .
C18 C 0.6840(7) 0.3432(3) 0.8354(5) 0.0464(19) Uani 1 1 d . . .
H18A H 0.7318 0.3202 0.8015 0.056 Uiso 1 1 calc R . .
C16 C 0.6657(7) 0.4173(3) 0.9341(5) 0.0438(18) Uani 1 1 d . . .
C7 C 0.2107(7) 0.1423(3) 1.0108(5) 0.0453(19) Uani 1 1 d . . .
H7A H 0.1274 0.1398 1.0104 0.054 Uiso 1 1 calc R . .
C11 C 0.2541(8) 0.3385(3) 1.0833(6) 0.058(2) Uani 1 1 d . . .
C20 C 0.7928(7) 0.5352(3) 1.1125(6) 0.060(2) Uani 1 1 d . . .
H20A H 0.7116 0.5383 1.0957 0.072 Uiso 1 1 calc R . .
C24 C 0.9784(8) 0.4859(3) 1.1099(5) 0.054(2) Uani 1 1 d . . .
H24A H 1.0213 0.4560 1.0914 0.065 Uiso 1 1 calc R . .
C22 C 0.9687(9) 0.5674(4) 1.1900(6) 0.066(3) Uani 1 1 d . . .
H22A H 1.0070 0.5938 1.2260 0.079 Uiso 1 1 calc R . .
C3 C 0.0304(6) 0.2484(3) 0.8134(6) 0.055(2) Uani 1 1 d . . .
H3C H -0.0526 0.2498 0.8043 0.065 Uiso 1 1 calc R . .
C8 C 0.2796(8) 0.1106(3) 1.0678(6) 0.053(2) Uani 1 1 d . . .
H8A H 0.2444 0.0859 1.1072 0.064 Uiso 1 1 calc R . .
C9 C 0.3997(7) 0.1153(3) 1.0665(5) 0.0474(19) Uani 1 1 d . . .
H9A H 0.4485 0.0936 1.1048 0.057 Uiso 1 1 calc R . .
C17 C 0.7350(7) 0.3822(3) 0.8907(6) 0.051(2) Uani 1 1 d . . .
H17A H 0.8181 0.3844 0.8981 0.062 Uiso 1 1 calc R . .
C4 C 0.0811(6) 0.2150(3) 0.8786(5) 0.0470(19) Uani 1 1 d . . .
H4B H 0.0336 0.1936 0.9158 0.056 Uiso 1 1 calc R . .
C21 C 0.8491(8) 0.5729(3) 1.1656(6) 0.061(2) Uani 1 1 d . . .
H21A H 0.8069 0.6027 1.1856 0.074 Uiso 1 1 calc R . .
S2 S 0.83250(16) 0.12002(7) 0.07672(12) 0.0396(4) Uani 1 1 d . . .
F6 F 0.8580(5) 0.0353(2) 0.1762(4) 0.0844(17) Uani 1 1 d . . .
F5 F 0.9962(5) 0.0500(2) 0.0844(5) 0.103(2) Uani 1 1 d . . .
F4 F 0.8325(6) 0.0215(2) 0.0318(4) 0.0934(19) Uani 1 1 d . . .
C12 C 0.8826(8) 0.0537(3) 0.0946(6) 0.055(2) Uani 1 1 d . . .
O6 O 0.7107(5) 0.1172(3) 0.0851(6) 0.097(2) Uani 1 1 d . . .
O5 O 0.8888(8) 0.1469(3) 0.1487(5) 0.113(3) Uani 1 1 d . . .
O4 O 0.8693(8) 0.1319(3) -0.0136(5) 0.107(3) Uani 1 1 d . . .
N6 N 0.6136(4) 0.2286(2) 0.9122(4) 0.0316(13) Uani 1 1 d . . .
H6A H 0.6233 0.1937 0.9254 0.038 Uiso 1 1 calc R . .
H6B H 0.6570 0.2351 0.8610 0.038 Uiso 1 1 calc R . .
C25 C 0.6664(5) 0.2543(3) 0.9817(4) 0.0322(16) Uani 1 1 d . . .
C30 C 0.6027(6) 0.2874(3) 1.0411(4) 0.0374(16) Uani 1 1 d . . .
H30A H 0.5193 0.2879 1.0359 0.045 Uiso 1 1 calc R . .
C26 C 0.7916(6) 0.2515(3) 0.9977(5) 0.0433(19) Uani 1 1 d . . .
H26A H 0.8365 0.2279 0.9626 0.052 Uiso 1 1 calc R . .
C29 C 0.6585(7) 0.3181(3) 1.1047(5) 0.0454(19) Uani 1 1 d . A .
H29A H 0.6140 0.3409 1.1416 0.054 Uiso 1 1 calc R . .
C28 C 0.7826(8) 0.3167(3) 1.1172(5) 0.054(2) Uani 1 1 d . . .
C35 C 0.9316(7) 0.4747(3) 1.3706(6) 0.048(2) Uani 1 1 d . . .
H35A H 0.8896 0.5031 1.3957 0.058 Uiso 1 1 calc R . .
C27 C 0.8453(7) 0.2816(4) 1.0609(6) 0.060(3) Uani 1 1 d . A .
H27A H 0.9284 0.2796 1.0689 0.072 Uiso 1 1 calc R . .
C34 C 1.0483(7) 0.4679(3) 1.3932(5) 0.050(2) Uani 1 1 d . . .
H34A H 1.0871 0.4922 1.4335 0.060 Uiso 1 1 calc R . .
C36 C 0.8753(7) 0.4400(3) 1.3110(6) 0.055(2) Uani 1 1 d . . .
H36A H 0.7941 0.4438 1.2949 0.066 Uiso 1 1 calc R . .
C33 C 1.1083(8) 0.4281(4) 1.3601(6) 0.062(3) Uani 1 1 d . . .
H33A H 1.1888 0.4238 1.3783 0.074 Uiso 1 1 calc R . .
C23 C 1.0320(8) 0.5246(4) 1.1632(6) 0.059(2) Uani 1 1 d . . .
H23A H 1.1128 0.5216 1.1813 0.071 Uiso 1 1 calc R . .
C32 C 1.0561(13) 0.3931(4) 1.3000(7) 0.086(4) Uani 1 1 d . . .
H32A H 1.0994 0.3648 1.2759 0.103 Uiso 1 1 calc R . .
C31 C 0.9395(13) 0.4000(3) 1.2755(5) 0.072(3) Uani 1 1 d . . .
N7 N 0.8028(15) 0.3572(8) 1.1891(13) 0.035(4) Uani 0.55 1 d P A 1
N8 N 0.9200(10) 0.3586(4) 1.2098(8) 0.030(2) Uani 0.55 1 d P A 1
N7A N 0.8716(19) 0.3394(6) 1.1653(10) 0.041(4) Uani 0.45 1 d P A 2
N8A N 0.8323(19) 0.3742(8) 1.2151(14) 0.035(5) Uani 0.45 1 d P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
Pt1 N6 1.998(5) . ?
Pt1 N2 2.005(5) . ?
Pt1 N1 2.013(5) . ?
Pt1 N3 2.081(5) . ?
S1 O1 1.415(6) . ?
S1 O3 1.424(6) . ?
S1 O2 1.439(5) . ?
S1 C11 1.810(9) . ?
N1 C5 1.340(8) . ?
N1 C1 1.356(8) . ?
N2 C10 1.332(8) . ?
N2 C6 1.351(8) . ?
N3 C13 1.453(8) . ?
N3 H3A 0.9200 . ?
N3 H3B 0.9200 . ?
C5 C4 1.399(9) . ?
C5 C6 1.483(9) . ?
C6 C7 1.371(9) . ?
N5 N4 1.257(8) . ?
N5 C19 1.446(10) . ?
F3 C11 1.317(9) . ?
C10 C9 1.367(10) . ?
C10 H10A 0.9500 . ?
F2 C11 1.318(9) . ?
C14 C15 1.372(10) . ?
C14 C13 1.379(9) . ?
C14 H14A 0.9500 . ?
N4 C16 1.481(9) . ?
C13 C18 1.386(9) . ?
F1 C11 1.342(10) . ?
C19 C20 1.411(11) . ?
C19 C24 1.412(11) . ?
C15 C16 1.375(10) . ?
C15 H15A 0.9500 . ?
C2 C1 1.367(10) . ?
C2 C3 1.376(11) . ?
C2 H2B 0.9500 . ?
C1 H1A 0.9500 . ?
C18 C17 1.394(10) . ?
C18 H18A 0.9500 . ?
C16 C17 1.365(10) . ?
C7 C8 1.380(11) . ?
C7 H7A 0.9500 . ?
C20 C21 1.379(11) . ?
C20 H20A 0.9500 . ?
C24 C23 1.384(11) . ?
C24 H24A 0.9500 . ?
C22 C23 1.374(12) . ?
C22 C21 1.402(12) . ?
C22 H22A 0.9500 . ?
C3 C4 1.383(11) . ?
C3 H3C 0.9500 . ?
C8 C9 1.374(11) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C17 H17A 0.9500 . ?
C4 H4B 0.9500 . ?
C21 H21A 0.9500 . ?
S2 O5 1.385(6) . ?
S2 O6 1.397(6) . ?
S2 O4 1.419(6) . ?
S2 C12 1.808(9) . ?
F6 C12 1.309(9) . ?
F5 C12 1.310(9) . ?
F4 C12 1.339(10) . ?
N6 C25 1.327(8) . ?
N6 H6A 0.9200 . ?
N6 H6B 0.9200 . ?
C25 C30 1.424(9) . ?
C25 C26 1.437(9) . ?
C30 C29 1.351(9) . ?
C30 H30A 0.9500 . ?
C26 C27 1.328(11) . ?
C26 H26A 0.9500 . ?
C29 C28 1.418(11) . ?
C29 H29A 0.9500 . ?
C28 N7A 1.34(2) . ?
C28 C27 1.420(12) . ?
C28 N7 1.48(2) . ?
C35 C34 1.367(10) . ?
C35 C36 1.379(11) . ?
C35 H35A 0.9500 . ?
C27 H27A 0.9500 . ?
C34 C33 1.327(12) . ?
C34 H34A 0.9500 . ?
C36 C31 1.368(14) . ?
C36 H36A 0.9500 . ?
C33 C32 1.368(15) . ?
C33 H33A 0.9500 . ?
C23 H23A 0.9500 . ?
C32 C31 1.373(15) . ?
C32 H32A 0.9500 . ?
C31 N8 1.435(15) . ?
C31 N8A 1.62(2) . ?
N7 N8 1.358(19) . ?
N7A N8A 1.24(3) . ?

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
N6 Pt1 N2 95.6(2) . . ?
N6 Pt1 N1 175.9(2) . . ?
N2 Pt1 N1 80.7(2) . . ?
N6 Pt1 N3 85.4(2) . . ?
N2 Pt1 N3 178.9(2) . . ?
N1 Pt1 N3 98.3(2) . . ?
O1 S1 O3 116.7(5) . . ?
O1 S1 O2 115.3(3) . . ?
O3 S1 O2 111.4(4) . . ?
O1 S1 C11 105.0(4) . . ?
O3 S1 C11 101.6(4) . . ?
O2 S1 C11 104.8(4) . . ?
C5 N1 C1 118.5(5) . . ?
C5 N1 Pt1 114.0(4) . . ?
C1 N1 Pt1 127.4(4) . . ?
C10 N2 C6 119.0(6) . . ?
C10 N2 Pt1 125.1(4) . . ?
C6 N2 Pt1 115.9(4) . . ?
C13 N3 Pt1 113.7(4) . . ?
C13 N3 H3A 108.8 . . ?
Pt1 N3 H3A 108.8 . . ?
C13 N3 H3B 108.8 . . ?
Pt1 N3 H3B 108.8 . . ?
H3A N3 H3B 107.7 . . ?
N1 C5 C4 121.8(6) . . ?
N1 C5 C6 116.4(5) . . ?
C4 C5 C6 121.8(6) . . ?
N2 C6 C7 121.8(6) . . ?
N2 C6 C5 112.8(5) . . ?
C7 C6 C5 125.4(6) . . ?
N4 N5 C19 111.5(7) . . ?
N2 C10 C9 121.7(7) . . ?
N2 C10 H10A 119.1 . . ?
C9 C10 H10A 119.1 . . ?
C15 C14 C13 120.7(7) . . ?
C15 C14 H14A 119.6 . . ?
C13 C14 H14A 119.6 . . ?
N5 N4 C16 110.6(6) . . ?
C14 C13 C18 119.5(6) . . ?
C14 C13 N3 119.8(6) . . ?
C18 C13 N3 120.7(6) . . ?
C20 C19 C24 121.6(7) . . ?
C20 C19 N5 124.6(7) . . ?
C24 C19 N5 113.9(7) . . ?
C14 C15 C16 119.7(7) . . ?
C14 C15 H15A 120.1 . . ?
C16 C15 H15A 120.1 . . ?
C1 C2 C3 119.3(7) . . ?
C1 C2 H2B 120.4 . . ?
C3 C2 H2B 120.4 . . ?
N1 C1 C2 122.4(7) . . ?
N1 C1 H1A 118.8 . . ?
C2 C1 H1A 118.8 . . ?
C13 C18 C17 119.3(7) . . ?
C13 C18 H18A 120.3 . . ?
C17 C18 H18A 120.3 . . ?
C17 C16 C15 120.5(7) . . ?
C17 C16 N4 124.2(7) . . ?
C15 C16 N4 115.2(7) . . ?
C6 C7 C8 118.8(7) . . ?
C6 C7 H7A 120.6 . . ?
C8 C7 H7A 120.6 . . ?
F3 C11 F2 108.8(8) . . ?
F3 C11 F1 107.3(7) . . ?
F2 C11 F1 105.5(7) . . ?
F3 C11 S1 113.0(5) . . ?
F2 C11 S1 112.2(6) . . ?
F1 C11 S1 109.7(7) . . ?
C21 C20 C19 118.5(8) . . ?
C21 C20 H20A 120.8 . . ?
C19 C20 H20A 120.8 . . ?
C23 C24 C19 118.3(8) . . ?
C23 C24 H24A 120.8 . . ?
C19 C24 H24A 120.8 . . ?
C23 C22 C21 121.6(8) . . ?
C23 C22 H22A 119.2 . . ?
C21 C22 H22A 119.2 . . ?
C2 C3 C4 119.4(7) . . ?
C2 C3 H3C 120.3 . . ?
C4 C3 H3C 120.3 . . ?
C9 C8 C7 119.0(7) . . ?
C9 C8 H8A 120.5 . . ?
C7 C8 H8A 120.5 . . ?
C10 C9 C8 119.7(7) . . ?
C10 C9 H9A 120.1 . . ?
C8 C9 H9A 120.1 . . ?
C16 C17 C18 120.1(7) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C3 C4 C5 118.6(7) . . ?
C3 C4 H4B 120.7 . . ?
C5 C4 H4B 120.7 . . ?
C20 C21 C22 119.8(8) . . ?
C20 C21 H21A 120.1 . . ?
C22 C21 H21A 120.1 . . ?
O5 S2 O6 113.2(5) . . ?
O5 S2 O4 116.1(6) . . ?
O6 S2 O4 114.7(5) . . ?
O5 S2 C12 103.0(4) . . ?
O6 S2 C12 104.3(4) . . ?
O4 S2 C12 103.4(4) . . ?
F6 C12 F5 108.6(8) . . ?
F6 C12 F4 106.8(7) . . ?
F5 C12 F4 106.2(8) . . ?
F6 C12 S2 113.0(6) . . ?
F5 C12 S2 111.0(6) . . ?
F4 C12 S2 111.0(6) . . ?
C25 N6 Pt1 125.0(4) . . ?
C25 N6 H6A 106.1 . . ?
Pt1 N6 H6A 106.1 . . ?
C25 N6 H6B 106.1 . . ?
Pt1 N6 H6B 106.1 . . ?
H6A N6 H6B 106.3 . . ?
N6 C25 C30 121.7(6) . . ?
N6 C25 C26 121.2(6) . . ?
C30 C25 C26 117.1(6) . . ?
C29 C30 C25 121.3(7) . . ?
C29 C30 H30A 119.3 . . ?
C25 C30 H30A 119.3 . . ?
C27 C26 C25 120.8(8) . . ?
C27 C26 H26A 119.6 . . ?
C25 C26 H26A 119.6 . . ?
C30 C29 C28 120.9(8) . . ?
C30 C29 H29A 119.5 . . ?
C28 C29 H29A 119.5 . . ?
N7A C28 C29 141.8(12) . . ?
N7A C28 C27 100.7(11) . . ?
C29 C28 C27 117.4(7) . . ?
N7A C28 N7 40.3(9) . . ?
C29 C28 N7 101.6(10) . . ?
C27 C28 N7 141.0(10) . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 H35A 120.2 . . ?
C36 C35 H35A 120.2 . . ?
C26 C27 C28 122.2(7) . . ?
C26 C27 H27A 118.9 . . ?
C28 C27 H27A 118.9 . . ?
C33 C34 C35 121.3(8) . . ?
C33 C34 H34A 119.3 . . ?
C35 C34 H34A 119.3 . . ?
C31 C36 C35 118.3(8) . . ?
C31 C36 H36A 120.9 . . ?
C35 C36 H36A 120.9 . . ?
C34 C33 C32 121.0(9) . . ?
C34 C33 H33A 119.5 . . ?
C32 C33 H33A 119.5 . . ?
C22 C23 C24 120.2(9) . . ?
C22 C23 H23A 119.9 . . ?
C24 C23 H23A 119.9 . . ?
C33 C32 C31 118.3(8) . . ?
C33 C32 H32A 120.9 . . ?
C31 C32 H32A 120.9 . . ?
C36 C31 C32 121.6(8) . . ?
C36 C31 N8 136.8(12) . . ?
C32 C31 N8 101.6(11) . . ?
C36 C31 N8A 96.1(12) . . ?
C32 C31 N8A 142.2(13) . . ?
N8 C31 N8A 40.9(9) . . ?
N8 N7 C28 107.5(18) . . ?
N7 N8 C31 107.1(15) . . ?
N8A N7A C28 109(2) . . ?
N7A N8A C31 109(2) . . ?

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
N6 Pt1 N1 C5 -22(3) . . . . ?
N2 Pt1 N1 C5 3.9(4) . . . . ?
N3 Pt1 N1 C5 -176.5(4) . . . . ?
N6 Pt1 N1 C1 155(3) . . . . ?
N2 Pt1 N1 C1 -179.2(5) . . . . ?
N3 Pt1 N1 C1 0.4(5) . . . . ?
N6 Pt1 N2 C10 -4.2(5) . . . . ?
N1 Pt1 N2 C10 177.6(5) . . . . ?
N3 Pt1 N2 C10 155(11) . . . . ?
N6 Pt1 N2 C6 174.8(4) . . . . ?
N1 Pt1 N2 C6 -3.4(4) . . . . ?
N3 Pt1 N2 C6 -26(11) . . . . ?
N6 Pt1 N3 C13 -62.7(4) . . . . ?
N2 Pt1 N3 C13 138(11) . . . . ?
N1 Pt1 N3 C13 115.5(4) . . . . ?
C1 N1 C5 C4 -0.6(9) . . . . ?
Pt1 N1 C5 C4 176.7(5) . . . . ?
C1 N1 C5 C6 178.9(5) . . . . ?
Pt1 N1 C5 C6 -3.8(7) . . . . ?
C10 N2 C6 C7 0.8(9) . . . . ?
Pt1 N2 C6 C7 -178.3(5) . . . . ?
C10 N2 C6 C5 -178.6(5) . . . . ?
Pt1 N2 C6 C5 2.3(7) . . . . ?
N1 C5 C6 N2 1.0(8) . . . . ?
C4 C5 C6 N2 -179.4(6) . . . . ?
N1 C5 C6 C7 -178.4(6) . . . . ?
C4 C5 C6 C7 1.2(11) . . . . ?
C6 N2 C10 C9 -0.1(9) . . . . ?
Pt1 N2 C10 C9 178.8(5) . . . . ?
C19 N5 N4 C16 179.7(6) . . . . ?
C15 C14 C13 C18 -2.2(11) . . . . ?
C15 C14 C13 N3 175.0(6) . . . . ?
Pt1 N3 C13 C14 -73.5(7) . . . . ?
Pt1 N3 C13 C18 103.6(6) . . . . ?
N4 N5 C19 C20 10.2(11) . . . . ?
N4 N5 C19 C24 -169.8(7) . . . . ?
C13 C14 C15 C16 -0.3(11) . . . . ?
C5 N1 C1 C2 -0.3(9) . . . . ?
Pt1 N1 C1 C2 -177.2(5) . . . . ?
C3 C2 C1 N1 0.4(11) . . . . ?
C14 C13 C18 C17 4.6(11) . . . . ?
N3 C13 C18 C17 -172.6(7) . . . . ?
C14 C15 C16 C17 0.4(12) . . . . ?
C14 C15 C16 N4 -178.6(7) . . . . ?
N5 N4 C16 C17 -25.0(11) . . . . ?
N5 N4 C16 C15 153.9(7) . . . . ?
N2 C6 C7 C8 -0.7(11) . . . . ?
C5 C6 C7 C8 178.7(7) . . . . ?
O1 S1 C11 F3 179.0(7) . . . . ?
O3 S1 C11 F3 56.9(8) . . . . ?
O2 S1 C11 F3 -59.1(8) . . . . ?
O1 S1 C11 F2 55.5(7) . . . . ?
O3 S1 C11 F2 -66.5(7) . . . . ?
O2 S1 C11 F2 177.4(6) . . . . ?
O1 S1 C11 F1 -61.4(6) . . . . ?
O3 S1 C11 F1 176.6(6) . . . . ?
O2 S1 C11 F1 60.5(6) . . . . ?
C24 C19 C20 C21 1.5(13) . . . . ?
N5 C19 C20 C21 -178.5(8) . . . . ?
C20 C19 C24 C23 -1.6(12) . . . . ?
N5 C19 C24 C23 178.4(7) . . . . ?
C1 C2 C3 C4 0.4(11) . . . . ?
C6 C7 C8 C9 0.0(12) . . . . ?
N2 C10 C9 C8 -0.5(11) . . . . ?
C7 C8 C9 C10 0.6(12) . . . . ?
C15 C16 C17 C18 2.0(12) . . . . ?
N4 C16 C17 C18 -179.1(7) . . . . ?
C13 C18 C17 C16 -4.5(12) . . . . ?
C2 C3 C4 C5 -1.3(11) . . . . ?
N1 C5 C4 C3 1.4(11) . . . . ?
C6 C5 C4 C3 -178.1(7) . . . . ?
C19 C20 C21 C22 -0.4(14) . . . . ?
C23 C22 C21 C20 -0.7(14) . . . . ?
O5 S2 C12 F6 57.8(8) . . . . ?
O6 S2 C12 F6 -60.6(8) . . . . ?
O4 S2 C12 F6 179.1(7) . . . . ?
O5 S2 C12 F5 -64.4(8) . . . . ?
O6 S2 C12 F5 177.1(7) . . . . ?
O4 S2 C12 F5 56.9(8) . . . . ?
O5 S2 C12 F4 177.8(7) . . . . ?
O6 S2 C12 F4 59.3(7) . . . . ?
O4 S2 C12 F4 -61.0(7) . . . . ?
N2 Pt1 N6 C25 -89.7(5) . . . . ?
N1 Pt1 N6 C25 -64(3) . . . . ?
N3 Pt1 N6 C25 90.7(5) . . . . ?
Pt1 N6 C25 C30 6.8(9) . . . . ?
Pt1 N6 C25 C26 -170.4(5) . . . . ?
N6 C25 C30 C29 -172.1(6) . . . . ?
C26 C25 C30 C29 5.2(10) . . . . ?
N6 C25 C26 C27 172.7(7) . . . . ?
C30 C25 C26 C27 -4.7(10) . . . . ?
C25 C30 C29 C28 -2.7(11) . . . . ?
C30 C29 C28 N7A 176.8(13) . . . . ?
C30 C29 C28 C27 -0.5(11) . . . . ?
C30 C29 C28 N7 177.8(9) . . . . ?
C25 C26 C27 C28 1.7(11) . . . . ?
N7A C28 C27 C26 -177.3(9) . . . . ?
C29 C28 C27 C26 1.1(12) . . . . ?
N7 C28 C27 C26 -176.4(13) . . . . ?
C36 C35 C34 C33 -1.0(13) . . . . ?
C34 C35 C36 C31 -0.7(12) . . . . ?
C35 C34 C33 C32 1.7(13) . . . . ?
C21 C22 C23 C24 0.7(14) . . . . ?
C19 C24 C23 C22 0.5(12) . . . . ?
C34 C33 C32 C31 -0.6(13) . . . . ?
C35 C36 C31 C32 1.9(13) . . . . ?
C35 C36 C31 N8 -175.5(10) . . . . ?
C35 C36 C31 N8A 179.7(10) . . . . ?
C33 C32 C31 C36 -1.2(13) . . . . ?
C33 C32 C31 N8 176.9(8) . . . . ?
C33 C32 C31 N8A -177.7(15) . . . . ?
N7A C28 N7 N8 -2.9(11) . . . . ?
C29 C28 N7 N8 178.1(10) . . . . ?
C27 C28 N7 N8 -4(2) . . . . ?
C28 N7 N8 C31 176.7(9) . . . . ?
C36 C31 N8 N7 -10.0(16) . . . . ?
C32 C31 N8 N7 172.3(10) . . . . ?
N8A C31 N8 N7 -2.6(17) . . . . ?
C29 C28 N7A N8A -2(2) . . . . ?
C27 C28 N7A N8A 175.9(14) . . . . ?
N7 C28 N7A N8A -3.3(19) . . . . ?
C28 N7A N8A C31 178.1(11) . . . . ?
C36 C31 N8A N7A 171.8(15) . . . . ?
C32 C31 N8A N7A -11(3) . . . . ?
N8 C31 N8A N7A -3.1(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.08
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.094
_refine_diff_density_min         -1.929
_refine_diff_density_rms         0.116
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.013 0.653 0.055 10 1 ' '
2 0.047 0.952 0.248 113 36 ' '
3 -0.048 0.048 0.752 113 36 ' '
4 0.013 0.347 0.945 10 1 ' '
5 0.452 0.452 0.252 113 36 ' '
6 0.547 0.548 0.748 113 36 ' '
7 0.487 0.847 0.555 10 1 ' '
8 0.513 0.153 0.445 10 1 ' '
_platon_squeeze_details          
;
;

#===END

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2a
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnl8
_database_code_depnum_ccdc_archive 'CCDC 1472890'
_audit_update_record             
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H20 N5 Pt, F6 P'
_chemical_formula_sum            'C22 H20 F6 N5 P Pt'
_chemical_formula_weight         694.49

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'
F F 0.0171 0.0103 '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'
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'

_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'
'-x, -y, -z'

_cell_length_a                   10.325(2)
_cell_length_b                   10.666(2)
_cell_length_c                   11.957(2)
_cell_angle_alpha                89.55(3)
_cell_angle_beta                 66.98(3)
_cell_angle_gamma                73.46(3)
_cell_volume                     1153.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5225
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      27.55

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             668
_exptl_absorpt_coefficient_mu    6.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3550
_exptl_absorpt_correction_T_max  0.4006
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9710
_diffrn_reflns_av_R_equivalents  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         27.55
_reflns_number_total             5225
_reflns_number_gt                4573
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC

_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 > 2sigma(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)+(0.0602P)²+0.0000P] 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_number_reflns         5225
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.1046
_refine_ls_wR_factor_gt          0.0832
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_restrained_S_all      1.155
_refine_ls_shift/su_max          0.001
_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
Pt1 Pt 0.25799(2) 0.214892(19) 0.088525(18) 0.02302(9) Uani 1 1 d . . .
N1 N 0.4333(5) 0.2101(5) 0.1422(5) 0.0261(10) Uani 1 1 d . . .
N2 N 0.4363(5) 0.1541(5) -0.0752(4) 0.0241(10) Uani 1 1 d . . .
N3 N 0.0854(5) 0.2817(5) 0.2530(4) 0.0224(10) Uani 1 1 d . . .
N4 N -0.2889(5) 0.4355(5) 0.5832(4) 0.0258(10) Uani 1 1 d . . .
N5 N -0.3968(5) 0.3940(5) 0.5966(4) 0.0281(11) Uani 1 1 d . . .
C1 C 0.4208(7) 0.2315(6) 0.2579(6) 0.0305(13) Uani 1 1 d . . .
H1A H 0.3274 0.2582 0.3217 0.037 Uiso 1 1 calc R . .
C2 C 0.5446(7) 0.2145(6) 0.2834(6) 0.0355(14) Uani 1 1 d . . .
H2A H 0.5342 0.2282 0.3635 0.043 Uiso 1 1 calc R . .
C3 C 0.6828(7) 0.1770(7) 0.1887(7) 0.0393(15) Uani 1 1 d . . .
H3A H 0.7665 0.1660 0.2044 0.047 Uiso 1 1 calc R . .
C4 C 0.6966(7) 0.1557(6) 0.0687(6) 0.0344(14) Uani 1 1 d . . .
H4B H 0.7889 0.1314 0.0035 0.041 Uiso 1 1 calc R . .
C5 C 0.5689(6) 0.1719(5) 0.0493(6) 0.0265(12) Uani 1 1 d . . .
C6 C 0.5711(6) 0.1459(5) -0.0740(5) 0.0263(12) Uani 1 1 d . . .
C7 C 0.6966(7) 0.1132(6) -0.1808(6) 0.0327(14) Uani 1 1 d . . .
H7A H 0.7868 0.1103 -0.1792 0.039 Uiso 1 1 calc R . .
C8 C 0.6896(7) 0.0840(7) -0.2926(6) 0.0361(15) Uani 1 1 d . . .
H8A H 0.7741 0.0613 -0.3652 0.043 Uiso 1 1 calc R . .
C9 C 0.5540(7) 0.0902(6) -0.2911(6) 0.0350(14) Uani 1 1 d . . .
H9A H 0.5457 0.0707 -0.3633 0.042 Uiso 1 1 calc R . .
C10 C 0.4296(7) 0.1256(5) -0.1813(6) 0.0291(13) Uani 1 1 d . . .
H10A H 0.3385 0.1297 -0.1815 0.035 Uiso 1 1 calc R . .
C11 C 0.0490(6) 0.4063(6) 0.3051(5) 0.0256(12) Uani 1 1 d . . .
H11A H 0.1086 0.4583 0.2671 0.031 Uiso 1 1 calc R . .
C12 C -0.0737(6) 0.4583(5) 0.4128(5) 0.0254(12) Uani 1 1 d . . .
H12A H -0.0960 0.5437 0.4472 0.031 Uiso 1 1 calc R . .
C13 C -0.1638(6) 0.3806(6) 0.4692(5) 0.0256(12) Uani 1 1 d . . .
C14 C -0.1281(6) 0.2524(6) 0.4174(5) 0.0272(12) Uani 1 1 d . . .
H14A H -0.1868 0.1991 0.4537 0.033 Uiso 1 1 calc R . .
C15 C -0.0019(6) 0.2069(6) 0.3096(5) 0.0253(12) Uani 1 1 d . . .
H15A H 0.0239 0.1210 0.2748 0.030 Uiso 1 1 calc R . .
C16 C -0.5186(6) 0.4388(6) 0.7126(6) 0.0284(12) Uani 1 1 d . . .
C17 C -0.6559(7) 0.4373(7) 0.7193(7) 0.0371(15) Uani 1 1 d . . .
H17A H -0.6646 0.4087 0.6500 0.044 Uiso 1 1 calc R . .
C18 C -0.7812(7) 0.4788(7) 0.8304(6) 0.0401(16) Uani 1 1 d . . .
H18A H -0.8736 0.4809 0.8345 0.048 Uiso 1 1 calc R . .
C19 C -0.7658(7) 0.5161(7) 0.9325(6) 0.0389(16) Uani 1 1 d . . .
H19A H -0.8482 0.5424 1.0065 0.047 Uiso 1 1 calc R . .
C20 C -0.6285(7) 0.5153(7) 0.9273(6) 0.0378(15) Uani 1 1 d . . .
H20A H -0.6202 0.5402 0.9979 0.045 Uiso 1 1 calc R . .
C21 C -0.5046(7) 0.4778(6) 0.8184(6) 0.0319(14) Uani 1 1 d . . .
H21A H -0.4132 0.4784 0.8151 0.038 Uiso 1 1 calc R . .
C22 C 0.1027(6) 0.2072(6) 0.0213(6) 0.0308(13) Uani 1 1 d . . .
H22A H 0.0060 0.2334 0.0869 0.046 Uiso 1 1 calc R . .
H22B H 0.1250 0.1190 -0.0136 0.046 Uiso 1 1 calc R . .
H22C H 0.1053 0.2658 -0.0403 0.046 Uiso 1 1 calc R . .
P1 P 0.11354(17) 0.14912(15) 0.64273(14) 0.0271(3) Uani 1 1 d . . .
F1 F 0.0543(5) 0.0871(4) 0.7697(3) 0.0446(10) Uani 1 1 d . . .
F2 F 0.1708(5) 0.2099(4) 0.5152(4) 0.0470(10) Uani 1 1 d . . .
F3 F -0.0367(5) 0.2702(4) 0.6924(4) 0.0535(11) Uani 1 1 d . . .
F4 F 0.0368(5) 0.0680(4) 0.5887(4) 0.0484(10) Uani 1 1 d . . .
F5 F 0.2610(5) 0.0270(4) 0.5927(4) 0.0616(13) Uani 1 1 d . . .
F6 F 0.1897(6) 0.2284(5) 0.6954(4) 0.0644(13) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds 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
Pt1 N3 2.027(5) . ?
Pt1 N2 2.040(5) . ?
Pt1 C22 2.075(6) . ?
Pt1 N1 2.132(5) . ?
N1 C5 1.352(7) . ?
N1 C1 1.352(8) . ?
N2 C10 1.340(8) . ?
N2 C6 1.375(7) . ?
N3 C15 1.353(7) . ?
N3 C11 1.358(7) . ?
N4 N5 1.266(7) . ?
N4 C13 1.440(7) . ?
N5 C16 1.427(7) . ?
C1 C2 1.389(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.377(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.399(9) . ?
C3 H3A 0.9300 . ?
C4 C5 1.389(8) . ?
C4 H4B 0.9300 . ?
C5 C6 1.492(8) . ?
C6 C7 1.374(8) . ?
C7 C8 1.409(9) . ?
C7 H7A 0.9300 . ?
C8 C9 1.375(9) . ?
C8 H8A 0.9300 . ?
C9 C10 1.389(8) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.380(8) . ?
C11 H11A 0.9300 . ?
C12 C13 1.395(8) . ?
C12 H12A 0.9300 . ?
C13 C14 1.392(8) . ?
C14 C15 1.390(8) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C16 C17 1.393(9) . ?
C16 C21 1.407(9) . ?
C17 C18 1.405(9) . ?
C17 H17A 0.9300 . ?
C18 C19 1.367(10) . ?
C18 H18A 0.9300 . ?
C19 C20 1.391(10) . ?
C19 H19A 0.9300 . ?
C20 C21 1.380(9) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
P1 F6 1.583(4) . ?
P1 F5 1.595(4) . ?
P1 F3 1.606(4) . ?
P1 F2 1.610(4) . ?
P1 F4 1.610(4) . ?
P1 F1 1.614(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
N3 Pt1 N2 177.19(17) . . ?
N3 Pt1 C22 86.5(2) . . ?
N2 Pt1 C22 95.7(2) . . ?
N3 Pt1 N1 98.78(19) . . ?
N2 Pt1 N1 79.11(19) . . ?
C22 Pt1 N1 174.43(19) . . ?
C5 N1 C1 119.4(5) . . ?
C5 N1 Pt1 114.0(4) . . ?
C1 N1 Pt1 126.3(4) . . ?
C10 N2 C6 119.1(5) . . ?
C10 N2 Pt1 124.8(4) . . ?
C6 N2 Pt1 116.1(4) . . ?
C15 N3 C11 118.3(5) . . ?
C15 N3 Pt1 121.2(4) . . ?
C11 N3 Pt1 120.4(4) . . ?
N5 N4 C13 112.4(5) . . ?
N4 N5 C16 113.8(5) . . ?
N1 C1 C2 121.4(6) . . ?
N1 C1 H1A 119.3 . . ?
C2 C1 H1A 119.3 . . ?
C3 C2 C1 119.3(6) . . ?
C3 C2 H2A 120.3 . . ?
C1 C2 H2A 120.3 . . ?
C2 C3 C4 119.7(6) . . ?
C2 C3 H3A 120.2 . . ?
C4 C3 H3A 120.2 . . ?
C5 C4 C3 118.3(6) . . ?
C5 C4 H4B 120.8 . . ?
C3 C4 H4B 120.8 . . ?
N1 C5 C4 121.9(6) . . ?
N1 C5 C6 115.2(5) . . ?
C4 C5 C6 122.9(5) . . ?
C7 C6 N2 120.5(6) . . ?
C7 C6 C5 124.2(5) . . ?
N2 C6 C5 115.3(5) . . ?
C6 C7 C8 120.4(6) . . ?
C6 C7 H7A 119.8 . . ?
C8 C7 H7A 119.8 . . ?
C9 C8 C7 118.1(6) . . ?
C9 C8 H8A 121.0 . . ?
C7 C8 H8A 121.0 . . ?
C8 C9 C10 119.6(6) . . ?
C8 C9 H9A 120.2 . . ?
C10 C9 H9A 120.2 . . ?
N2 C10 C9 122.3(6) . . ?
N2 C10 H10A 118.9 . . ?
C9 C10 H10A 118.9 . . ?
N3 C11 C12 122.1(5) . . ?
N3 C11 H11A 119.0 . . ?
C12 C11 H11A 119.0 . . ?
C11 C12 C13 119.0(5) . . ?
C11 C12 H12A 120.5 . . ?
C13 C12 H12A 120.5 . . ?
C14 C13 C12 119.9(5) . . ?
C14 C13 N4 122.1(5) . . ?
C12 C13 N4 118.0(5) . . ?
C15 C14 C13 117.7(5) . . ?
C15 C14 H14A 121.2 . . ?
C13 C14 H14A 121.2 . . ?
N3 C15 C14 123.1(5) . . ?
N3 C15 H15A 118.4 . . ?
C14 C15 H15A 118.4 . . ?
C17 C16 C21 119.9(6) . . ?
C17 C16 N5 116.6(6) . . ?
C21 C16 N5 123.5(5) . . ?
C16 C17 C18 120.1(6) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C19 C18 C17 119.3(6) . . ?
C19 C18 H18A 120.4 . . ?
C17 C18 H18A 120.4 . . ?
C18 C19 C20 120.9(6) . . ?
C18 C19 H19A 119.5 . . ?
C20 C19 H19A 119.5 . . ?
C21 C20 C19 120.7(6) . . ?
C21 C20 H20A 119.6 . . ?
C19 C20 H20A 119.6 . . ?
C20 C21 C16 119.0(6) . . ?
C20 C21 H21A 120.5 . . ?
C16 C21 H21A 120.5 . . ?
Pt1 C22 H22A 109.5 . . ?
Pt1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Pt1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
F6 P1 F5 90.5(3) . . ?
F6 P1 F3 90.6(3) . . ?
F5 P1 F3 178.8(3) . . ?
F6 P1 F2 89.7(2) . . ?
F5 P1 F2 90.1(2) . . ?
F3 P1 F2 90.1(2) . . ?
F6 P1 F4 179.7(3) . . ?
F5 P1 F4 89.2(3) . . ?
F3 P1 F4 89.6(3) . . ?
F2 P1 F4 90.1(2) . . ?
F6 P1 F1 91.3(2) . . ?
F5 P1 F1 90.1(2) . . ?
F3 P1 F1 89.7(2) . . ?
F2 P1 F1 178.9(2) . . ?
F4 P1 F1 88.8(2) . . ?

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
N3 Pt1 N1 C5 -178.1(4) . . . . ?
N2 Pt1 N1 C5 0.0(4) . . . . ?
C22 Pt1 N1 C5 21(2) . . . . ?
N3 Pt1 N1 C1 7.1(5) . . . . ?
N2 Pt1 N1 C1 -174.8(5) . . . . ?
C22 Pt1 N1 C1 -154(2) . . . . ?
N3 Pt1 N2 C10 -139(3) . . . . ?
C22 Pt1 N2 C10 0.9(5) . . . . ?
N1 Pt1 N2 C10 178.9(5) . . . . ?
N3 Pt1 N2 C6 39(4) . . . . ?
C22 Pt1 N2 C6 179.2(4) . . . . ?
N1 Pt1 N2 C6 -2.8(4) . . . . ?
N2 Pt1 N3 C15 -157(3) . . . . ?
C22 Pt1 N3 C15 62.1(5) . . . . ?
N1 Pt1 N3 C15 -116.1(4) . . . . ?
N2 Pt1 N3 C11 27(4) . . . . ?
C22 Pt1 N3 C11 -113.7(5) . . . . ?
N1 Pt1 N3 C11 68.1(4) . . . . ?
C13 N4 N5 C16 175.5(5) . . . . ?
C5 N1 C1 C2 -0.3(9) . . . . ?
Pt1 N1 C1 C2 174.2(4) . . . . ?
N1 C1 C2 C3 1.1(10) . . . . ?
C1 C2 C3 C4 -0.5(10) . . . . ?
C2 C3 C4 C5 -0.7(10) . . . . ?
C1 N1 C5 C4 -1.0(8) . . . . ?
Pt1 N1 C5 C4 -176.2(4) . . . . ?
C1 N1 C5 C6 177.8(5) . . . . ?
Pt1 N1 C5 C6 2.6(6) . . . . ?
C3 C4 C5 N1 1.5(9) . . . . ?
C3 C4 C5 C6 -177.1(5) . . . . ?
C10 N2 C6 C7 2.2(8) . . . . ?
Pt1 N2 C6 C7 -176.3(4) . . . . ?
C10 N2 C6 C5 -176.7(5) . . . . ?
Pt1 N2 C6 C5 4.9(6) . . . . ?
N1 C5 C6 C7 176.3(5) . . . . ?
C4 C5 C6 C7 -4.9(9) . . . . ?
N1 C5 C6 N2 -4.9(7) . . . . ?
C4 C5 C6 N2 173.8(5) . . . . ?
N2 C6 C7 C8 -1.8(9) . . . . ?
C5 C6 C7 C8 176.9(5) . . . . ?
C6 C7 C8 C9 0.4(9) . . . . ?
C7 C8 C9 C10 0.6(9) . . . . ?
C6 N2 C10 C9 -1.2(8) . . . . ?
Pt1 N2 C10 C9 177.1(4) . . . . ?
C8 C9 C10 N2 -0.2(9) . . . . ?
C15 N3 C11 C12 -0.4(8) . . . . ?
Pt1 N3 C11 C12 175.5(4) . . . . ?
N3 C11 C12 C13 -0.6(9) . . . . ?
C11 C12 C13 C14 0.7(9) . . . . ?
C11 C12 C13 N4 178.3(5) . . . . ?
N5 N4 C13 C14 -34.7(8) . . . . ?
N5 N4 C13 C12 147.7(5) . . . . ?
C12 C13 C14 C15 0.0(9) . . . . ?
N4 C13 C14 C15 -177.5(5) . . . . ?
C11 N3 C15 C14 1.1(9) . . . . ?
Pt1 N3 C15 C14 -174.7(4) . . . . ?
C13 C14 C15 N3 -0.9(9) . . . . ?
N4 N5 C16 C17 158.3(6) . . . . ?
N4 N5 C16 C21 -24.5(8) . . . . ?
C21 C16 C17 C18 2.1(10) . . . . ?
N5 C16 C17 C18 179.5(6) . . . . ?
C16 C17 C18 C19 -2.3(10) . . . . ?
C17 C18 C19 C20 1.0(11) . . . . ?
C18 C19 C20 C21 0.6(11) . . . . ?
C19 C20 C21 C16 -0.8(10) . . . . ?
C17 C16 C21 C20 -0.6(9) . . . . ?
N5 C16 C21 C20 -177.8(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.55
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.369
_refine_diff_density_min         -2.205
_refine_diff_density_rms         0.302
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnpc
_database_code_depnum_ccdc_archive 'CCDC 1472893'
_audit_update_record             
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H17 Cl F6 N5 P Pt'
_chemical_formula_weight         714.91
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'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.4893(19)
_cell_length_b                   11.238(4)
_cell_length_c                   16.296(5)
_cell_angle_alpha                94.066(12)
_cell_angle_beta                 92.349(10)
_cell_angle_gamma                103.502(8)
_cell_volume                     1150.6(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9828
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      31.85
_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.063
_exptl_crystal_F_000             684
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.234
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.035
_exptl_absorpt_coefficient_mu    6.353
_shelx_estimated_absorpt_T_min   0.318
_shelx_estimated_absorpt_T_max   0.808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5577
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            61805
_diffrn_reflns_av_unetI/netI     0.0535
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.004
_diffrn_reflns_theta_max         36.021
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.886
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.886
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             9692
_reflns_number_gt                7719
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SIR92
_computing_structure_refinement  SHELXL-2014
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0317P)²+1.4408P] 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_number_reflns         9692
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_ref         0.0707
_refine_ls_wR_factor_gt          0.0650
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.21633(2) 0.51117(2) 0.23555(2) 0.01813(4) Uani 1 1 d . . . . .
Cl1 Cl -0.01520(12) 0.47002(8) 0.12157(5) 0.02874(16) Uani 1 1 d . . . . .
N1 N 0.1498(4) 0.6714(2) 0.27364(16) 0.0192(5) Uani 1 1 d . . . . .
N2 N 0.4283(4) 0.5616(2) 0.33231(16) 0.0206(5) Uani 1 1 d . . . . .
N3 N 0.2893(4) 0.3502(2) 0.20287(16) 0.0214(5) Uani 1 1 d . . . . .
C1 C -0.0124(5) 0.7150(3) 0.2432(2) 0.0243(6) Uani 1 1 d . . . . .
H1 H -0.1057 0.6679 0.2001 0.029 Uiso 1 1 calc R U . . .
C2 C -0.0451(6) 0.8263(3) 0.2734(2) 0.0289(7) Uani 1 1 d . . . . .
H2 H -0.1612 0.8550 0.2519 0.035 Uiso 1 1 calc R U . . .
C3 C 0.0928(6) 0.8959(3) 0.3353(2) 0.0312(7) Uani 1 1 d . . . . .
H3 H 0.0736 0.9735 0.3559 0.037 Uiso 1 1 calc R U . . .
C4 C 0.2591(6) 0.8515(3) 0.3669(2) 0.0278(7) Uani 1 1 d . . . . .
H4 H 0.3552 0.8979 0.4094 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2824(5) 0.7373(3) 0.33505(19) 0.0211(6) Uani 1 1 d . . . . .
C6 C 0.4427(5) 0.6777(3) 0.36784(19) 0.0209(6) Uani 1 1 d . . . . .
C7 C 0.5948(5) 0.7279(3) 0.4301(2) 0.0277(7) Uani 1 1 d . . . . .
H7 H 0.6059 0.8091 0.4537 0.033 Uiso 1 1 calc R U . . .
C8 C 0.7320(6) 0.6596(4) 0.4585(2) 0.0323(8) Uani 1 1 d . . . . .
H8 H 0.8375 0.6933 0.5014 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7121(6) 0.5416(4) 0.4231(2) 0.0337(8) Uani 1 1 d . . . . .
H9 H 0.8029 0.4928 0.4419 0.040 Uiso 1 1 calc R U . . .
C10 C 0.5607(6) 0.4959(3) 0.3608(2) 0.0287(7) Uani 1 1 d . . . . .
H10 H 0.5485 0.4148 0.3368 0.034 Uiso 1 1 calc R U . . .
C11 C 0.1447(6) 0.2447(3) 0.2110(2) 0.0288(7) Uani 1 1 d . . . . .
H11 H 0.0132 0.2486 0.2334 0.035 Uiso 1 1 calc R U . . .
C12 C 0.1812(6) 0.1316(3) 0.1881(2) 0.0310(7) Uani 1 1 d . . . . .
H12 H 0.0766 0.0585 0.1943 0.037 Uiso 1 1 calc R U . . .
C13 C 0.3724(6) 0.1262(3) 0.1559(2) 0.0278(7) Uani 1 1 d . . . . .
C14 C 0.5220(5) 0.2348(4) 0.1466(2) 0.0321(8) Uani 1 1 d . . . . .
H14 H 0.6542 0.2327 0.1242 0.039 Uiso 1 1 calc R U . . .
C15 C 0.4754(5) 0.3455(3) 0.1702(2) 0.0272(7) Uani 1 1 d . . . . .
H15 H 0.5762 0.4198 0.1632 0.033 Uiso 1 1 calc R U . . .
N4 N 0.3985(5) 0.0049(3) 0.13290(19) 0.0303(6) Uani 1 1 d . . . . .
N5 N 0.5774(5) 0.0075(3) 0.10812(18) 0.0312(6) Uani 1 1 d . . . . .
C16 C 0.6082(5) -0.1132(3) 0.0842(2) 0.0252(6) Uani 1 1 d . . . . .
C17 C 0.4615(6) -0.2249(3) 0.0891(2) 0.0327(8) Uani 1 1 d . . . . .
H17 H 0.3262 -0.2271 0.1100 0.039 Uiso 1 1 calc R U . . .
C18 C 0.5173(7) -0.3320(3) 0.0629(3) 0.0395(9) Uani 1 1 d . . . . .
H18 H 0.4194 -0.4086 0.0661 0.047 Uiso 1 1 calc R U . . .
C19 C 0.7141(7) -0.3295(3) 0.0320(2) 0.0350(8) Uani 1 1 d . . . . .
H19 H 0.7495 -0.4039 0.0134 0.042 Uiso 1 1 calc R U . . .
C20 C 0.8574(6) -0.2190(4) 0.0285(2) 0.0326(8) Uani 1 1 d . . . . .
H20 H 0.9933 -0.2168 0.0081 0.039 Uiso 1 1 calc R U . . .
C21 C 0.8041(6) -0.1114(3) 0.0545(2) 0.0307(7) Uani 1 1 d . . . . .
H21 H 0.9037 -0.0352 0.0518 0.037 Uiso 1 1 calc R U . . .
P1 P 0.73335(13) 0.15924(8) 0.38132(5) 0.02536(17) Uani 1 1 d . . . . .
F1 F 0.9837(3) 0.17009(19) 0.38244(13) 0.0334(5) Uani 1 1 d . . . . .
F2 F 0.7082(4) 0.0495(2) 0.44019(14) 0.0423(5) Uani 1 1 d . . . . .
F3 F 0.7019(4) 0.0629(2) 0.30237(14) 0.0432(6) Uani 1 1 d . . . . .
F4 F 0.7694(3) 0.25753(19) 0.46007(12) 0.0306(4) Uani 1 1 d . . . . .
F5 F 0.7585(4) 0.2693(2) 0.32265(14) 0.0412(5) Uani 1 1 d . . . . .
F6 F 0.4843(3) 0.1487(2) 0.38033(16) 0.0476(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
Pt1 N2 2.008(3) . ?
Pt1 N1 2.010(3) . ?
Pt1 N3 2.016(3) . ?
Pt1 Cl1 2.2904(10) . ?
N1 C5 1.348(4) . ?
N1 C1 1.351(4) . ?
N2 C10 1.346(4) . ?
N2 C6 1.370(4) . ?
N3 C11 1.348(4) . ?
N3 C15 1.351(4) . ?
C1 C2 1.377(5) . ?
C1 H1 0.9500 . ?
C2 C3 1.385(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.393(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.466(4) . ?
C6 C7 1.379(5) . ?
C7 C8 1.389(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.383(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.367(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.376(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(5) . ?
C13 N4 1.438(5) . ?
C14 C15 1.379(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
N4 N5 1.239(4) . ?
N5 C16 1.444(4) . ?
C16 C21 1.376(5) . ?
C16 C17 1.397(5) . ?
C17 C18 1.380(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.386(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.373(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.377(5) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
P1 F6 1.592(2) . ?
P1 F3 1.596(2) . ?
P1 F2 1.598(2) . ?
P1 F5 1.599(2) . ?
P1 F1 1.600(2) . ?
P1 F4 1.605(2) . ?

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
N2 Pt1 N1 80.73(10) . . ?
N2 Pt1 N3 96.69(10) . . ?
N1 Pt1 N3 177.22(10) . . ?
N2 Pt1 Cl1 175.13(8) . . ?
N1 Pt1 Cl1 96.09(8) . . ?
N3 Pt1 Cl1 86.55(8) . . ?
C5 N1 C1 119.8(3) . . ?
C5 N1 Pt1 114.68(19) . . ?
C1 N1 Pt1 125.6(2) . . ?
C10 N2 C6 119.0(3) . . ?
C10 N2 Pt1 126.3(2) . . ?
C6 N2 Pt1 114.5(2) . . ?
C11 N3 C15 119.3(3) . . ?
C11 N3 Pt1 118.9(2) . . ?
C15 N3 Pt1 121.8(2) . . ?
N1 C1 C2 121.3(3) . . ?
N1 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C1 C2 C3 119.4(3) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 118.6(3) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 121.4(3) . . ?
N1 C5 C6 115.4(3) . . ?
C4 C5 C6 123.2(3) . . ?
N2 C6 C7 120.5(3) . . ?
N2 C6 C5 114.1(3) . . ?
C7 C6 C5 125.4(3) . . ?
C6 C7 C8 119.9(3) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 118.7(3) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C10 C9 C8 119.4(3) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
N2 C10 C9 122.3(3) . . ?
N2 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
N3 C11 C12 122.1(3) . . ?
N3 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C13 118.8(3) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C12 C13 C14 119.4(3) . . ?
C12 C13 N4 115.6(3) . . ?
C14 C13 N4 125.0(3) . . ?
C15 C14 C13 119.1(3) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N3 C15 C14 121.3(3) . . ?
N3 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
N5 N4 C13 111.7(3) . . ?
N4 N5 C16 113.0(3) . . ?
C21 C16 C17 120.1(3) . . ?
C21 C16 N5 113.6(3) . . ?
C17 C16 N5 126.3(3) . . ?
C18 C17 C16 118.5(3) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 H17 120.7 . . ?
C17 C18 C19 121.1(4) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C20 C19 C18 119.6(3) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 119.9(3) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C16 C21 C20 120.7(3) . . ?
C16 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
F6 P1 F3 90.74(13) . . ?
F6 P1 F2 90.13(14) . . ?
F3 P1 F2 90.11(14) . . ?
F6 P1 F5 89.85(14) . . ?
F3 P1 F5 90.05(13) . . ?
F2 P1 F5 179.83(14) . . ?
F6 P1 F1 179.86(16) . . ?
F3 P1 F1 89.39(12) . . ?
F2 P1 F1 89.92(13) . . ?
F5 P1 F1 90.11(12) . . ?
F6 P1 F4 90.20(12) . . ?
F3 P1 F4 178.87(14) . . ?
F2 P1 F4 90.51(12) . . ?
F5 P1 F4 89.32(12) . . ?
F1 P1 F4 89.67(11) . . ?

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
C5 N1 C1 C2 0.3(5) . . . . ?
Pt1 N1 C1 C2 -179.9(2) . . . . ?
N1 C1 C2 C3 1.0(5) . . . . ?
C1 C2 C3 C4 -1.2(5) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C1 N1 C5 C4 -1.5(5) . . . . ?
Pt1 N1 C5 C4 178.7(2) . . . . ?
C1 N1 C5 C6 175.5(3) . . . . ?
Pt1 N1 C5 C6 -4.3(3) . . . . ?
C3 C4 C5 N1 1.3(5) . . . . ?
C3 C4 C5 C6 -175.5(3) . . . . ?
C10 N2 C6 C7 2.0(5) . . . . ?
Pt1 N2 C6 C7 -174.3(2) . . . . ?
C10 N2 C6 C5 -176.5(3) . . . . ?
Pt1 N2 C6 C5 7.2(3) . . . . ?
N1 C5 C6 N2 -1.9(4) . . . . ?
C4 C5 C6 N2 175.0(3) . . . . ?
N1 C5 C6 C7 179.6(3) . . . . ?
C4 C5 C6 C7 -3.4(5) . . . . ?
N2 C6 C7 C8 -1.4(5) . . . . ?
C5 C6 C7 C8 177.0(3) . . . . ?
C6 C7 C8 C9 0.0(6) . . . . ?
C7 C8 C9 C10 0.8(6) . . . . ?
C6 N2 C10 C9 -1.2(5) . . . . ?
Pt1 N2 C10 C9 174.6(3) . . . . ?
C8 C9 C10 N2 -0.2(6) . . . . ?
C15 N3 C11 C12 0.9(5) . . . . ?
Pt1 N3 C11 C12 178.3(3) . . . . ?
N3 C11 C12 C13 0.2(5) . . . . ?
C11 C12 C13 C14 -0.8(5) . . . . ?
C11 C12 C13 N4 -179.6(3) . . . . ?
C12 C13 C14 C15 0.3(5) . . . . ?
N4 C13 C14 C15 179.0(3) . . . . ?
C11 N3 C15 C14 -1.4(5) . . . . ?
Pt1 N3 C15 C14 -178.7(3) . . . . ?
C13 C14 C15 N3 0.8(5) . . . . ?
C12 C13 N4 N5 -177.0(3) . . . . ?
C14 C13 N4 N5 4.3(5) . . . . ?
C13 N4 N5 C16 -179.8(3) . . . . ?
N4 N5 C16 C21 178.3(3) . . . . ?
N4 N5 C16 C17 -1.8(5) . . . . ?
C21 C16 C17 C18 -0.6(5) . . . . ?
N5 C16 C17 C18 179.6(3) . . . . ?
C16 C17 C18 C19 -0.3(6) . . . . ?
C17 C18 C19 C20 1.0(6) . . . . ?
C18 C19 C20 C21 -0.9(6) . . . . ?
C17 C16 C21 C20 0.7(5) . . . . ?
N5 C16 C21 C20 -179.5(3) . . . . ?
C19 C20 C21 C16 0.1(5) . . . . ?

_refine_diff_density_max         2.519
_refine_diff_density_min         -2.146
_refine_diff_density_rms         0.191

_diffrn_detector                 'CCD plate'
_diffrn_detector_type            'Bruker Apex2'
_diffrn_measurement_device       'κ-geometry diffractometer'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2b
_audit_block_doi                 10.5517/ccdc.csd.cc1lfnm9
_database_code_depnum_ccdc_archive 'CCDC 1472891'
_audit_update_record             
;
2016-04-07 deposited with the CCDC.
2017-06-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H20 F6 N5 O P Pt'
_chemical_formula_weight         710.49

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'
F F 0.0171 0.0103 '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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.474(9)
_cell_length_b                   12.282(5)
_cell_length_c                   22.009(12)
_cell_angle_alpha                90
_cell_angle_beta                 111.079(16)
_cell_angle_gamma                90
_cell_volume                     4660(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    110
_cell_measurement_reflns_used    9753
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      32.17
_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.025
_exptl_crystal_F_000             2736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.115
_exptl_crystal_size_min          0.026
_exptl_absorpt_coefficient_mu    6.166
_shelx_estimated_absorpt_T_min   0.339
_shelx_estimated_absorpt_T_max   0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      110
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            112160
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.983
_diffrn_reflns_theta_max         33.778
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             17753
_reflns_number_gt                10644
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       Apex2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    SIR2011
_computing_structure_refinement  SHELXL-2013
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0323P)²+1.7074P] 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_number_reflns         17753
_refine_ls_number_parameters     653
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0914
_refine_ls_wR_factor_gt          0.0756
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.37326(2) 0.01756(2) 0.88810(2) 0.02159(4) Uani 1 1 d . . . . .
C1A C 0.3123(2) -0.1266(3) 0.8769(2) 0.0283(9) Uani 1 1 d . . . . .
H1A1 H 0.3489 -0.1875 0.8913 0.042 Uiso 1 1 calc R U . . .
H1A2 H 0.2800 -0.1365 0.8310 0.042 Uiso 1 1 calc R U . . .
H1A3 H 0.2793 -0.1243 0.9032 0.042 Uiso 1 1 calc R U . . .
N1A N 0.43761(19) 0.1631(3) 0.90758(17) 0.0253(8) Uani 1 1 d . . . . .
N2A N 0.39774(19) 0.0313(3) 0.98487(17) 0.0245(7) Uani 1 1 d . . . . .
N3A N 0.34934(19) 0.0171(3) 0.79152(17) 0.0238(7) Uani 1 1 d . . . . .
C2A C 0.4594(2) 0.2217(3) 0.8660(2) 0.0301(10) Uani 1 1 d . . . . .
H2A H 0.4505 0.1936 0.8237 0.036 Uiso 1 1 calc R U . . .
C3A C 0.4946(2) 0.3217(3) 0.8829(2) 0.0337(11) Uani 1 1 d . . . . .
H3A H 0.5089 0.3623 0.8522 0.040 Uiso 1 1 calc R U . . .
C4A C 0.5087(3) 0.3623(4) 0.9439(3) 0.0404(12) Uani 1 1 d . . . . .
H4A H 0.5314 0.4323 0.9557 0.049 Uiso 1 1 calc R U . . .
C5A C 0.4895(2) 0.3002(4) 0.9885(2) 0.0355(11) Uani 1 1 d . . . . .
H5A H 0.5005 0.3256 1.0317 0.043 Uiso 1 1 calc R U . . .
C6A C 0.4541(2) 0.2006(3) 0.9690(2) 0.0270(9) Uani 1 1 d . . . . .
C7A C 0.4312(2) 0.1269(3) 1.0123(2) 0.0254(9) Uani 1 1 d . . . . .
C8A C 0.4437(3) 0.1509(4) 1.0767(2) 0.0344(11) Uani 1 1 d . . . . .
H8A H 0.4669 0.2181 1.0950 0.041 Uiso 1 1 calc R U . . .
C9A C 0.4220(3) 0.0760(4) 1.1142(2) 0.0387(11) Uani 1 1 d . . . . .
H9A H 0.4285 0.0925 1.1581 0.046 Uiso 1 1 calc R U . . .
C10A C 0.3910(3) -0.0221(4) 1.0874(2) 0.0352(11) Uani 1 1 d . . . . .
H10A H 0.3776 -0.0755 1.1127 0.042 Uiso 1 1 calc R U . . .
C11A C 0.3795(2) -0.0419(4) 1.0224(2) 0.0325(10) Uani 1 1 d . . . . .
H11A H 0.3580 -0.1097 1.0039 0.039 Uiso 1 1 calc R U . . .
C12A C 0.3146(2) 0.1037(4) 0.7544(2) 0.0303(10) Uani 1 1 d . . . . .
H12A H 0.2972 0.1623 0.7739 0.036 Uiso 1 1 calc R U . . .
C13A C 0.3036(2) 0.1091(4) 0.6891(2) 0.0340(10) Uani 1 1 d . . . . .
H13A H 0.2796 0.1709 0.6640 0.041 Uiso 1 1 calc R U . . .
C14A C 0.3284(3) 0.0227(4) 0.6605(2) 0.0314(10) Uani 1 1 d . . . . .
C15A C 0.3607(2) -0.0664(4) 0.6978(2) 0.0325(10) Uani 1 1 d . . . . .
H15A H 0.3763 -0.1274 0.6789 0.039 Uiso 1 1 calc R U . . .
C16A C 0.3703(2) -0.0670(3) 0.7623(2) 0.0296(10) Uani 1 1 d . . . . .
H16A H 0.3927 -0.1295 0.7875 0.036 Uiso 1 1 calc R U . . .
N4A N 0.3259(2) 0.0182(3) 0.5932(2) 0.0373(9) Uani 1 1 d . . . . .
N5A N 0.2973(2) 0.1008(3) 0.5642(2) 0.0379(9) Uani 1 1 d . . . . .
C17A C 0.2981(2) 0.0993(4) 0.4975(2) 0.0354(11) Uani 1 1 d . . . . .
C18A C 0.2740(2) 0.1949(4) 0.4634(2) 0.0341(11) Uani 1 1 d . . . . .
H18A H 0.2572 0.2539 0.4829 0.041 Uiso 1 1 calc R U . . .
C19A C 0.2741(2) 0.2054(4) 0.4007(2) 0.0314(10) Uani 1 1 d . . . . .
H19A H 0.2567 0.2710 0.3770 0.038 Uiso 1 1 calc R U . . .
C20A C 0.2997(2) 0.1194(4) 0.3729(2) 0.0317(10) Uani 1 1 d . . . . .
O1A O 0.29875(19) 0.1357(3) 0.31098(15) 0.0368(8) Uani 1 1 d . . . . .
H1A H 0.3090 0.0769 0.2963 0.055 Uiso 1 1 calc R U . . .
C21A C 0.3229(2) 0.0216(4) 0.4060(2) 0.0343(11) Uani 1 1 d . . . . .
H21A H 0.3396 -0.0376 0.3865 0.041 Uiso 1 1 calc R U . . .
C22A C 0.3209(2) 0.0127(4) 0.4684(2) 0.0354(11) Uani 1 1 d . . . . .
H22A H 0.3355 -0.0540 0.4915 0.042 Uiso 1 1 calc R U . . .
Pt2 Pt 0.13076(2) 0.52957(2) 0.60815(2) 0.02312(5) Uani 1 1 d . . . . .
C1B C 0.2189(2) 0.4153(3) 0.6368(2) 0.0293(10) Uani 1 1 d . . . . .
H1B1 H 0.2082 0.3581 0.6037 0.044 Uiso 1 1 calc R U . . .
H1B2 H 0.2219 0.3830 0.6784 0.044 Uiso 1 1 calc R U . . .
H1B3 H 0.2683 0.4506 0.6420 0.044 Uiso 1 1 calc R U . . .
N1B N 0.03964(19) 0.6418(3) 0.57184(17) 0.0260(8) Uani 1 1 d . . . . .
N2B N 0.1223(2) 0.5381(3) 0.51402(17) 0.0242(7) Uani 1 1 d . . . . .
N3B N 0.1373(2) 0.5342(3) 0.70099(17) 0.0265(8) Uani 1 1 d . . . . .
C2B C -0.0031(3) 0.6872(3) 0.6031(2) 0.0307(10) Uani 1 1 d . . . . .
H2B H 0.0100 0.6721 0.6481 0.037 Uiso 1 1 calc R U . . .
C3B C -0.0648(3) 0.7547(4) 0.5730(2) 0.0372(11) Uani 1 1 d . . . . .
H3B H -0.0934 0.7859 0.5969 0.045 Uiso 1 1 calc R U . . .
C4B C -0.0849(3) 0.7767(3) 0.5071(2) 0.0368(11) Uani 1 1 d . . . . .
H4B H -0.1279 0.8221 0.4850 0.044 Uiso 1 1 calc R U . . .
C5B C -0.0415(3) 0.7318(3) 0.4745(2) 0.0314(10) Uani 1 1 d . . . . .
H5B H -0.0538 0.7468 0.4296 0.038 Uiso 1 1 calc R U . . .
C6B C 0.0204(2) 0.6645(3) 0.5073(2) 0.0245(9) Uani 1 1 d . . . . .
C7B C 0.0694(2) 0.6103(3) 0.4759(2) 0.0255(9) Uani 1 1 d . . . . .
C8B C 0.0636(3) 0.6305(4) 0.4127(2) 0.0311(10) Uani 1 1 d . . . . .
H8B H 0.0264 0.6813 0.3868 0.037 Uiso 1 1 calc R U . . .
C9B C 0.1116(3) 0.5772(4) 0.3872(2) 0.0392(12) Uani 1 1 d . . . . .
H9B H 0.1085 0.5914 0.3439 0.047 Uiso 1 1 calc R U . . .
C10B C 0.1645(3) 0.5025(4) 0.4255(2) 0.0370(11) Uani 1 1 d . . . . .
H10B H 0.1973 0.4633 0.4085 0.044 Uiso 1 1 calc R U . . .
C11B C 0.1687(3) 0.4859(3) 0.4882(2) 0.0313(10) Uani 1 1 d . . . . .
H11B H 0.2058 0.4356 0.5145 0.038 Uiso 1 1 calc R U . . .
C12B C 0.1642(3) 0.6243(3) 0.7374(2) 0.0340(11) Uani 1 1 d . . . . .
H12B H 0.1830 0.6831 0.7192 0.041 Uiso 1 1 calc R U . . .
C13B C 0.1650(3) 0.6335(4) 0.8006(2) 0.0339(10) Uani 1 1 d . . . . .
H13B H 0.1839 0.6978 0.8252 0.041 Uiso 1 1 calc R U . . .
C14B C 0.1380(2) 0.5477(3) 0.8272(2) 0.0246(9) Uani 1 1 d . . . . .
C15B C 0.1121(2) 0.4556(3) 0.7900(2) 0.0303(10) Uani 1 1 d . . . . .
H15B H 0.0936 0.3953 0.8073 0.036 Uiso 1 1 calc R U . . .
C16B C 0.1129(2) 0.4510(3) 0.7280(2) 0.0279(9) Uani 1 1 d . . . . .
H16B H 0.0954 0.3864 0.7033 0.034 Uiso 1 1 calc R U . . .
N4B N 0.1349(2) 0.5464(3) 0.89117(17) 0.0275(8) Uani 1 1 d . . . . .
N5B N 0.16277(19) 0.6306(3) 0.92321(17) 0.0271(8) Uani 1 1 d . . . . .
C17B C 0.1606(2) 0.6306(3) 0.9874(2) 0.0267(9) Uani 1 1 d . . . . .
C18B C 0.2067(2) 0.7059(3) 1.0304(2) 0.0276(9) Uani 1 1 d . . . . .
H18B H 0.2358 0.7569 1.0161 0.033 Uiso 1 1 calc R U . . .
C19B C 0.2108(2) 0.7077(3) 1.0948(2) 0.0289(10) Uani 1 1 d . . . . .
H19B H 0.2440 0.7580 1.1248 0.035 Uiso 1 1 calc R U . . .
C20B C 0.1660(3) 0.6351(3) 1.1147(2) 0.0298(10) Uani 1 1 d . . . . .
O1B O 0.1735(2) 0.6391(2) 1.17823(15) 0.0397(8) Uani 1 1 d . . . . .
H1B H 0.1563 0.5812 1.1883 0.059 Uiso 1 1 calc R U . . .
C21B C 0.1169(3) 0.5621(3) 1.0706(2) 0.0310(10) Uani 1 1 d . . . . .
H21B H 0.0854 0.5141 1.0842 0.037 Uiso 1 1 calc R U . . .
C22B C 0.1141(2) 0.5595(3) 1.0072(2) 0.0284(9) Uani 1 1 d . . . . .
H22B H 0.0807 0.5097 0.9771 0.034 Uiso 1 1 calc R U . . .
P1 P 0.43862(7) -0.12112(9) 0.27882(6) 0.0285(3) Uani 1 1 d . . . . .
F1 F 0.39055(17) -0.0103(2) 0.27336(16) 0.0509(8) Uani 1 1 d . . . . .
F2 F 0.48693(16) -0.2303(2) 0.28373(14) 0.0461(7) Uani 1 1 d . . . . .
F3 F 0.48594(15) -0.0650(2) 0.23958(13) 0.0409(7) Uani 1 1 d . . . . .
F4 F 0.39113(17) -0.1768(2) 0.31831(14) 0.0528(8) Uani 1 1 d . . . . .
F5 F 0.37553(15) -0.1623(2) 0.21200(13) 0.0454(7) Uani 1 1 d . . . . .
F6 F 0.50143(17) -0.0796(2) 0.34621(13) 0.0491(7) Uani 1 1 d . . . . .
P2 P 0.08489(7) 0.37687(10) 1.23116(6) 0.0321(3) Uani 1 1 d . . . . .
F7 F 0.15155(18) 0.4657(2) 1.25762(18) 0.0631(10) Uani 1 1 d . . . . .
F8 F 0.01816(17) 0.2895(3) 1.20544(19) 0.0808(12) Uani 1 1 d . . . . .
F9 F 0.04049(16) 0.4272(2) 1.27417(13) 0.0463(7) Uani 1 1 d . . . . .
F10 F 0.12869(17) 0.3255(3) 1.18807(17) 0.0816(13) Uani 1 1 d . . . . .
F11 F 0.13152(19) 0.3007(3) 1.28926(18) 0.0766(11) Uani 1 1 d . . . . .
F12 F 0.0388(2) 0.4558(4) 1.17400(18) 0.0978(16) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
Pt1 N3A 2.009(4) . ?
Pt1 N2A 2.019(4) . ?
Pt1 C1A 2.065(4) . ?
Pt1 N1A 2.104(3) . ?
C1A H1A1 0.9800 . ?
C1A H1A2 0.9800 . ?
C1A H1A3 0.9800 . ?
N1A C2A 1.334(5) . ?
N1A C6A 1.354(5) . ?
N2A C11A 1.343(5) . ?
N2A C7A 1.363(5) . ?
N3A C16A 1.346(5) . ?
N3A C12A 1.355(5) . ?
C2A C3A 1.376(6) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.368(6) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.387(6) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.381(6) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.483(6) . ?
C7A C8A 1.383(6) . ?
C8A C9A 1.389(6) . ?
C8A H8A 0.9500 . ?
C9A C10A 1.373(7) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.389(6) . ?
C10A H10A 0.9500 . ?
C11A H11A 0.9500 . ?
C12A C13A 1.380(6) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.392(6) . ?
C13A H13A 0.9500 . ?
C14A C15A 1.370(6) . ?
C14A N4A 1.468(6) . ?
C15A C16A 1.366(6) . ?
C15A H15A 0.9500 . ?
C16A H16A 0.9500 . ?
N4A N5A 1.214(5) . ?
N5A C17A 1.473(6) . ?
C17A C18A 1.379(6) . ?
C17A C22A 1.383(6) . ?
C18A C19A 1.387(6) . ?
C18A H18A 0.9500 . ?
C19A C20A 1.387(6) . ?
C19A H19A 0.9500 . ?
C20A O1A 1.371(5) . ?
C20A C21A 1.390(6) . ?
O1A H1A 0.8400 . ?
C21A C22A 1.393(6) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
Pt2 N3B 2.004(4) . ?
Pt2 N2B 2.024(4) . ?
Pt2 C1B 2.069(4) . ?
Pt2 N1B 2.099(3) . ?
C1B H1B1 0.9800 . ?
C1B H1B2 0.9800 . ?
C1B H1B3 0.9800 . ?
N1B C2B 1.340(5) . ?
N1B C6B 1.364(5) . ?
N2B C11B 1.349(5) . ?
N2B C7B 1.363(5) . ?
N3B C16B 1.340(5) . ?
N3B C12B 1.351(5) . ?
C2B C3B 1.373(6) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.388(6) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.368(6) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.385(6) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.480(6) . ?
C7B C8B 1.377(5) . ?
C8B C9B 1.374(6) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.384(7) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.369(6) . ?
C10B H10B 0.9500 . ?
C11B H11B 0.9500 . ?
C12B C13B 1.391(6) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.382(6) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.377(6) . ?
C14B N4B 1.430(5) . ?
C15B C16B 1.371(6) . ?
C15B H15B 0.9500 . ?
C16B H16B 0.9500 . ?
N4B N5B 1.253(5) . ?
N5B C17B 1.428(5) . ?
C17B C18B 1.378(6) . ?
C17B C22B 1.399(6) . ?
C18B C19B 1.390(6) . ?
C18B H18B 0.9500 . ?
C19B C20B 1.391(6) . ?
C19B H19B 0.9500 . ?
C20B O1B 1.356(5) . ?
C20B C21B 1.391(6) . ?
O1B H1B 0.8400 . ?
C21B C22B 1.377(6) . ?
C21B H21B 0.9500 . ?
C22B H22B 0.9500 . ?
P1 F3 1.590(3) . ?
P1 F2 1.593(3) . ?
P1 F4 1.594(3) . ?
P1 F5 1.595(3) . ?
P1 F6 1.603(3) . ?
P1 F1 1.606(3) . ?
P2 F11 1.569(3) . ?
P2 F12 1.574(3) . ?
P2 F8 1.578(3) . ?
P2 F10 1.582(3) . ?
P2 F9 1.584(3) . ?
P2 F7 1.590(3) . ?

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
N3A Pt1 N2A 175.37(13) . . ?
N3A Pt1 C1A 88.19(15) . . ?
N2A Pt1 C1A 95.91(15) . . ?
N3A Pt1 N1A 96.38(13) . . ?
N2A Pt1 N1A 79.54(13) . . ?
C1A Pt1 N1A 175.42(15) . . ?
Pt1 C1A H1A1 109.5 . . ?
Pt1 C1A H1A2 109.5 . . ?
H1A1 C1A H1A2 109.5 . . ?
Pt1 C1A H1A3 109.5 . . ?
H1A1 C1A H1A3 109.5 . . ?
H1A2 C1A H1A3 109.5 . . ?
C2A N1A C6A 119.0(4) . . ?
C2A N1A Pt1 127.3(3) . . ?
C6A N1A Pt1 113.6(3) . . ?
C11A N2A C7A 118.5(4) . . ?
C11A N2A Pt1 125.7(3) . . ?
C7A N2A Pt1 115.6(3) . . ?
C16A N3A C12A 118.1(4) . . ?
C16A N3A Pt1 121.1(3) . . ?
C12A N3A Pt1 120.8(3) . . ?
N1A C2A C3A 121.7(4) . . ?
N1A C2A H2A 119.1 . . ?
C3A C2A H2A 119.1 . . ?
C4A C3A C2A 119.7(4) . . ?
C4A C3A H3A 120.2 . . ?
C2A C3A H3A 120.2 . . ?
C3A C4A C5A 119.2(4) . . ?
C3A C4A H4A 120.4 . . ?
C5A C4A H4A 120.4 . . ?
C6A C5A C4A 118.7(4) . . ?
C6A C5A H5A 120.7 . . ?
C4A C5A H5A 120.7 . . ?
N1A C6A C5A 121.6(4) . . ?
N1A C6A C7A 114.9(4) . . ?
C5A C6A C7A 123.6(4) . . ?
N2A C7A C8A 121.3(4) . . ?
N2A C7A C6A 115.5(4) . . ?
C8A C7A C6A 123.2(4) . . ?
C7A C8A C9A 119.4(4) . . ?
C7A C8A H8A 120.3 . . ?
C9A C8A H8A 120.3 . . ?
C10A C9A C8A 119.3(4) . . ?
C10A C9A H9A 120.3 . . ?
C8A C9A H9A 120.3 . . ?
C9A C10A C11A 118.8(4) . . ?
C9A C10A H10A 120.6 . . ?
C11A C10A H10A 120.6 . . ?
N2A C11A C10A 122.5(4) . . ?
N2A C11A H11A 118.7 . . ?
C10A C11A H11A 118.7 . . ?
N3A C12A C13A 121.7(4) . . ?
N3A C12A H12A 119.1 . . ?
C13A C12A H12A 119.1 . . ?
C12A C13A C14A 119.0(4) . . ?
C12A C13A H13A 120.5 . . ?
C14A C13A H13A 120.5 . . ?
C15A C14A C13A 118.8(4) . . ?
C15A C14A N4A 115.0(4) . . ?
C13A C14A N4A 126.1(4) . . ?
C16A C15A C14A 119.5(4) . . ?
C16A C15A H15A 120.3 . . ?
C14A C15A H15A 120.3 . . ?
N3A C16A C15A 122.7(4) . . ?
N3A C16A H16A 118.6 . . ?
C15A C16A H16A 118.6 . . ?
N5A N4A C14A 110.4(4) . . ?
N4A N5A C17A 110.7(4) . . ?
C18A C17A C22A 119.7(4) . . ?
C18A C17A N5A 114.5(4) . . ?
C22A C17A N5A 125.8(4) . . ?
C17A C18A C19A 120.4(4) . . ?
C17A C18A H18A 119.8 . . ?
C19A C18A H18A 119.8 . . ?
C18A C19A C20A 119.4(4) . . ?
C18A C19A H19A 120.3 . . ?
C20A C19A H19A 120.3 . . ?
O1A C20A C19A 116.3(4) . . ?
O1A C20A C21A 122.6(4) . . ?
C19A C20A C21A 121.1(4) . . ?
C20A O1A H1A 109.5 . . ?
C20A C21A C22A 118.2(4) . . ?
C20A C21A H21A 120.9 . . ?
C22A C21A H21A 120.9 . . ?
C17A C22A C21A 121.1(4) . . ?
C17A C22A H22A 119.4 . . ?
C21A C22A H22A 119.4 . . ?
N3B Pt2 N2B 175.33(13) . . ?
N3B Pt2 C1B 87.45(15) . . ?
N2B Pt2 C1B 96.30(15) . . ?
N3B Pt2 N1B 96.66(14) . . ?
N2B Pt2 N1B 79.65(14) . . ?
C1B Pt2 N1B 175.71(15) . . ?
Pt2 C1B H1B1 109.5 . . ?
Pt2 C1B H1B2 109.5 . . ?
H1B1 C1B H1B2 109.5 . . ?
Pt2 C1B H1B3 109.5 . . ?
H1B1 C1B H1B3 109.5 . . ?
H1B2 C1B H1B3 109.5 . . ?
C2B N1B C6B 117.9(4) . . ?
C2B N1B Pt2 128.1(3) . . ?
C6B N1B Pt2 113.8(3) . . ?
C11B N2B C7B 118.2(4) . . ?
C11B N2B Pt2 125.5(3) . . ?
C7B N2B Pt2 116.0(3) . . ?
C16B N3B C12B 118.2(4) . . ?
C16B N3B Pt2 121.6(3) . . ?
C12B N3B Pt2 120.2(3) . . ?
N1B C2B C3B 123.0(4) . . ?
N1B C2B H2B 118.5 . . ?
C3B C2B H2B 118.5 . . ?
C2B C3B C4B 119.0(4) . . ?
C2B C3B H3B 120.5 . . ?
C4B C3B H3B 120.5 . . ?
C5B C4B C3B 118.8(4) . . ?
C5B C4B H4B 120.6 . . ?
C3B C4B H4B 120.6 . . ?
C4B C5B C6B 119.8(4) . . ?
C4B C5B H5B 120.1 . . ?
C6B C5B H5B 120.1 . . ?
N1B C6B C5B 121.4(4) . . ?
N1B C6B C7B 114.9(4) . . ?
C5B C6B C7B 123.7(4) . . ?
N2B C7B C8B 121.2(4) . . ?
N2B C7B C6B 115.4(4) . . ?
C8B C7B C6B 123.4(4) . . ?
C9B C8B C7B 119.8(4) . . ?
C9B C8B H8B 120.1 . . ?
C7B C8B H8B 120.1 . . ?
C8B C9B C10B 119.1(4) . . ?
C8B C9B H9B 120.4 . . ?
C10B C9B H9B 120.4 . . ?
C11B C10B C9B 118.9(4) . . ?
C11B C10B H10B 120.5 . . ?
C9B C10B H10B 120.5 . . ?
N2B C11B C10B 122.7(4) . . ?
N2B C11B H11B 118.7 . . ?
C10B C11B H11B 118.7 . . ?
N3B C12B C13B 122.0(4) . . ?
N3B C12B H12B 119.0 . . ?
C13B C12B H12B 119.0 . . ?
C14B C13B C12B 119.0(4) . . ?
C14B C13B H13B 120.5 . . ?
C12B C13B H13B 120.5 . . ?
C15B C14B C13B 118.5(4) . . ?
C15B C14B N4B 116.6(4) . . ?
C13B C14B N4B 125.0(4) . . ?
C16B C15B C14B 119.9(4) . . ?
C16B C15B H15B 120.1 . . ?
C14B C15B H15B 120.1 . . ?
N3B C16B C15B 122.5(4) . . ?
N3B C16B H16B 118.8 . . ?
C15B C16B H16B 118.8 . . ?
N5B N4B C14B 113.1(3) . . ?
N4B N5B C17B 113.9(3) . . ?
C18B C17B C22B 120.1(4) . . ?
C18B C17B N5B 116.7(4) . . ?
C22B C17B N5B 123.2(4) . . ?
C17B C18B C19B 120.3(4) . . ?
C17B C18B H18B 119.8 . . ?
C19B C18B H18B 119.8 . . ?
C18B C19B C20B 119.3(4) . . ?
C18B C19B H19B 120.3 . . ?
C20B C19B H19B 120.3 . . ?
O1B C20B C21B 122.8(4) . . ?
O1B C20B C19B 116.8(4) . . ?
C21B C20B C19B 120.4(4) . . ?
C20B O1B H1B 109.5 . . ?
C22B C21B C20B 120.0(4) . . ?
C22B C21B H21B 120.0 . . ?
C20B C21B H21B 120.0 . . ?
C21B C22B C17B 119.8(4) . . ?
C21B C22B H22B 120.1 . . ?
C17B C22B H22B 120.1 . . ?
F3 P1 F2 89.89(15) . . ?
F3 P1 F4 179.71(17) . . ?
F2 P1 F4 90.36(16) . . ?
F3 P1 F5 89.94(15) . . ?
F2 P1 F5 90.09(16) . . ?
F4 P1 F5 90.22(16) . . ?
F3 P1 F6 90.45(16) . . ?
F2 P1 F6 90.23(16) . . ?
F4 P1 F6 89.39(17) . . ?
F5 P1 F6 179.50(17) . . ?
F3 P1 F1 89.36(16) . . ?
F2 P1 F1 179.25(17) . . ?
F4 P1 F1 90.39(16) . . ?
F5 P1 F1 89.92(17) . . ?
F6 P1 F1 89.77(17) . . ?
F11 P2 F12 178.6(3) . . ?
F11 P2 F8 90.9(2) . . ?
F12 P2 F8 90.2(2) . . ?
F11 P2 F10 90.1(2) . . ?
F12 P2 F10 90.7(2) . . ?
F8 P2 F10 90.92(19) . . ?
F11 P2 F9 89.79(19) . . ?
F12 P2 F9 89.37(19) . . ?
F8 P2 F9 88.52(17) . . ?
F10 P2 F9 179.43(19) . . ?
F11 P2 F7 89.1(2) . . ?
F12 P2 F7 89.7(2) . . ?
F8 P2 F7 179.24(18) . . ?
F10 P2 F7 89.83(18) . . ?
F9 P2 F7 90.72(16) . . ?

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
C6A N1A C2A C3A -3.5(6) . . . . ?
Pt1 N1A C2A C3A 173.1(3) . . . . ?
N1A C2A C3A C4A 0.9(7) . . . . ?
C2A C3A C4A C5A 2.0(7) . . . . ?
C3A C4A C5A C6A -2.2(7) . . . . ?
C2A N1A C6A C5A 3.2(6) . . . . ?
Pt1 N1A C6A C5A -173.8(3) . . . . ?
C2A N1A C6A C7A -176.9(3) . . . . ?
Pt1 N1A C6A C7A 6.0(4) . . . . ?
C4A C5A C6A N1A -0.4(6) . . . . ?
C4A C5A C6A C7A 179.8(4) . . . . ?
C11A N2A C7A C8A -2.5(6) . . . . ?
Pt1 N2A C7A C8A 173.4(3) . . . . ?
C11A N2A C7A C6A 176.3(3) . . . . ?
Pt1 N2A C7A C6A -7.8(4) . . . . ?
N1A C6A C7A N2A 0.9(5) . . . . ?
C5A C6A C7A N2A -179.3(4) . . . . ?
N1A C6A C7A C8A 179.7(4) . . . . ?
C5A C6A C7A C8A -0.5(6) . . . . ?
N2A C7A C8A C9A 0.2(6) . . . . ?
C6A C7A C8A C9A -178.5(4) . . . . ?
C7A C8A C9A C10A 2.2(7) . . . . ?
C8A C9A C10A C11A -2.4(7) . . . . ?
C7A N2A C11A C10A 2.3(6) . . . . ?
Pt1 N2A C11A C10A -173.1(3) . . . . ?
C9A C10A C11A N2A 0.1(7) . . . . ?
C16A N3A C12A C13A -2.9(6) . . . . ?
Pt1 N3A C12A C13A 174.3(3) . . . . ?
N3A C12A C13A C14A 0.6(6) . . . . ?
C12A C13A C14A C15A 2.0(6) . . . . ?
C12A C13A C14A N4A -175.8(4) . . . . ?
C13A C14A C15A C16A -2.2(6) . . . . ?
N4A C14A C15A C16A 175.8(4) . . . . ?
C12A N3A C16A C15A 2.7(6) . . . . ?
Pt1 N3A C16A C15A -174.5(3) . . . . ?
C14A C15A C16A N3A -0.1(6) . . . . ?
C15A C14A N4A N5A -179.2(4) . . . . ?
C13A C14A N4A N5A -1.4(6) . . . . ?
C14A N4A N5A C17A 177.3(3) . . . . ?
N4A N5A C17A C18A -173.6(4) . . . . ?
N4A N5A C17A C22A 5.8(6) . . . . ?
C22A C17A C18A C19A -1.4(7) . . . . ?
N5A C17A C18A C19A 178.1(4) . . . . ?
C17A C18A C19A C20A -0.9(6) . . . . ?
C18A C19A C20A O1A -179.5(4) . . . . ?
C18A C19A C20A C21A 2.1(7) . . . . ?
O1A C20A C21A C22A -179.3(4) . . . . ?
C19A C20A C21A C22A -1.0(6) . . . . ?
C18A C17A C22A C21A 2.5(7) . . . . ?
N5A C17A C22A C21A -176.9(4) . . . . ?
C20A C21A C22A C17A -1.3(6) . . . . ?
C6B N1B C2B C3B 0.2(6) . . . . ?
Pt2 N1B C2B C3B -175.7(3) . . . . ?
N1B C2B C3B C4B 0.6(7) . . . . ?
C2B C3B C4B C5B -1.2(6) . . . . ?
C3B C4B C5B C6B 1.0(6) . . . . ?
C2B N1B C6B C5B -0.4(5) . . . . ?
Pt2 N1B C6B C5B 176.1(3) . . . . ?
C2B N1B C6B C7B -179.2(3) . . . . ?
Pt2 N1B C6B C7B -2.8(4) . . . . ?
C4B C5B C6B N1B -0.2(6) . . . . ?
C4B C5B C6B C7B 178.5(4) . . . . ?
C11B N2B C7B C8B -0.5(6) . . . . ?
Pt2 N2B C7B C8B 173.9(3) . . . . ?
C11B N2B C7B C6B 179.9(3) . . . . ?
Pt2 N2B C7B C6B -5.6(4) . . . . ?
N1B C6B C7B N2B 5.5(5) . . . . ?
C5B C6B C7B N2B -173.3(4) . . . . ?
N1B C6B C7B C8B -174.0(4) . . . . ?
C5B C6B C7B C8B 7.2(6) . . . . ?
N2B C7B C8B C9B 0.2(6) . . . . ?
C6B C7B C8B C9B 179.7(4) . . . . ?
C7B C8B C9B C10B 0.9(6) . . . . ?
C8B C9B C10B C11B -1.6(7) . . . . ?
C7B N2B C11B C10B -0.2(6) . . . . ?
Pt2 N2B C11B C10B -174.1(3) . . . . ?
C9B C10B C11B N2B 1.2(7) . . . . ?
C16B N3B C12B C13B -1.7(6) . . . . ?
Pt2 N3B C12B C13B 175.8(3) . . . . ?
N3B C12B C13B C14B 0.3(7) . . . . ?
C12B C13B C14B C15B 0.8(7) . . . . ?
C12B C13B C14B N4B -179.5(4) . . . . ?
C13B C14B C15B C16B -0.6(6) . . . . ?
N4B C14B C15B C16B 179.7(4) . . . . ?
C12B N3B C16B C15B 1.9(6) . . . . ?
Pt2 N3B C16B C15B -175.5(3) . . . . ?
C14B C15B C16B N3B -0.8(7) . . . . ?
C15B C14B N4B N5B 176.8(4) . . . . ?
C13B C14B N4B N5B -3.0(6) . . . . ?
C14B N4B N5B C17B -179.7(3) . . . . ?
N4B N5B C17B C18B 164.3(4) . . . . ?
N4B N5B C17B C22B -16.3(5) . . . . ?
C22B C17B C18B C19B 3.7(6) . . . . ?
N5B C17B C18B C19B -176.8(3) . . . . ?
C17B C18B C19B C20B -2.1(6) . . . . ?
C18B C19B C20B O1B 178.8(4) . . . . ?
C18B C19B C20B C21B -0.7(6) . . . . ?
O1B C20B C21B C22B -177.7(4) . . . . ?
C19B C20B C21B C22B 1.8(6) . . . . ?
C20B C21B C22B C17B -0.1(6) . . . . ?
C18B C17B C22B C21B -2.6(6) . . . . ?
N5B C17B C22B C21B 178.0(4) . . . . ?

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
C2A H2A F3 0.95 2.65 3.438(5) 141.2 3_656
C8A H8A F2 0.95 2.57 3.221(6) 125.9 2_656
C10A H10A F5 0.95 2.44 3.337(5) 156.6 1_556
C12A H12A O1A 0.95 2.61 3.485(5) 153.4 4_566
C16A H16A F2 0.95 2.47 3.214(5) 134.9 4_556
C16A H16A F4 0.95 2.48 3.350(5) 152.9 4_556
C19A H19A F11 0.95 2.45 3.110(5) 126.5 1_554
O1A H1A F1 0.84 2.05 2.791(4) 146.1 .
C2B H2B F9 0.95 2.54 3.332(5) 141.3 3_567
C5B H5B F10 0.95 2.64 3.547(6) 159.5 2_556
C8B H8B F8 0.95 2.32 3.167(6) 148.7 2_556
C12B H12B O1B 0.95 2.34 3.214(5) 151.8 4_575
C15B H15B F11 0.95 2.58 3.169(6) 120.7 4_565
C16B H16B F8 0.95 2.60 3.378(5) 139.4 4_565
O1B H1B F7 0.84 2.11 2.875(5) 151.4 .
C21B H21B F12 0.95 2.53 3.367(5) 147.4 .

_refine_diff_density_max         2.358
_refine_diff_density_min         -2.927
_refine_diff_density_rms         0.194

_shelxl_version_number           2013-3

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
