# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1519154'
_audit_update_record             
;
2016-11-25 deposited with the CCDC.
2017-01-15 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            'C18 H13 F6 N7 Pt'
_chemical_formula_weight         636.44

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'
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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.0433(8)
_cell_length_b                   7.4359(4)
_cell_length_c                   19.8943(12)
_cell_angle_alpha                90
_cell_angle_beta                 96.6100(10)
_cell_angle_gamma                90
_cell_volume                     1916.70(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    4266
_cell_measurement_theta_min      3.14
_cell_measurement_theta_max      24.53

_exptl_crystal_description       block
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_F_000             1208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    7.401
_shelx_estimated_absorpt_T_min   0.319
_shelx_estimated_absorpt_T_max   0.403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14293
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.777
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4415
_reflns_number_gt                3754
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0413P)²+1.0311P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4415
_refine_ls_number_parameters     319
_refine_ls_number_restraints     44
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0331
_refine_ls_wR_factor_ref         0.0794
_refine_ls_wR_factor_gt          0.0755
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Pt Pt 0.23685(2) 0.28676(3) 0.21951(2) 0.02892(8) Uani 1 1 d . . . . .
N1 N 0.4771(3) 0.3180(6) 0.2356(2) 0.0416(11) Uani 1 1 d . . . . .
N3 N 0.1521(4) 0.3172(6) 0.3583(2) 0.0427(12) Uani 1 1 d . . . . .
N4 N -0.0051(4) 0.2415(6) 0.2062(3) 0.0433(11) Uani 1 1 d . . . . .
N5 N 0.0856(3) 0.2483(5) 0.1790(2) 0.0322(9) Uani 1 1 d . . . . .
N6 N 0.2465(4) 0.2574(6) 0.1175(2) 0.0356(10) Uani 1 1 d . . . . .
N7 N 0.3283(4) 0.2636(6) 0.0798(2) 0.0423(11) Uani 1 1 d . . . . .
C1 C 0.3856(4) 0.2861(7) 0.2566(3) 0.0377(12) Uani 1 1 d . . . . .
C2 C 0.5608(5) 0.2597(8) 0.2782(3) 0.0535(17) Uani 1 1 d D . . . .
H2 H 0.6321 0.2625 0.2724 0.064 Uiso 0.588(5) 1 calc R U P A 1
H2' H 0.6248 0.2837 0.2615 0.064 Uiso 0.412(5) 1 calc R U P A 2
C4 C 0.2260(5) 0.2826(7) 0.3186(3) 0.0409(13) Uani 1 1 d . . . . .
C8 C 0.1717(5) 0.2705(8) 0.4243(3) 0.0516(16) Uani 1 1 d D . . . .
H8 H 0.1184 0.2999 0.4512 0.062 Uiso 0.588(5) 1 calc R U P A 1
H8' H 0.1312 0.2752 0.4610 0.062 Uiso 0.412(5) 1 calc R U P A 2
C9 C 0.4925(5) 0.4209(9) 0.1753(3) 0.0624(18) Uani 1 1 d . . . . .
H9A H 0.4255 0.4592 0.1525 0.094 Uiso 1 1 calc R U . . .
H9B H 0.5277 0.3458 0.1446 0.094 Uiso 1 1 calc R U . . .
H9C H 0.5348 0.5270 0.1883 0.094 Uiso 1 1 calc R U . . .
C10 C 0.0574(5) 0.4176(9) 0.3368(3) 0.0565(16) Uani 1 1 d . . . . .
H10A H 0.0554 0.4492 0.2888 0.085 Uiso 1 1 calc R U . . .
H10B H 0.0561 0.5277 0.3638 0.085 Uiso 1 1 calc R U . . .
H10C H -0.0027 0.3433 0.3434 0.085 Uiso 1 1 calc R U . . .
C11 C -0.1845(5) 0.2074(9) 0.1667(4) 0.066(2) Uani 1 1 d D . . . .
C12 C -0.0766(5) 0.2104(8) 0.1545(3) 0.0454(14) Uani 1 1 d . . . . .
C13 C -0.0358(4) 0.1933(7) 0.0936(3) 0.0446(14) Uani 1 1 d . . . . .
H13 H -0.0710 0.1699 0.0500 0.054 Uiso 1 1 calc R U . . .
C14 C 0.0683(4) 0.2186(7) 0.1116(3) 0.0358(11) Uani 1 1 d . . . . .
C15 C 0.1600(4) 0.2262(7) 0.0771(3) 0.0347(11) Uani 1 1 d . . . . .
C16 C 0.1811(5) 0.2103(8) 0.0109(3) 0.0431(13) Uani 1 1 d . . . . .
H16 H 0.1346 0.1871 -0.0285 0.052 Uiso 1 1 calc R U . . .
C17 C 0.2867(5) 0.2363(8) 0.0161(3) 0.0453(14) Uani 1 1 d . . . . .
C18 C 0.3556(6) 0.2366(12) -0.0373(3) 0.067(2) Uani 1 1 d D . . . .
N2 N 0.4042(4) 0.2154(7) 0.3202(3) 0.0471(13) Uani 0.588(5) 1 d D U P A 1
C3 C 0.5119(6) 0.1951(15) 0.3325(5) 0.051(2) Uani 0.588(5) 1 d D U P A 1
H3 H 0.5470 0.1441 0.3725 0.061 Uiso 0.588(5) 1 calc R U P A 1
C5 C 0.3140(6) 0.2154(7) 0.3568(3) 0.0537(15) Uani 0.588(5) 1 d D U P A 1
C6 C 0.3393(9) 0.1624(14) 0.4238(4) 0.046(2) Uani 0.588(5) 1 d D . P A 1
H6 H 0.4043 0.1160 0.4424 0.056 Uiso 0.588(5) 1 calc R U P A 1
C7 C 0.2560(8) 0.1874(13) 0.4587(6) 0.055(2) Uani 0.588(5) 1 d D . P A 1
H7 H 0.2565 0.1495 0.5044 0.066 Uiso 0.588(5) 1 calc R U P A 1
F1 F -0.2504(6) 0.1790(18) 0.1078(6) 0.114(4) Uani 0.588(5) 1 d . . P A 1
F2 F -0.2194(10) 0.3682(14) 0.1858(7) 0.110(4) Uani 0.588(5) 1 d D U P A 1
F3 F -0.2137(8) 0.0894(15) 0.2082(7) 0.099(4) Uani 0.588(5) 1 d . U P A 1
F4 F 0.401(4) 0.078(5) -0.0472(17) 0.088(7) Uani 0.588(5) 1 d . . P A 1
F5 F 0.4389(11) 0.3427(19) -0.0294(14) 0.105(6) Uani 0.588(5) 1 d . . P A 1
F6 F 0.311(2) 0.281(3) -0.0993(8) 0.078(5) Uani 0.588(5) 1 d . . P A 1
N2' N 0.3140(6) 0.2154(7) 0.3568(3) 0.0537(15) Uani 0.412(5) 1 d D . P A 2
C3' C 0.2725(9) 0.213(2) 0.4193(6) 0.051(2) Uani 0.412(5) 1 d D . P A 2
H3' H 0.3139 0.1714 0.4587 0.061 Uiso 0.412(5) 1 calc R U P A 2
C5' C 0.4042(4) 0.2154(7) 0.3202(3) 0.0471(13) Uani 0.412(5) 1 d D . P A 2
C6' C 0.4810(9) 0.1591(19) 0.3671(6) 0.046(2) Uani 0.412(5) 1 d D . P A 2
H6' H 0.4735 0.1164 0.4113 0.056 Uiso 0.412(5) 1 calc R U P A 2
C7' C 0.5714(12) 0.1753(19) 0.3389(6) 0.055(2) Uani 0.412(5) 1 d D . P A 2
H7' H 0.6357 0.1315 0.3599 0.066 Uiso 0.412(5) 1 calc R U P A 2
F1' F -0.2307(9) 0.058(3) 0.1409(9) 0.114(4) Uani 0.412(5) 1 d . . P A 2
F2' F -0.2380(15) 0.351(2) 0.1452(11) 0.110(4) Uani 0.412(5) 1 d D . P A 2
F3' F -0.1947(12) 0.191(2) 0.2349(11) 0.099(4) Uani 0.412(5) 1 d . . P A 2
F4' F 0.418(6) 0.091(8) -0.031(3) 0.088(7) Uani 0.412(5) 1 d D . P A 2
F5' F 0.4022(19) 0.397(2) -0.035(2) 0.105(6) Uani 0.412(5) 1 d D . P A 2
F6' F 0.297(3) 0.218(5) -0.0970(11) 0.078(5) Uani 0.412(5) 1 d 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
Pt C4 1.992(5) . ?
Pt C1 1.994(6) . ?
Pt N6 2.059(4) . ?
Pt N5 2.063(4) . ?
N1 C1 1.330(7) . ?
N1 C2 1.373(8) . ?
N1 C9 1.457(7) . ?
N3 C4 1.340(7) . ?
N3 C8 1.353(7) . ?
N3 C10 1.465(8) . ?
N4 C12 1.327(8) . ?
N4 N5 1.358(6) . ?
N5 C14 1.353(7) . ?
N6 C15 1.329(7) . ?
N6 N7 1.373(7) . ?
N7 C17 1.336(7) . ?
C1 C5' 1.367(7) . ?
C1 N2 1.367(7) . ?
C2 C7' 1.354(9) . ?
C2 C3 1.402(8) . ?
C4 N2' 1.395(9) . ?
C4 C5 1.395(9) . ?
C8 C7 1.374(8) . ?
C8 C3' 1.397(9) . ?
C11 F3 1.292(13) . ?
C11 F2' 1.320(9) . ?
C11 F1' 1.339(19) . ?
C11 F2 1.349(9) . ?
C11 F3' 1.38(2) . ?
C11 F1 1.387(12) . ?
C11 C12 1.455(9) . ?
C12 C13 1.385(9) . ?
C13 C14 1.377(8) . ?
C14 C15 1.446(8) . ?
C15 C16 1.382(7) . ?
C16 C17 1.383(9) . ?
C17 C18 1.467(9) . ?
C18 F5 1.338(16) . ?
C18 F5' 1.340(10) . ?
C18 F6 1.343(15) . ?
C18 F4 1.35(2) . ?
C18 F6' 1.347(10) . ?
C18 F4' 1.347(10) . ?
N2 C3 1.406(8) . ?
N2 C5 1.453(9) . ?
C5 C6 1.393(7) . ?
C6 C7 1.368(16) . ?
N2' C3' 1.412(9) . ?
N2' C5' 1.453(9) . ?
C5' C6' 1.355(8) . ?
C6' C7' 1.369(10) . ?

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
C4 Pt C1 79.1(2) . . ?
C4 Pt N6 173.0(2) . . ?
C1 Pt N6 101.3(2) . . ?
C4 Pt N5 102.1(2) . . ?
C1 Pt N5 171.76(19) . . ?
N6 Pt N5 76.41(18) . . ?
C1 N1 C2 115.5(5) . . ?
C1 N1 C9 124.5(5) . . ?
C2 N1 C9 119.8(5) . . ?
C4 N3 C8 117.1(6) . . ?
C4 N3 C10 124.4(5) . . ?
C8 N3 C10 118.3(5) . . ?
C12 N4 N5 105.3(5) . . ?
C14 N5 N4 109.6(4) . . ?
C14 N5 Pt 116.9(4) . . ?
N4 N5 Pt 133.5(4) . . ?
C15 N6 N7 109.5(4) . . ?
C15 N6 Pt 118.1(4) . . ?
N7 N6 Pt 132.4(4) . . ?
C17 N7 N6 104.9(5) . . ?
N1 C1 C5' 106.8(5) . . ?
N1 C1 N2 106.8(5) . . ?
N1 C1 Pt 138.9(4) . . ?
C5' C1 Pt 113.9(4) . . ?
N2 C1 Pt 113.9(4) . . ?
C7' C2 N1 133.5(8) . . ?
N1 C2 C3 100.5(6) . . ?
N3 C4 N2' 110.4(5) . . ?
N3 C4 C5 110.4(5) . . ?
N3 C4 Pt 136.0(5) . . ?
N2' C4 Pt 113.4(4) . . ?
C5 C4 Pt 113.4(4) . . ?
N3 C8 C7 130.6(8) . . ?
N3 C8 C3' 94.9(7) . . ?
F2' C11 F1' 110.4(13) . . ?
F3 C11 F2 106.7(10) . . ?
F2' C11 F3' 106.5(13) . . ?
F1' C11 F3' 102.1(11) . . ?
F3 C11 F1 103.6(9) . . ?
F2 C11 F1 100.1(8) . . ?
F3 C11 C12 118.7(7) . . ?
F2' C11 C12 114.8(11) . . ?
F1' C11 C12 110.5(8) . . ?
F2 C11 C12 113.4(8) . . ?
F3' C11 C12 111.7(8) . . ?
F1 C11 C12 112.3(7) . . ?
N4 C12 C13 112.8(5) . . ?
N4 C12 C11 118.7(6) . . ?
C13 C12 C11 128.4(6) . . ?
C14 C13 C12 103.1(5) . . ?
N5 C14 C13 109.1(5) . . ?
N5 C14 C15 114.3(5) . . ?
C13 C14 C15 136.6(5) . . ?
N6 C15 C16 110.1(5) . . ?
N6 C15 C14 114.3(5) . . ?
C16 C15 C14 135.6(5) . . ?
C15 C16 C17 102.9(5) . . ?
N7 C17 C16 112.6(5) . . ?
N7 C17 C18 118.1(6) . . ?
C16 C17 C18 129.3(6) . . ?
F5 C18 F6 102.8(15) . . ?
F5 C18 F4 100(3) . . ?
F6 C18 F4 103(2) . . ?
F5' C18 F6' 109(2) . . ?
F5' C18 F4' 116(4) . . ?
F6' C18 F4' 106(3) . . ?
F5 C18 C17 118.2(11) . . ?
F5' C18 C17 107.0(13) . . ?
F6 C18 C17 115.5(14) . . ?
F4 C18 C17 115(3) . . ?
F6' C18 C17 107.6(19) . . ?
F4' C18 C17 110(4) . . ?
C1 N2 C3 105.7(6) . . ?
C1 N2 C5 113.4(5) . . ?
C3 N2 C5 139.7(6) . . ?
C2 C3 N2 111.3(7) . . ?
C6 C5 C4 135.5(8) . . ?
C6 C5 N2 111.3(7) . . ?
C4 C5 N2 112.9(5) . . ?
C7 C6 C5 109.5(9) . . ?
C6 C7 C8 116.4(10) . . ?
C4 N2' C3' 96.3(7) . . ?
C4 N2' C5' 112.9(5) . . ?
C3' N2' C5' 148.8(7) . . ?
C8 C3' N2' 121.1(10) . . ?
C6' C5' C1 142.7(8) . . ?
C6' C5' N2' 103.4(7) . . ?
C1 C5' N2' 113.4(5) . . ?
C5' C6' C7' 107.1(11) . . ?
C2 C7' C6' 113.8(12) . . ?

_refine_diff_density_max         2.149
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.139


####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1519155'
_audit_update_record             
;
2016-11-25 deposited with the CCDC.
2017-01-15 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            'C19 H15 F6 N7 Pt'
_chemical_formula_weight         650.47

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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   21.8036(14)
_cell_length_b                   6.7963(4)
_cell_length_c                   13.7863(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2042.9(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    4595
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      24.93

_exptl_crystal_description       needle
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.115
_exptl_crystal_F_000             1240
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    6.946
_shelx_estimated_absorpt_T_min   0.146
_shelx_estimated_absorpt_T_max   0.543
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.446
_exptl_absorpt_correction_T_max  0.743
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15328
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.382
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2538
_reflns_number_gt                2294
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0224P)²+1.7838P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2538
_refine_ls_number_parameters     206
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0221
_refine_ls_wR_factor_ref         0.0517
_refine_ls_wR_factor_gt          0.0502
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.105
_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
Pt Pt 0.04351(2) 0.2500 0.50999(2) 0.02048(6) Uani 1 2 d S T P . .
N1 N 0.04749(18) 0.2500 0.7387(3) 0.0318(9) Uani 1 2 d S T P . .
N2 N -0.04021(17) 0.2500 0.6689(3) 0.0269(8) Uani 1 2 d S T P . .
N3 N -0.07970(18) 0.2500 0.4202(3) 0.0285(8) Uani 1 2 d S T P . .
H3 H -0.0603 0.2500 0.3642 0.034 Uiso 1 2 calc R U P . .
N4 N 0.01962(18) 0.2500 0.2881(3) 0.0264(8) Uani 1 2 d S T P . .
N5 N 0.05900(17) 0.2500 0.3643(2) 0.0242(8) Uani 1 2 d S T P . .
N6 N 0.13871(18) 0.2500 0.5022(2) 0.0255(8) Uani 1 2 d S T P A .
N7 N 0.18499(17) 0.2500 0.5673(3) 0.0323(9) Uani 1 2 d S T P A .
C1 C 0.0212(2) 0.2500 0.6503(3) 0.0241(9) Uani 1 2 d S T P . .
C2 C 0.0026(2) 0.2500 0.8104(3) 0.0382(12) Uani 1 2 d S T P . .
H2 H 0.0096 0.2500 0.8784 0.046 Uiso 1 2 calc R U P . .
C3 C -0.0520(2) 0.2500 0.7671(3) 0.0340(11) Uani 1 2 d S T P . .
H3A H -0.0910 0.2500 0.7977 0.041 Uiso 1 2 calc R U P . .
C4 C -0.0457(2) 0.2500 0.5023(3) 0.0249(10) Uani 1 2 d S T P . .
C5 C -0.0793(2) 0.2500 0.5890(3) 0.0250(9) Uani 1 2 d S T P . .
C6 C -0.1424(2) 0.2500 0.5924(4) 0.0353(11) Uani 1 2 d S T P . .
H6 H -0.1638 0.2500 0.6524 0.042 Uiso 1 2 calc R U P . .
C7 C -0.1736(3) 0.2500 0.5042(4) 0.0417(13) Uani 1 2 d S T P . .
H7 H -0.2171 0.2500 0.5036 0.050 Uiso 1 2 calc R U P . .
C8 C -0.1422(2) 0.2500 0.4193(4) 0.0372(12) Uani 1 2 d S T P . .
H8 H -0.1638 0.2500 0.3594 0.045 Uiso 1 2 calc R U P . .
C9 C 0.1136(2) 0.2500 0.7596(4) 0.0453(14) Uani 1 2 d S T P . .
H9 H 0.1359 0.2500 0.6962 0.054 Uiso 1 2 calc R U P . .
C10 C 0.1319(2) 0.0662(7) 0.8141(3) 0.0619(12) Uani 1 1 d . . . . .
H10A H 0.1144 0.0702 0.8796 0.093 Uiso 1 1 calc R U . . .
H10B H 0.1767 0.0592 0.8184 0.093 Uiso 1 1 calc R U . . .
H10C H 0.1164 -0.0498 0.7798 0.093 Uiso 1 1 calc R U . . .
C11 C 0.0314(2) 0.2500 0.1098(4) 0.0394(12) Uani 1 2 d S T P . .
C12 C 0.0563(2) 0.2500 0.2092(3) 0.0306(10) Uani 1 2 d S T P A .
C13 C 0.1177(2) 0.2500 0.2333(3) 0.0303(10) Uani 1 2 d S T P . .
H13 H 0.1521 0.2500 0.1909 0.036 Uiso 1 2 calc R U P A .
C14 C 0.1174(2) 0.2500 0.3343(3) 0.0243(9) Uani 1 2 d S T P A .
C15 C 0.1622(2) 0.2500 0.4112(3) 0.0246(9) Uani 1 2 d S T P . .
C16 C 0.2255(2) 0.2500 0.4159(3) 0.0343(11) Uani 1 2 d S T P A .
H16 H 0.2545 0.2500 0.3643 0.041 Uiso 1 2 calc R U P . .
C17 C 0.2360(2) 0.2500 0.5156(3) 0.0348(11) Uani 1 2 d S T P . .
C18 C 0.2952(2) 0.2500 0.5669(4) 0.0569(15) Uani 1 2 d DS TU P A .
F1 F -0.02870(18) 0.212(2) 0.1069(3) 0.056(4) Uani 0.5 1 d . . P A 1
F2 F 0.05029(12) 0.0941(4) 0.05855(16) 0.0591(7) Uani 1 1 d . . . . .
F3 F 0.2970(3) 0.1599(11) 0.6494(4) 0.094(3) Uani 0.5 1 d D U P A -1
F4 F 0.3101(3) 0.4431(11) 0.5904(7) 0.113(3) Uani 0.5 1 d D U P A -1
F5 F 0.3423(2) 0.2034(13) 0.5144(4) 0.075(3) Uani 0.5 1 d D U P A -1


_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
Pt C4 1.949(4) . ?
Pt C1 1.994(4) . ?
Pt N5 2.037(3) . ?
Pt N6 2.078(4) . ?
N1 C1 1.347(6) . ?
N1 C2 1.392(6) . ?
N1 C9 1.470(6) . ?
N2 C1 1.363(6) . ?
N2 C3 1.379(6) . ?
N2 C5 1.393(6) . ?
N3 C4 1.353(5) . ?
N3 C8 1.364(6) . ?
N4 C12 1.349(6) . ?
N4 N5 1.357(5) . ?
N5 C14 1.340(5) . ?
N6 N7 1.350(5) . ?
N6 C15 1.356(5) . ?
N7 C17 1.322(6) . ?
C2 C3 1.330(7) . ?
C4 C5 1.401(6) . ?
C5 C6 1.377(6) . ?
C6 C7 1.392(7) . ?
C7 C8 1.355(7) . ?
C9 C10 1.512(5) . ?
C9 C10 1.512(5) 7_565 ?
C11 F1 1.337(7) 7_565 ?
C11 F1 1.337(7) . ?
C11 F2 1.338(4) . ?
C11 F2 1.338(4) 7_565 ?
C11 C12 1.475(6) . ?
C12 C13 1.380(6) . ?
C13 C14 1.393(6) . ?
C14 C15 1.440(6) . ?
C15 C16 1.383(6) . ?
C16 C17 1.393(6) . ?
C17 C18 1.472(7) . ?
C18 F3 1.292(6) . ?
C18 F5 1.296(6) . ?
C18 F4 1.390(6) . ?
F1 F1 0.52(3) 7_565 ?

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
C4 Pt C1 78.98(18) . . ?
C4 Pt N5 96.44(16) . . ?
C1 Pt N5 175.42(15) . . ?
C4 Pt N6 173.93(15) . . ?
C1 Pt N6 107.09(16) . . ?
N5 Pt N6 77.49(14) . . ?
C1 N1 C2 110.1(4) . . ?
C1 N1 C9 126.5(4) . . ?
C2 N1 C9 123.4(4) . . ?
C1 N2 C3 111.5(4) . . ?
C1 N2 C5 116.9(4) . . ?
C3 N2 C5 131.6(4) . . ?
C4 N3 C8 123.7(4) . . ?
C12 N4 N5 104.4(4) . . ?
C14 N5 N4 111.3(4) . . ?
C14 N5 Pt 117.5(3) . . ?
N4 N5 Pt 131.2(3) . . ?
N7 N6 C15 109.5(4) . . ?
N7 N6 Pt 135.4(3) . . ?
C15 N6 Pt 115.2(3) . . ?
C17 N7 N6 105.7(4) . . ?
N1 C1 N2 104.4(4) . . ?
N1 C1 Pt 140.7(4) . . ?
N2 C1 Pt 115.0(3) . . ?
C3 C2 N1 108.0(4) . . ?
C2 C3 N2 106.0(4) . . ?
N3 C4 C5 115.3(4) . . ?
N3 C4 Pt 126.3(3) . . ?
C5 C4 Pt 118.4(3) . . ?
C6 C5 N2 125.8(4) . . ?
C6 C5 C4 123.5(4) . . ?
N2 C5 C4 110.8(4) . . ?
C5 C6 C7 117.2(5) . . ?
C8 C7 C6 120.6(5) . . ?
C7 C8 N3 119.7(5) . . ?
N1 C9 C10 110.9(3) . . ?
N1 C9 C10 110.9(3) . 7_565 ?
C10 C9 C10 111.4(5) . 7_565 ?
F1 C11 F1 22.5(14) 7_565 . ?
F1 C11 F2 116.1(6) 7_565 . ?
F1 C11 F2 97.6(6) . . ?
F1 C11 F2 97.6(6) 7_565 7_565 ?
F1 C11 F2 116.1(6) . 7_565 ?
F2 C11 F2 104.7(4) . 7_565 ?
F1 C11 C12 112.8(4) 7_565 . ?
F1 C11 C12 112.8(4) . . ?
F2 C11 C12 112.2(3) . . ?
F2 C11 C12 112.2(3) 7_565 . ?
N4 C12 C13 112.4(4) . . ?
N4 C12 C11 122.1(4) . . ?
C13 C12 C11 125.4(4) . . ?
C12 C13 C14 103.7(4) . . ?
N5 C14 C13 108.2(4) . . ?
N5 C14 C15 114.7(4) . . ?
C13 C14 C15 137.1(4) . . ?
N6 C15 C16 109.5(4) . . ?
N6 C15 C14 115.2(4) . . ?
C16 C15 C14 135.3(4) . . ?
C15 C16 C17 102.1(4) . . ?
N7 C17 C16 113.2(4) . . ?
N7 C17 C18 118.6(4) . . ?
C16 C17 C18 128.2(5) . . ?
F3 C18 F5 110.6(5) . . ?
F3 C18 F4 103.6(7) . . ?
F5 C18 F4 100.2(6) . . ?
F3 C18 C17 116.7(5) . . ?
F5 C18 C17 115.3(5) . . ?
F4 C18 C17 108.4(4) . . ?
F1 F1 C11 78.8(7) 7_565 . ?

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
N3 H3 N4 0.88 2.03 2.830(6) 149.7 .

_refine_diff_density_max         0.848
_refine_diff_density_min         -0.648
_refine_diff_density_rms         0.148





####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1519153'
_audit_update_record             
;
2016-11-25 deposited with the CCDC.
2017-01-15 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            'C46 H50 F12 N14 O3 Pt2'
_chemical_formula_weight         1465.18

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'
Pt Pt -1.7033 8.3905 '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'

_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                   12.2448(6)
_cell_length_b                   15.2481(8)
_cell_length_c                   16.3269(8)
_cell_angle_alpha                72.0438(10)
_cell_angle_beta                 69.3280(10)
_cell_angle_gamma                68.7506(9)
_cell_volume                     2600.7(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    8846
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      25.44

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_F_000             1424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    5.472
_shelx_estimated_absorpt_T_min   0.291
_shelx_estimated_absorpt_T_max   0.536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.491
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33634
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.782
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             11904
_reflns_number_gt                9941
_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       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0382P)²+1.0865P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11904
_refine_ls_number_parameters     714
_refine_ls_number_restraints     20
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_ref         0.0836
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.003
_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 1.01572(2) 0.72202(2) 0.91695(2) 0.02640(6) Uani 1 1 d . . . . .
N1 N 1.1241(4) 0.7871(3) 0.7183(3) 0.0320(9) Uani 1 1 d . . . . .
N2 N 1.0415(4) 0.8144(3) 0.7950(2) 0.0298(8) Uani 1 1 d . . . . .
N3 N 0.8353(3) 0.7915(3) 0.9239(3) 0.0297(8) Uani 1 1 d . . . . .
N4 N 0.7447(3) 0.7479(3) 0.9585(3) 0.0323(9) Uani 1 1 d . . . . .
N5 N 1.2948(4) 0.6705(3) 0.8674(3) 0.0355(9) Uani 1 1 d . . . . .
N6 N 1.0964(4) 0.5403(3) 1.0238(3) 0.0326(9) Uani 1 1 d . . . . .
N7 N 0.9143(4) 0.6010(3) 1.1032(3) 0.0370(9) Uani 1 1 d . U . . .
C1 C 1.1884(4) 0.6481(3) 0.9103(3) 0.0287(10) Uani 1 1 d . . . . .
C2 C 1.2042(4) 0.5546(3) 0.9607(3) 0.0297(10) Uani 1 1 d . . . . .
C3 C 1.3157(5) 0.4888(5) 0.9557(4) 0.0493(14) Uani 1 1 d . . . . .
H3 H 1.3220 0.4245 0.9884 0.059 Uiso 1 1 calc R U . . .
C4 C 1.4171(7) 0.5147(6) 0.9044(5) 0.072(2) Uani 1 1 d . . . . .
H4 H 1.4951 0.4688 0.8969 0.086 Uiso 1 1 calc R U . . .
C5 C 1.4045(6) 0.6046(5) 0.8657(5) 0.0626(18) Uani 1 1 d . . . . .
H5 H 1.4758 0.6251 0.8348 0.075 Uiso 1 1 calc R U . . .
C6 C 0.9968(4) 0.6203(3) 1.0267(3) 0.0277(10) Uani 1 1 d . . . . .
C7 C 1.0797(5) 0.4653(4) 1.0980(3) 0.0395(12) Uani 1 1 d . . . . .
H7 H 1.1353 0.4037 1.1105 0.047 Uiso 1 1 calc R U . . .
C8 C 0.9610(6) 0.5028(4) 1.1498(4) 0.0542(16) Uani 1 1 d . U . . .
H8 H 0.9190 0.4702 1.2048 0.065 Uiso 1 1 calc R U . . .
C9 C 1.2982(5) 0.7704(4) 0.8246(4) 0.0499(14) Uani 1 1 d . . . . .
H9A H 1.2150 0.8126 0.8290 0.075 Uiso 1 1 calc R U . . .
H9B H 1.3380 0.7911 0.8548 0.075 Uiso 1 1 calc R U . . .
H9C H 1.3440 0.7737 0.7614 0.075 Uiso 1 1 calc R U . . .
C10 C 0.8004(5) 0.6678(5) 1.1391(4) 0.0567(16) Uani 1 1 d . . . . .
H10A H 0.7568 0.6351 1.1963 0.085 Uiso 1 1 calc R U . . .
H10B H 0.8166 0.7219 1.1484 0.085 Uiso 1 1 calc R U . . .
H10C H 0.7505 0.6917 1.0969 0.085 Uiso 1 1 calc R U . . .
C11 C 1.1823(5) 0.8655(4) 0.5609(3) 0.0458(13) Uani 1 1 d . . . . .
C12 C 1.1039(4) 0.8659(4) 0.6545(3) 0.0338(11) Uani 1 1 d . . . . .
C13 C 1.0132(5) 0.9422(4) 0.6865(3) 0.0407(12) Uani 1 1 d . . . . .
H13 H 0.9841 1.0050 0.6536 0.049 Uiso 1 1 calc R U . . .
C14 C 0.9738(4) 0.9071(3) 0.7776(3) 0.0326(10) Uani 1 1 d . . . . .
C15 C 0.8733(5) 0.9514(3) 0.8510(3) 0.0375(12) Uani 1 1 d . . . . .
C16 C 0.7896(5) 0.8877(3) 0.8959(3) 0.0356(11) Uani 1 1 d . . . . .
C17 C 0.6658(5) 0.9091(4) 0.9133(3) 0.0418(13) Uani 1 1 d . . . . .
H17 H 0.6091 0.9704 0.9021 0.050 Uiso 1 1 calc R U . . .
C18 C 0.6422(4) 0.8205(4) 0.9513(3) 0.0362(11) Uani 1 1 d . . . . .
C19 C 0.5245(5) 0.8008(4) 0.9843(4) 0.0485(14) Uani 1 1 d D . . . .
C20 C 0.9285(6) 0.9611(4) 0.9177(4) 0.0485(14) Uani 1 1 d . . . . .
H20A H 0.8630 0.9900 0.9655 0.073 Uiso 1 1 calc R U . . .
H20B H 0.9748 0.8974 0.9434 0.073 Uiso 1 1 calc R U . . .
H20C H 0.9827 1.0023 0.8866 0.073 Uiso 1 1 calc R U . . .
C21 C 0.8038(6) 1.0515(4) 0.8101(4) 0.0558(17) Uani 1 1 d . . . . .
H21A H 0.7381 1.0809 0.8574 0.084 Uiso 1 1 calc R U . . .
H21B H 0.8596 1.0915 0.7799 0.084 Uiso 1 1 calc R U . . .
H21C H 0.7692 1.0463 0.7666 0.084 Uiso 1 1 calc R U . . .
F1 F 1.2286(3) 0.7782(2) 0.5418(2) 0.0559(9) Uani 1 1 d . . . . .
F2 F 1.2792(4) 0.8970(3) 0.5431(2) 0.0720(11) Uani 1 1 d . . . . .
F3 F 1.1212(4) 0.9214(3) 0.5018(2) 0.0830(13) Uani 1 1 d . . . . .
F4 F 0.4933(5) 0.7652(6) 1.0727(4) 0.101(2) Uani 0.837(5) 1 d . U P A 1
F5 F 0.4323(4) 0.8750(3) 0.9702(4) 0.0841(18) Uani 0.837(5) 1 d . U P A 1
F6 F 0.5182(4) 0.7319(4) 0.9526(4) 0.0881(18) Uani 0.837(5) 1 d . U P A 1
F4' F 0.445(3) 0.856(3) 1.043(2) 0.101(2) Uani 0.163(5) 1 d . . P A 2
F5' F 0.482(2) 0.8260(19) 0.911(2) 0.0841(18) Uani 0.163(5) 1 d . . P A 2
F6' F 0.522(3) 0.7147(12) 1.037(2) 0.0881(18) Uani 0.163(5) 1 d D . P A 2
Pt2 Pt 0.80789(2) 0.70280(2) 0.42286(2) 0.02715(6) Uani 1 1 d . . . . .
N8 N 1.0269(4) 0.7000(3) 0.2652(3) 0.0358(9) Uani 1 1 d . . . . .
N9 N 0.9112(4) 0.7505(3) 0.2990(3) 0.0326(9) Uani 1 1 d . . . . .
N10 N 0.6788(3) 0.7447(3) 0.3551(2) 0.0298(8) Uani 1 1 d . . . . .
N11 N 0.6043(3) 0.6920(3) 0.3667(2) 0.0310(9) Uani 1 1 d . . . . .
N12 N 1.0398(4) 0.6702(3) 0.4762(3) 0.0398(10) Uani 1 1 d . . . . .
N13 N 0.7957(5) 0.5683(3) 0.5883(3) 0.0410(11) Uani 0.602(7) 1 d . . P B 1
C23' C 0.7957(5) 0.5683(3) 0.5883(3) 0.0410(11) Uani 0.398(7) 1 d . . P B 2
N14 N 0.6073(4) 0.6315(3) 0.5811(3) 0.0398(10) Uani 1 1 d . . . . .
C22 C 0.9340(4) 0.6522(4) 0.4885(3) 0.0353(11) Uani 1 1 d . . . . .
C23 C 0.9155(5) 0.5793(3) 0.5621(3) 0.0408(12) Uani 0.602(7) 1 d . . P B 1
N13' N 0.9155(5) 0.5793(3) 0.5621(3) 0.0408(12) Uani 0.398(7) 1 d . . P B 2
C24 C 0.9853(9) 0.5208(7) 0.6191(6) 0.0356(17) Uani 0.602(7) 1 d . . P B 1
H24 H 0.9629 0.4713 0.6678 0.043 Uiso 0.602(7) 1 calc R U P B 1
C25 C 1.0929(10) 0.5444(7) 0.5954(7) 0.045(2) Uani 0.602(7) 1 d . . P B 1
H25 H 1.1528 0.5092 0.6270 0.054 Uiso 0.602(7) 1 calc R U P B 1
C24' C 0.7878(14) 0.4969(10) 0.6639(9) 0.0356(17) Uani 0.398(7) 1 d . . P B 2
H24' H 0.8517 0.4543 0.6895 0.043 Uiso 0.398(7) 1 calc R U P B 2
C25' C 0.6642(15) 0.5010(12) 0.6947(12) 0.045(2) Uani 0.398(7) 1 d . . P B 2
H25' H 0.6356 0.4573 0.7469 0.054 Uiso 0.398(7) 1 calc R U P B 2
C26 C 1.1096(5) 0.6129(5) 0.5316(4) 0.0509(15) Uani 1 1 d . . . . .
H26 H 1.1836 0.6272 0.5199 0.061 Uiso 0.602(7) 1 calc R U P B 1
H26' H 1.1870 0.6114 0.5333 0.061 Uiso 0.398(7) 1 calc R U P B 2
C27 C 0.7213(4) 0.6364(4) 0.5392(3) 0.0330(11) Uani 1 1 d . . . . .
C28 C 0.7230(11) 0.5141(8) 0.6593(7) 0.044(2) Uani 0.602(7) 1 d . . P B 1
H28 H 0.7514 0.4590 0.7015 0.052 Uiso 0.602(7) 1 calc R U P B 1
C28' C 1.0277(16) 0.5533(13) 0.5886(11) 0.044(2) Uani 0.398(7) 1 d . . P B 2
H28' H 1.0459 0.5030 0.6377 0.052 Uiso 0.398(7) 1 calc R U P B 2
C29 C 0.5956(6) 0.5591(5) 0.6553(4) 0.0547(16) Uani 1 1 d . . . . .
H29 H 0.5242 0.5422 0.6941 0.066 Uiso 0.602(7) 1 calc R U P B 1
H29' H 0.5146 0.5547 0.6808 0.066 Uiso 0.398(7) 1 calc R U P B 2
C30 C 1.0749(6) 0.7523(5) 0.4100(4) 0.0631(18) Uani 1 1 d . . . . .
H30A H 1.0146 0.7856 0.3758 0.095 Uiso 1 1 calc R U . . .
H30B H 1.0787 0.7967 0.4407 0.095 Uiso 1 1 calc R U . . .
H30C H 1.1550 0.7294 0.3692 0.095 Uiso 1 1 calc R U . . .
C31 C 0.4986(5) 0.7032(5) 0.5586(4) 0.0598(17) Uani 1 1 d . . . . .
H31A H 0.4259 0.6841 0.5982 0.090 Uiso 1 1 calc R U . . .
H31B H 0.4937 0.7659 0.5662 0.090 Uiso 1 1 calc R U . . .
H31C H 0.5034 0.7076 0.4963 0.090 Uiso 1 1 calc R U . . .
C32 C 1.1828(5) 0.7099(5) 0.1247(4) 0.0473(14) Uani 1 1 d . . . . .
C33 C 1.0578(5) 0.7450(4) 0.1800(3) 0.0367(12) Uani 1 1 d . . . . .
C34 C 0.9650(5) 0.8239(4) 0.1587(3) 0.0391(12) Uani 1 1 d . . . . .
H34 H 0.9657 0.8672 0.1025 0.047 Uiso 1 1 calc R U . . .
C35 C 0.8696(5) 0.8266(4) 0.2370(3) 0.0349(11) Uani 1 1 d . . . . .
C36 C 0.7410(5) 0.8893(4) 0.2581(4) 0.0406(12) Uani 1 1 d . . . . .
C37 C 0.6595(4) 0.8252(3) 0.2913(3) 0.0332(11) Uani 1 1 d . . . . .
C38 C 0.5660(5) 0.8261(4) 0.2607(3) 0.0378(12) Uani 1 1 d . . . . .
H38 H 0.5311 0.8735 0.2163 0.045 Uiso 1 1 calc R U . . .
C39 C 0.5357(4) 0.7422(4) 0.3099(3) 0.0336(11) Uani 1 1 d . . . . .
C40 C 0.4478(5) 0.7019(4) 0.3028(4) 0.0418(12) Uani 1 1 d . . . . .
C41 C 0.7194(6) 0.9454(4) 0.3302(4) 0.0545(16) Uani 1 1 d . . . . .
H41A H 0.6350 0.9860 0.3433 0.082 Uiso 1 1 calc R U . . .
H41B H 0.7349 0.8996 0.3849 0.082 Uiso 1 1 calc R U . . .
H41C H 0.7748 0.9857 0.3077 0.082 Uiso 1 1 calc R U . . .
C42 C 0.7148(6) 0.9623(4) 0.1742(4) 0.0587(17) Uani 1 1 d . . . . .
H42A H 0.6304 1.0030 0.1889 0.088 Uiso 1 1 calc R U . . .
H42B H 0.7703 1.0026 0.1517 0.088 Uiso 1 1 calc R U . . .
H42C H 0.7268 0.9284 0.1283 0.088 Uiso 1 1 calc R U . . .
F7 F 1.2684(3) 0.7077(3) 0.1585(2) 0.0709(12) Uani 1 1 d . . . . .
F8 F 1.2094(3) 0.6204(3) 0.1146(2) 0.0682(10) Uani 1 1 d . . . . .
F9 F 1.2018(4) 0.7643(3) 0.0419(2) 0.0749(11) Uani 1 1 d . . . . .
F10 F 0.4998(3) 0.6345(3) 0.2531(2) 0.0653(10) Uani 1 1 d . . . . .
F11 F 0.3632(3) 0.7671(3) 0.2669(3) 0.0736(12) Uani 1 1 d . . . . .
F12 F 0.3902(3) 0.6576(3) 0.3817(2) 0.0595(9) Uani 1 1 d . . . . .
O1 O 0.3780(3) 0.5055(3) 0.5583(2) 0.0423(8) Uani 1 1 d . . . . .
H1A H 0.3718 0.4485 0.5769 0.063 Uiso 1 1 d R U . . .
H1B H 0.4423 0.5029 0.5687 0.063 Uiso 1 1 d R U . . .
O2 O 0.7264(4) 0.4117(3) 0.2847(2) 0.0544(10) Uani 1 1 d . . . . .
H2A H 0.7769 0.3559 0.2846 0.082 Uiso 1 1 d R U . . .
H2B H 0.7137 0.4220 0.3359 0.082 Uiso 1 1 d R U . . .
O3 O 0.6337(7) 0.7510(8) 0.7071(6) 0.138(3) Uani 1 1 d . . . . .
C43 C 0.7322(10) 0.7216(9) 0.7401(7) 0.116(4) Uani 1 1 d . . . . .
H43A H 0.7768 0.6541 0.7350 0.139 Uiso 1 1 calc R U . . .
H43B H 0.7038 0.7241 0.8044 0.139 Uiso 1 1 calc R U . . .
C44 C 0.8112(11) 0.7786(10) 0.6949(9) 0.124(4) Uani 1 1 d . . . . .
H44A H 0.8850 0.7437 0.6546 0.149 Uiso 1 1 calc R U . . .
H44B H 0.8363 0.7955 0.7380 0.149 Uiso 1 1 calc R U . . .
C45 C 0.743(2) 0.8685(12) 0.6414(12) 0.214(9) Uani 1 1 d . . . . .
H45A H 0.7251 0.9261 0.6650 0.257 Uiso 1 1 calc R U . . .
H45B H 0.7878 0.8791 0.5772 0.257 Uiso 1 1 calc R U . . .
C46 C 0.6301(14) 0.8423(10) 0.6568(11) 0.158(6) Uani 1 1 d . . . . .
H46A H 0.5591 0.8889 0.6878 0.189 Uiso 1 1 calc R U . . .
H46B H 0.6188 0.8469 0.5984 0.189 Uiso 1 1 calc R U . . .


_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 C6 1.982(4) . ?
Pt1 C1 1.985(5) . ?
Pt1 N2 2.049(4) . ?
Pt1 N3 2.053(4) . ?
N1 C12 1.335(6) . ?
N1 N2 1.373(5) . ?
N2 C14 1.355(6) . ?
N3 C16 1.359(6) . ?
N3 N4 1.362(5) . ?
N4 C18 1.353(6) . ?
N5 C5 1.352(7) . ?
N5 C1 1.355(6) . ?
N5 C9 1.476(7) . ?
N6 C6 1.376(6) . ?
N6 C7 1.399(6) . ?
N6 C2 1.401(6) . ?
N7 C6 1.328(6) . ?
N7 C10 1.445(7) . ?
N7 C8 1.460(7) . ?
C1 C2 1.391(6) . ?
C2 C3 1.363(7) . ?
C3 C4 1.348(9) . ?
C4 C5 1.297(10) . ?
C7 C8 1.408(8) . ?
C11 F3 1.327(6) . ?
C11 F1 1.333(6) . ?
C11 F2 1.344(7) . ?
C11 C12 1.490(7) . ?
C12 C13 1.375(7) . ?
C13 C14 1.386(7) . ?
C14 C15 1.504(7) . ?
C15 C16 1.511(7) . ?
C15 C21 1.527(7) . ?
C15 C20 1.535(8) . ?
C16 C17 1.371(7) . ?
C17 C18 1.390(7) . ?
C18 C19 1.457(7) . ?
C19 F5 1.306(7) . ?
C19 F6' 1.335(10) . ?
C19 F6 1.341(8) . ?
C19 F4 1.342(7) . ?
C19 F4' 1.35(4) . ?
C19 F5' 1.36(3) . ?
Pt2 C22 1.981(5) . ?
Pt2 C27 1.982(5) . ?
Pt2 N9 2.042(4) . ?
Pt2 N10 2.049(4) . ?
N8 C33 1.333(6) . ?
N8 N9 1.351(5) . ?
N9 C35 1.358(6) . ?
N10 C37 1.350(6) . ?
N10 N11 1.353(5) . ?
N11 C39 1.340(6) . ?
N12 C26 1.353(6) . ?
N12 C22 1.355(6) . ?
N12 C30 1.465(7) . ?
N13 C27 1.366(7) . ?
N13 C28 1.426(11) . ?
N13 C23 1.432(7) . ?
C23' C27 1.366(7) . ?
C23' C24' 1.371(14) . ?
C23' N13' 1.432(7) . ?
N14 C27 1.339(6) . ?
N14 C29 1.370(7) . ?
N14 C31 1.464(7) . ?
C22 N13' 1.377(7) . ?
C22 C23 1.377(7) . ?
C23 C24 1.376(9) . ?
N13' C28' 1.467(19) . ?
C24 C25 1.383(14) . ?
C25 C26 1.245(11) . ?
C24' C25' 1.40(2) . ?
C25' C29 1.180(16) . ?
C26 C28' 1.476(18) . ?
C28 C29 1.475(13) . ?
C32 F7 1.332(6) . ?
C32 F8 1.332(7) . ?
C32 F9 1.341(6) . ?
C32 C33 1.474(7) . ?
C33 C34 1.374(7) . ?
C34 C35 1.395(7) . ?
C35 C36 1.497(7) . ?
C36 C37 1.498(7) . ?
C36 C42 1.526(7) . ?
C36 C41 1.556(8) . ?
C37 C38 1.396(6) . ?
C38 C39 1.385(7) . ?
C39 C40 1.471(7) . ?
C40 F11 1.314(6) . ?
C40 F12 1.334(6) . ?
C40 F10 1.341(6) . ?
O3 C43 1.365(11) . ?
O3 C46 1.374(14) . ?
C43 C44 1.395(13) . ?
C44 C45 1.512(18) . ?
C45 C46 1.491(19) . ?

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
C6 Pt1 C1 79.09(19) . . ?
C6 Pt1 N2 173.04(16) . . ?
C1 Pt1 N2 98.56(17) . . ?
C6 Pt1 N3 99.20(17) . . ?
C1 Pt1 N3 176.76(16) . . ?
N2 Pt1 N3 82.81(15) . . ?
C12 N1 N2 103.9(4) . . ?
C14 N2 N1 111.2(4) . . ?
C14 N2 Pt1 125.0(3) . . ?
N1 N2 Pt1 123.6(3) . . ?
C16 N3 N4 110.5(4) . . ?
C16 N3 Pt1 124.7(3) . . ?
N4 N3 Pt1 124.8(3) . . ?
C18 N4 N3 104.5(4) . . ?
C5 N5 C1 122.6(5) . . ?
C5 N5 C9 115.4(5) . . ?
C1 N5 C9 121.8(4) . . ?
C6 N6 C7 113.2(4) . . ?
C6 N6 C2 115.3(4) . . ?
C7 N6 C2 129.5(4) . . ?
C6 N7 C10 126.2(5) . . ?
C6 N7 C8 109.1(5) . . ?
C10 N7 C8 124.6(5) . . ?
N5 C1 C2 113.0(4) . . ?
N5 C1 Pt1 133.0(4) . . ?
C2 C1 Pt1 114.0(3) . . ?
C3 C2 C1 122.7(5) . . ?
C3 C2 N6 124.2(5) . . ?
C1 C2 N6 112.6(4) . . ?
C4 C3 C2 120.1(6) . . ?
C5 C4 C3 117.7(7) . . ?
C4 C5 N5 123.1(7) . . ?
N7 C6 N6 106.8(4) . . ?
N7 C6 Pt1 140.1(4) . . ?
N6 C6 Pt1 113.0(3) . . ?
N6 C7 C8 103.5(4) . . ?
C7 C8 N7 107.4(5) . . ?
F3 C11 F1 107.0(5) . . ?
F3 C11 F2 106.6(5) . . ?
F1 C11 F2 105.1(5) . . ?
F3 C11 C12 111.6(5) . . ?
F1 C11 C12 113.1(5) . . ?
F2 C11 C12 113.0(5) . . ?
N1 C12 C13 113.2(4) . . ?
N1 C12 C11 119.6(5) . . ?
C13 C12 C11 127.2(5) . . ?
C12 C13 C14 104.5(4) . . ?
N2 C14 C13 107.2(4) . . ?
N2 C14 C15 120.6(4) . . ?
C13 C14 C15 132.1(5) . . ?
C14 C15 C16 108.2(4) . . ?
C14 C15 C21 108.9(4) . . ?
C16 C15 C21 110.3(5) . . ?
C14 C15 C20 109.4(4) . . ?
C16 C15 C20 111.3(4) . . ?
C21 C15 C20 108.7(5) . . ?
N3 C16 C17 108.7(4) . . ?
N3 C16 C15 120.6(4) . . ?
C17 C16 C15 130.7(4) . . ?
C16 C17 C18 104.1(4) . . ?
N4 C18 C17 112.2(4) . . ?
N4 C18 C19 120.0(5) . . ?
C17 C18 C19 127.8(5) . . ?
F5 C19 F6 105.8(6) . . ?
F5 C19 F4 104.9(6) . . ?
F6 C19 F4 100.8(6) . . ?
F6' C19 F4' 98.4(19) . . ?
F6' C19 F5' 117.3(19) . . ?
F4' C19 F5' 108.4(18) . . ?
F5 C19 C18 115.1(5) . . ?
F6' C19 C18 115.9(13) . . ?
F6 C19 C18 115.0(5) . . ?
F4 C19 C18 113.7(5) . . ?
F4' C19 C18 111.1(13) . . ?
F5' C19 C18 105.5(11) . . ?
C22 Pt2 C27 78.8(2) . . ?
C22 Pt2 N9 98.91(19) . . ?
C27 Pt2 N9 171.16(18) . . ?
C22 Pt2 N10 175.69(18) . . ?
C27 Pt2 N10 99.44(18) . . ?
N9 Pt2 N10 82.20(15) . . ?
C33 N8 N9 105.0(4) . . ?
N8 N9 C35 111.8(4) . . ?
N8 N9 Pt2 122.1(3) . . ?
C35 N9 Pt2 125.4(3) . . ?
C37 N10 N11 111.1(4) . . ?
C37 N10 Pt2 125.3(3) . . ?
N11 N10 Pt2 123.5(3) . . ?
C39 N11 N10 105.4(4) . . ?
C26 N12 C22 117.4(5) . . ?
C26 N12 C30 120.3(5) . . ?
C22 N12 C30 122.1(5) . . ?
C27 N13 C28 107.4(6) . . ?
C27 N13 C23 113.4(4) . . ?
C28 N13 C23 138.5(6) . . ?
C27 C23' C24' 138.9(8) . . ?
C27 C23' N13' 113.4(4) . . ?
C24' C23' N13' 107.1(8) . . ?
C27 N14 C29 115.2(5) . . ?
C27 N14 C31 124.4(5) . . ?
C29 N14 C31 120.0(5) . . ?
N12 C22 N13' 110.4(4) . . ?
N12 C22 C23 110.4(4) . . ?
N12 C22 Pt2 134.6(4) . . ?
N13' C22 Pt2 115.0(4) . . ?
C23 C22 Pt2 115.0(4) . . ?
C24 C23 C22 132.7(6) . . ?
C24 C23 N13 114.0(6) . . ?
C22 C23 N13 113.0(4) . . ?
C22 N13' C23' 113.0(4) . . ?
C22 N13' C28' 100.9(8) . . ?
C23' N13' C28' 145.2(8) . . ?
C23 C24 C25 110.1(9) . . ?
C26 C25 C24 118.5(10) . . ?
C23' C24' C25' 104.2(12) . . ?
C29 C25' C24' 119.6(16) . . ?
C25 C26 N12 130.7(7) . . ?
N12 C26 C28' 97.9(8) . . ?
N14 C27 C23' 107.8(4) . . ?
N14 C27 N13 107.8(4) . . ?
N14 C27 Pt2 137.1(4) . . ?
C23' C27 Pt2 114.6(4) . . ?
N13 C27 Pt2 114.6(4) . . ?
N13 C28 C29 107.6(8) . . ?
N13' C28' C26 113.4(12) . . ?
C25' C29 N14 134.1(11) . . ?
N14 C29 C28 101.7(6) . . ?
F7 C32 F8 104.9(5) . . ?
F7 C32 F9 106.9(4) . . ?
F8 C32 F9 106.0(4) . . ?
F7 C32 C33 113.5(4) . . ?
F8 C32 C33 113.2(4) . . ?
F9 C32 C33 111.8(5) . . ?
N8 C33 C34 111.9(5) . . ?
N8 C33 C32 118.6(5) . . ?
C34 C33 C32 129.4(5) . . ?
C33 C34 C35 105.3(4) . . ?
N9 C35 C34 105.9(5) . . ?
N9 C35 C36 121.1(4) . . ?
C34 C35 C36 132.9(5) . . ?
C35 C36 C37 107.3(4) . . ?
C35 C36 C42 110.2(5) . . ?
C37 C36 C42 109.9(4) . . ?
C35 C36 C41 110.4(4) . . ?
C37 C36 C41 110.8(5) . . ?
C42 C36 C41 108.2(5) . . ?
N10 C37 C38 107.5(4) . . ?
N10 C37 C36 121.3(4) . . ?
C38 C37 C36 130.9(4) . . ?
C39 C38 C37 104.2(4) . . ?
N11 C39 C38 111.8(4) . . ?
N11 C39 C40 119.2(4) . . ?
C38 C39 C40 128.9(4) . . ?
F11 C40 F12 106.7(5) . . ?
F11 C40 F10 106.1(4) . . ?
F12 C40 F10 104.3(4) . . ?
F11 C40 C39 113.0(4) . . ?
F12 C40 C39 112.9(4) . . ?
F10 C40 C39 113.0(5) . . ?
C43 O3 C46 106.0(10) . . ?
O3 C43 C44 112.2(11) . . ?
C43 C44 C45 107.0(12) . . ?
C46 C45 C44 99.9(11) . . ?
O3 C46 C45 112.6(12) . . ?

_refine_diff_density_max         1.836
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.127


