# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1438423'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
#######################################################################



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H31 Cl F6 N7 P Pt'
_chemical_formula_weight         853.12

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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                   9.1269(5)
_cell_length_b                   25.3776(16)
_cell_length_c                   15.1848(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.5720(10)
_cell_angle_gamma                90.00
_cell_volume                     3371.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3261
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      24.97

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.681
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1672
_exptl_absorpt_coefficient_mu    4.353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8117
_exptl_absorpt_correction_T_max  0.9180
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20481
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.60
_diffrn_reflns_theta_max         25.11
_reflns_number_total             5959
_reflns_number_gt                4048
_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          SQUEEZE

_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)+(0.0471P)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         5959
_refine_ls_number_parameters     414
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.0947
_refine_ls_wR_factor_gt          0.0857
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_restrained_S_all      0.963
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0623(9) 0.3223(3) 0.2189(5) 0.0597(19) Uani 1 1 d . . .
C2 C 0.0239(10) 0.3039(3) 0.1312(5) 0.070(2) Uani 1 1 d . . .
H2 H 0.0527 0.3223 0.0858 0.084 Uiso 1 1 calc R . .
C3 C -0.0571(9) 0.2584(4) 0.1107(5) 0.072(2) Uani 1 1 d . . .
H3 H -0.0858 0.2464 0.0504 0.087 Uiso 1 1 calc R . .
C4 C -0.0975(9) 0.2299(3) 0.1765(5) 0.068(2) Uani 1 1 d . . .
H4 H -0.1512 0.1984 0.1619 0.082 Uiso 1 1 calc R . .
C5 C -0.0559(8) 0.2493(3) 0.2663(5) 0.0558(19) Uani 1 1 d . . .
C6 C -0.0845(8) 0.2289(3) 0.3490(5) 0.0533(18) Uani 1 1 d . . .
C7 C -0.0333(8) 0.2566(2) 0.4299(5) 0.0492(17) Uani 1 1 d . . .
C8 C -0.2380(12) 0.1434(3) 0.3026(6) 0.094(3) Uani 1 1 d . . .
H8A H -0.2868 0.1200 0.3352 0.142 Uiso 1 1 calc R . .
H8B H -0.1637 0.1242 0.2816 0.142 Uiso 1 1 calc R . .
H8C H -0.3133 0.1581 0.2509 0.142 Uiso 1 1 calc R . .
C9 C -0.0660(8) 0.2338(3) 0.5874(5) 0.0523(17) Uani 1 1 d . . .
C10 C -0.1450(8) 0.2742(3) 0.6143(5) 0.0584(19) Uani 1 1 d . . .
C11 C -0.1327(10) 0.2768(3) 0.7064(6) 0.073(2) Uani 1 1 d . . .
H11 H -0.1829 0.3040 0.7270 0.087 Uiso 1 1 calc R . .
C12 C -0.0515(11) 0.2419(4) 0.7687(6) 0.077(2) Uani 1 1 d . . .
C13 C 0.0307(9) 0.2043(3) 0.7390(6) 0.068(2) Uani 1 1 d . . .
H13 H 0.0940 0.1821 0.7821 0.082 Uiso 1 1 calc R . .
C14 C 0.0237(9) 0.1981(3) 0.6481(6) 0.066(2) Uani 1 1 d . . .
C15 C -0.2385(10) 0.3142(3) 0.5502(6) 0.081(3) Uani 1 1 d . . .
H15A H -0.2521 0.3032 0.4879 0.122 Uiso 1 1 calc R . .
H15B H -0.1869 0.3476 0.5601 0.122 Uiso 1 1 calc R . .
H15C H -0.3365 0.3176 0.5613 0.122 Uiso 1 1 calc R . .
C16 C -0.0451(12) 0.2456(5) 0.8696(6) 0.110(4) Uani 1 1 d . . .
H16A H 0.0447 0.2647 0.9022 0.165 Uiso 1 1 calc R . .
H16B H -0.0417 0.2108 0.8949 0.165 Uiso 1 1 calc R . .
H16C H -0.1343 0.2636 0.8754 0.165 Uiso 1 1 calc R . .
C17 C 0.1152(10) 0.1562(3) 0.6179(6) 0.081(3) Uani 1 1 d . . .
H17A H 0.0485 0.1281 0.5886 0.122 Uiso 1 1 calc R . .
H17B H 0.1915 0.1427 0.6704 0.122 Uiso 1 1 calc R . .
H17C H 0.1640 0.1710 0.5753 0.122 Uiso 1 1 calc R . .
C18 C 0.1422(8) 0.3695(3) 0.2603(5) 0.0531(18) Uani 1 1 d . . .
C19 C 0.1570(8) 0.3810(3) 0.3517(5) 0.0516(17) Uani 1 1 d . . .
C20 C 0.2165(11) 0.4180(4) 0.1308(6) 0.092(3) Uani 1 1 d . . .
H20A H 0.2896 0.4454 0.1317 0.137 Uiso 1 1 calc R . .
H20B H 0.1187 0.4281 0.0908 0.137 Uiso 1 1 calc R . .
H20C H 0.2495 0.3859 0.1089 0.137 Uiso 1 1 calc R . .
C21 C 0.2570(8) 0.4625(3) 0.4436(5) 0.0546(18) Uani 1 1 d . . .
C22 C 0.1622(8) 0.5066(3) 0.4362(6) 0.060(2) Uani 1 1 d . . .
C23 C 0.1850(10) 0.5369(3) 0.5155(6) 0.070(2) Uani 1 1 d . . .
H23 H 0.1217 0.5658 0.5147 0.084 Uiso 1 1 calc R . .
C24 C 0.2969(10) 0.5258(3) 0.5942(6) 0.073(2) Uani 1 1 d . . .
C25 C 0.3878(9) 0.4823(3) 0.5964(6) 0.072(2) Uani 1 1 d . . .
H25 H 0.4632 0.4743 0.6504 0.087 Uiso 1 1 calc R . .
C26 C 0.3703(9) 0.4503(3) 0.5208(6) 0.0577(19) Uani 1 1 d . . .
C27 C 0.0422(10) 0.5213(3) 0.3486(6) 0.081(3) Uani 1 1 d . . .
H27A H 0.0904 0.5371 0.3066 0.122 Uiso 1 1 calc R . .
H27B H -0.0282 0.5459 0.3622 0.122 Uiso 1 1 calc R . .
H27C H -0.0120 0.4902 0.3213 0.122 Uiso 1 1 calc R . .
C28 C 0.3179(11) 0.5603(4) 0.6778(7) 0.109(4) Uani 1 1 d . . .
H28A H 0.2501 0.5900 0.6625 0.163 Uiso 1 1 calc R . .
H28B H 0.4217 0.5725 0.6980 0.163 Uiso 1 1 calc R . .
H28C H 0.2952 0.5404 0.7261 0.163 Uiso 1 1 calc R . .
C29 C 0.4701(9) 0.4027(3) 0.5251(6) 0.076(2) Uani 1 1 d . . .
H29A H 0.4111 0.3714 0.5249 0.114 Uiso 1 1 calc R . .
H29B H 0.5536 0.4039 0.5805 0.114 Uiso 1 1 calc R . .
H29C H 0.5095 0.4025 0.4729 0.114 Uiso 1 1 calc R . .
Cl1 Cl 0.1221(2) 0.35796(7) 0.55774(12) 0.0628(5) Uani 1 1 d . . .
F1 F 0.7010(16) 0.3479(4) 0.8824(14) 0.319(10) Uani 1 1 d . . .
F2 F 0.805(3) 0.4540(4) 0.8790(13) 0.392(13) Uani 1 1 d . . .
F3 F 0.8282(15) 0.4054(7) 0.9806(8) 0.307(8) Uani 1 1 d . . .
F4 F 0.6083(15) 0.4141(7) 0.9029(11) 0.323(9) Uani 1 1 d . . .
F5 F 0.9036(15) 0.3812(5) 0.8705(14) 0.304(8) Uani 1 1 d . . .
F6 F 0.699(3) 0.3993(11) 0.7864(9) 0.427(13) Uani 1 1 d . . .
N1 N 0.0226(7) 0.2945(2) 0.2850(4) 0.0538(15) Uani 1 1 d . . .
N2 N -0.1627(8) 0.1854(2) 0.3633(4) 0.0669(18) Uani 1 1 d . . .
N3 N -0.1611(8) 0.1833(2) 0.4516(5) 0.0694(18) Uani 1 1 d . . .
N4 N -0.0838(7) 0.2269(2) 0.4900(4) 0.0543(15) Uani 1 1 d . . .
N5 N 0.2266(7) 0.4286(2) 0.3628(4) 0.0577(16) Uani 1 1 d . . .
N6 N 0.2580(8) 0.4469(2) 0.2870(5) 0.0679(18) Uani 1 1 d . . .
N7 N 0.2040(8) 0.4098(2) 0.2243(5) 0.0673(17) Uani 1 1 d . . .
P1 P 0.7567(6) 0.40084(15) 0.8820(3) 0.1297(12) Uani 1 1 d . . .
Pt1 Pt 0.07106(3) 0.323897(10) 0.413215(18) 0.04760(11) 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
C1 N1 1.358(8) . ?
C1 C2 1.359(10) . ?
C1 C18 1.448(10) . ?
C2 C3 1.358(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.367(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(9) . ?
C4 H4 0.9300 . ?
C5 N1 1.340(8) . ?
C5 C6 1.449(9) . ?
C6 N2 1.364(8) . ?
C6 C7 1.375(9) . ?
C7 N4 1.361(8) . ?
C7 Pt1 2.007(6) . ?
C8 N2 1.448(9) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C14 1.381(10) . ?
C9 C10 1.381(10) . ?
C9 N4 1.451(8) . ?
C10 C11 1.371(10) . ?
C10 C15 1.495(10) . ?
C11 C12 1.353(11) . ?
C11 H11 0.9300 . ?
C12 C13 1.367(11) . ?
C12 C16 1.519(11) . ?
C13 C14 1.372(10) . ?
C13 H13 0.9300 . ?
C14 C17 1.504(11) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N7 1.356(8) . ?
C18 C19 1.387(9) . ?
C19 N5 1.354(8) . ?
C19 Pt1 2.001(7) . ?
C20 N7 1.472(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C26 1.360(10) . ?
C21 C22 1.400(9) . ?
C21 N5 1.458(9) . ?
C22 C23 1.394(10) . ?
C22 C27 1.508(11) . ?
C23 C24 1.362(11) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(11) . ?
C24 C28 1.510(11) . ?
C25 C26 1.378(10) . ?
C25 H25 0.9300 . ?
C26 C29 1.503(10) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
Cl1 Pt1 2.2798(18) . ?
F1 P1 1.436(10) . ?
F2 P1 1.423(11) . ?
F3 P1 1.457(11) . ?
F4 P1 1.514(12) . ?
F5 P1 1.487(11) . ?
F6 P1 1.396(13) . ?
N1 Pt1 2.013(5) . ?
N2 N3 1.337(8) . ?
N3 N4 1.352(8) . ?
N5 N6 1.346(8) . ?
N6 N7 1.329(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 119.8(7) . . ?
N1 C1 C18 108.4(6) . . ?
C2 C1 C18 131.8(7) . . ?
C1 C2 C3 119.2(7) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 121.7(7) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 118.1(7) . . ?
C3 C4 H4 121.0 . . ?
C5 C4 H4 121.0 . . ?
N1 C5 C4 119.3(7) . . ?
N1 C5 C6 109.9(6) . . ?
C4 C5 C6 130.8(7) . . ?
N2 C6 C7 109.3(6) . . ?
N2 C6 C5 131.2(6) . . ?
C7 C6 C5 119.5(6) . . ?
N4 C7 C6 102.9(6) . . ?
N4 C7 Pt1 144.9(5) . . ?
C6 C7 Pt1 112.0(5) . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C14 C9 C10 123.3(7) . . ?
C14 C9 N4 118.4(7) . . ?
C10 C9 N4 118.3(6) . . ?
C11 C10 C9 116.1(7) . . ?
C11 C10 C15 119.8(8) . . ?
C9 C10 C15 124.1(7) . . ?
C12 C11 C10 123.4(8) . . ?
C12 C11 H11 118.3 . . ?
C10 C11 H11 118.3 . . ?
C11 C12 C13 117.9(8) . . ?
C11 C12 C16 121.4(9) . . ?
C13 C12 C16 120.6(9) . . ?
C12 C13 C14 122.6(8) . . ?
C12 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C13 C14 C9 116.5(7) . . ?
C13 C14 C17 121.2(8) . . ?
C9 C14 C17 122.3(7) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N7 C18 C19 108.1(6) . . ?
N7 C18 C1 131.7(7) . . ?
C19 C18 C1 120.1(6) . . ?
N5 C19 C18 102.7(6) . . ?
N5 C19 Pt1 145.2(5) . . ?
C18 C19 Pt1 112.1(5) . . ?
N7 C20 H20A 109.5 . . ?
N7 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N7 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 123.5(7) . . ?
C26 C21 N5 120.5(6) . . ?
C22 C21 N5 116.0(7) . . ?
C23 C22 C21 115.9(7) . . ?
C23 C22 C27 121.1(7) . . ?
C21 C22 C27 123.0(7) . . ?
C24 C23 C22 122.2(8) . . ?
C24 C23 H23 118.9 . . ?
C22 C23 H23 118.9 . . ?
C23 C24 C25 119.0(8) . . ?
C23 C24 C28 120.0(9) . . ?
C25 C24 C28 121.0(9) . . ?
C24 C25 C26 121.8(8) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C21 C26 C25 117.6(7) . . ?
C21 C26 C29 121.5(7) . . ?
C25 C26 C29 120.8(7) . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C5 N1 C1 121.9(6) . . ?
C5 N1 Pt1 118.6(5) . . ?
C1 N1 Pt1 119.4(5) . . ?
N3 N2 C6 109.6(6) . . ?
N3 N2 C8 118.4(6) . . ?
C6 N2 C8 132.0(7) . . ?
N2 N3 N4 104.8(6) . . ?
N3 N4 C7 113.4(6) . . ?
N3 N4 C9 115.5(6) . . ?
C7 N4 C9 131.1(6) . . ?
N6 N5 C19 114.1(6) . . ?
N6 N5 C21 118.7(6) . . ?
C19 N5 C21 126.9(6) . . ?
N7 N6 N5 104.0(6) . . ?
N6 N7 C18 111.0(6) . . ?
N6 N7 C20 118.4(6) . . ?
C18 N7 C20 130.6(7) . . ?
F6 P1 F2 91.2(12) . . ?
F6 P1 F1 87.1(11) . . ?
F2 P1 F1 177.3(13) . . ?
F6 P1 F3 174.8(13) . . ?
F2 P1 F3 84.6(10) . . ?
F1 P1 F3 97.1(10) . . ?
F6 P1 F5 87.4(10) . . ?
F2 P1 F5 91.0(10) . . ?
F1 P1 F5 91.1(7) . . ?
F3 P1 F5 89.5(9) . . ?
F6 P1 F4 97.4(12) . . ?
F2 P1 F4 95.7(9) . . ?
F1 P1 F4 82.4(9) . . ?
F3 P1 F4 86.1(8) . . ?
F5 P1 F4 171.7(10) . . ?
C19 Pt1 C7 159.8(3) . . ?
C19 Pt1 N1 79.9(3) . . ?
C7 Pt1 N1 79.9(2) . . ?
C19 Pt1 Cl1 100.1(2) . . ?
C7 Pt1 Cl1 100.1(2) . . ?
N1 Pt1 Cl1 179.00(17) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.11
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.726
_refine_diff_density_min         -0.436
_refine_diff_density_rms         0.104

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 0.000 1.000 0.500 159 23 ' '
2 0.500 0.500 1.000 159 23 ' '
_platon_squeeze_details          ?
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1438424'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C c'
_symmetry_Int_Tables_number      9
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 x,-y,1/2+z
3 1/2+x,1/2+y,z
4 1/2+x,1/2-y,1/2+z
_cell_length_a                   19.7610(5)
_cell_length_b                   13.1217(3)
_cell_length_c                   15.7217(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 122.84
_cell_angle_gamma                90.00
_cell_volume                     3425.11
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt1 Pt 0.459616(19) 0.347746(14) 0.11833(2)
N1 N 0.3696(10) 0.3434(6) -0.0283(12)
N2 N 0.4469(3) 0.4471(5) -0.0503(4)
N3 N 0.5648(4) 0.4921(6) 0.0720(5)
N4 N 0.3138(3) 0.2380(5) 0.0351(4)
N5 N 0.3800(5) 0.1903(6) 0.1903(5)
N6 N 0.5973(4) 0.3656(5) 0.3433(5)
C1 C 0.5008(4) 0.4389(5) 0.0529(5)
C2 C 0.3854(4) 0.2502(5) 0.1267(5)
C3 C 0.5491(12) 0.3568(8) 0.2578(14)
C4 C 0.3021(4) 0.2901(5) -0.0503(5)
C5 C 0.2350(4) 0.2895(6) -0.1475(5)
H5 H 0.1890 0.2528 -0.1649
C6 C 0.2400(5) 0.3475(5) -0.2187(6)
H6 H 0.1959 0.3489 -0.2852
C7 C 0.3080(5) 0.4029(6) -0.1939(5)
H7 H 0.3103 0.4414 -0.2420
C8 C 0.3719(5) 0.3982(5) -0.0950(5)
C9 C 0.4783(5) 0.5063(6) -0.0934(6)
H9 H 0.4535 0.5232 -0.1614
C10 C 0.5525(5) 0.5346(7) -0.0163(6)
H10 H 0.5887 0.5752 -0.0214
C11 C 0.2642(5) 0.1694(6) 0.0427(6)
H11 H 0.2129 0.1488 -0.0086
C12 C 0.3060(5) 0.1385(6) 0.1402(6)
H12 H 0.2889 0.0915 0.1689
C13 C 0.6377(5) 0.5008(7) 0.1710(7)
C14 C 0.7048(5) 0.4427(6) 0.1919(6)
C15 C 0.7744(5) 0.4513(7) 0.2884(7)
H15 H 0.8194 0.4127 0.3049
C16 C 0.7781(6) 0.5173(8) 0.3619(7)
C17 C 0.7104(7) 0.5736(9) 0.3345(8)
H17 H 0.7134 0.6194 0.3816
C18 C 0.6386(5) 0.5670(7) 0.2421(7)
C19 C 0.7021(6) 0.3735(7) 0.1145(8)
H19A H 0.6997 0.4136 0.0618
H19B H 0.6553 0.3308 0.0860
H19C H 0.7497 0.3319 0.1459
C20 C 0.8564(7) 0.5230(11) 0.4666(8)
H20A H 0.9014 0.5257 0.4592
H20B H 0.8609 0.4637 0.5052
H20C H 0.8558 0.5830 0.5012
C21 C 0.5679(7) 0.6240(9) 0.2209(9)
H21A H 0.5845 0.6852 0.2606
H21B H 0.5365 0.5831 0.2377
H21C H 0.5360 0.6412 0.1503
C22 C 0.4417(5) 0.1784(6) 0.2966(6)
C23 C 0.5121(5) 0.1245(6) 0.3228(6)
C24 C 0.5713(6) 0.1164(7) 0.4255(6)
H24 H 0.6194 0.0834 0.4457
C25 C 0.5597(6) 0.1566(7) 0.4981(7)
C26 C 0.4883(7) 0.2102(8) 0.4647(8)
H26 H 0.4817 0.2410 0.5130
C27 C 0.4284(5) 0.2198(6) 0.3662(6)
C28 C 0.5246(6) 0.0769(7) 0.2444(7)
H28A H 0.5705 0.0325 0.2774
H28B H 0.5335 0.1296 0.2093
H28C H 0.4776 0.0385 0.1970
C29 C 0.6262(9) 0.1462(9) 0.6103(7)
H29A H 0.6604 0.2052 0.6317
H29B H 0.6575 0.0863 0.6201
H29C H 0.6024 0.1407 0.6495
C30 C 0.3532(5) 0.2772(7) 0.3346(7)
H30A H 0.3607 0.3160 0.3908
H30B H 0.3096 0.2301 0.3126
H30C H 0.3409 0.3223 0.2800
P1 P 0.28081(14) 0.40992(19) 0.53351(18)
F1 F 0.2404(10) 0.3228(14) 0.4559(13)
F10 F 0.3476(4) 0.4236(6) 0.5064(5)
F2 F 0.2331(10) 0.4920(17) 0.4527(16)
F3 F 0.3205(13) 0.4989(13) 0.6152(15)
F9 F 0.2151(3) 0.3988(5) 0.5614(4)
F4 F 0.3304(9) 0.3342(13) 0.6218(13)
Cl1 Cl 0.0226(3) 0.3301(4) 0.5035(4)
Cl2 Cl -0.0461(3) 0.2971(5) 0.2885(4)
C31 C 0.0330(9) 0.3460(9) 0.4009(10)
H31A H 0.0380 0.4181 0.3921
H31B H 0.0824 0.3131 0.4164
F1' F 0.2968(14) 0.2946(16) 0.5335(19)
F3' F 0.3540(9) 0.4195(16) 0.6441(12)
F2' F 0.2082(17) 0.408(3) 0.420(2)
F4' F 0.2668(13) 0.5261(16) 0.533(2)

#END
####################################################################### 
# 
# 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_2H2O
_database_code_depnum_ccdc_archive 'CCDC 1438425'
_audit_update_record             
;
2016-02-19 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   19.3773(19)
_cell_length_b                   8.4921(9)
_cell_length_c                   22.294(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.745(2)
_cell_angle_gamma                90.00
_cell_volume                     3664.36
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pt1 Pt 0.311651(14) 0.86954(3) 0.182688(11)
N1 N 0.2148(3) 0.8574(7) 0.2010(2)
N2 N 0.3405(3) 0.9206(6) 0.3230(2)
N3 N 0.4256(3) 0.9241(6) 0.2632(2)
N4 N 0.4078(3) 0.8760(7) 0.1657(2)
N5 N 0.3711(3) 0.8247(6) 0.0705(2)
N6 N 0.2611(3) 0.8038(7) 0.0470(2)
C1 C 0.4953(4) 0.8480(9) 0.0938(3)
H1 H 0.5075 0.8302 0.0545
C2 C 0.5455(4) 0.8748(10) 0.1403(3)
H2 H 0.5922 0.8727 0.1323
C3 C 0.5253(4) 0.9042(9) 0.1979(3)
H3 H 0.5584 0.9244 0.2286
C4 C 0.4573(4) 0.9034(8) 0.2095(3)
C6 C 0.4282(3) 0.8493(7) 0.1089(3)
C8 C 0.3626(4) 0.7906(8) 0.0090(3)
H8 H 0.3978 0.7788 -0.0176
C9 C 0.2964(4) 0.7786(9) -0.0041(3)
H9 H 0.2764 0.7565 -0.0420
C11 C 0.3076(4) 0.8277(7) 0.0939(3)
C12 C 0.1867(3) 0.7993(8) 0.0526(3)
C13 C 0.1565(4) 0.6582(8) 0.0660(3)
C14 C 0.1992(6) 0.5089(10) 0.0717(4)
H14A H 0.1692 0.4206 0.0772
H14B H 0.2314 0.5176 0.1056
H14C H 0.2240 0.4940 0.0358
C15 C 0.1506(4) 0.9406(8) 0.0481(3)
C16 C 0.0820(4) 0.9327(10) 0.0570(3)
H16 H 0.0565 1.0255 0.0543
C17 C 0.0871(4) 0.6581(9) 0.0736(4)
H17 H 0.0654 0.5632 0.0816
C19 C 0.1851(4) 1.0933(8) 0.0347(4)
H19A H 0.2055 1.0867 -0.0036
H19B H 0.2204 1.1148 0.0653
H19C H 0.1515 1.1765 0.0339
C20 C 0.3558(4) 0.9077(7) 0.2647(3)
C22 C 0.4552(4) 0.9480(9) 0.3217(3)
H22 H 0.5017 0.9623 0.3328
C23 C 0.4029(4) 0.9455(9) 0.3572(3)
H23 H 0.4065 0.9583 0.3987
C25 C 0.2740(3) 0.8917(8) 0.3457(3)
C26 C 0.2477(4) 0.7357(8) 0.3424(3)
C27 C 0.2884(4) 0.6012(8) 0.3169(3)
H27A H 0.2919 0.5169 0.3456
H27B H 0.3338 0.6373 0.3084
H27C H 0.2652 0.5642 0.2806
C28 C 0.1828(4) 0.7144(9) 0.3620(3)
H28 H 0.1640 0.6138 0.3594
C29 C 0.1428(4) 0.8341(8) 0.3858(3)
C30 C 0.0701(4) 0.8112(14) 0.4101(4)
H30A H 0.0740 0.7563 0.4478
H30B H 0.0421 0.7509 0.3818
H30C H 0.0491 0.9121 0.4158
C31 C 0.1738(4) 0.9816(9) 0.3905(3)
H31 H 0.1492 1.0635 0.4071
C32 C 0.2382(4) 1.0123(8) 0.3721(3)
C33 C 0.2664(4) 1.1775(8) 0.3761(4)
H33A H 0.2295 1.2513 0.3685
H33B H 0.3006 1.1913 0.3468
H33C H 0.2870 1.1951 0.4155
C35 C 0.1563(4) 0.8505(8) 0.2125(3)
C36 C 0.0854(4) 0.8329(10) 0.2263(4)
H36A H 0.0564 0.8749 0.1939
H36B H 0.0769 0.8888 0.2626
H36C H 0.0751 0.7233 0.2314
C37 C 0.0475(4) 0.7946(11) 0.0697(3)
C38 C -0.0297(4) 0.7887(14) 0.0790(4)
H38A H -0.0372 0.7615 0.1200
H38B H -0.0508 0.7109 0.0528
H38C H -0.0497 0.8899 0.0701
P1 P 0.11903(13) 0.3254(3) 0.23126(11)
F1 F 0.1720(3) 0.4606(8) 0.2146(3)
F2 F 0.1178(5) 0.4032(9) 0.2929(3)
F3 F 0.0573(4) 0.4269(10) 0.2074(5)
F4 F 0.0653(4) 0.2015(8) 0.2494(3)
F5 F 0.1195(5) 0.2524(10) 0.1670(3)
F6 F 0.1799(5) 0.2164(10) 0.2470(5)
P2 P 0.40765(11) 0.3052(2) 0.05603(9)
F7 F 0.3321(3) 0.2866(10) 0.0714(4)
F8 F 0.4275(4) 0.2184(6) 0.1183(2)
F9 F 0.4037(3) 0.1457(6) 0.0200(2)
F10 F 0.4860(3) 0.3156(9) 0.0463(3)
F11 F 0.4112(3) 0.4666(5) 0.0927(2)
F12 F 0.3896(4) 0.3947(7) -0.0035(3)
O1 O 0.3336(4) 0.2990(10) 0.2233(3)
H1O H 0.3411 0.3459 0.1817
H2O H 0.2893 0.3530 0.2006

#END
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1438426'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
#######################################################################


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H35 F12 N7 P2 Pt'
_chemical_formula_weight         1014.71

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   23.1671(10)
_cell_length_b                   8.6136(3)
_cell_length_c                   20.8355(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.4630(10)
_cell_angle_gamma                90.00
_cell_volume                     3814.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9988
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      26.60

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1992
_exptl_absorpt_coefficient_mu    3.857
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(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_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            33297
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         0.96
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7101
_reflns_number_gt                5769
_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, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0648P)²+2.4799P] 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         7101
_refine_ls_number_parameters     504
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.1025
_refine_ls_wR_factor_gt          0.0883
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_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 0.197307(8) 0.43291(2) 0.133720(9) 0.04103(9) Uani 1 1 d . . .
N3 N 0.2001(2) 0.4235(5) -0.0180(2) 0.0523(11) Uani 1 1 d . . .
C11 C 0.1839(2) 0.4409(5) 0.2234(3) 0.0433(11) Uani 1 1 d . . .
N1 N 0.10739(18) 0.3820(5) 0.0994(2) 0.0462(10) Uani 1 1 d . . .
N5 N 0.1230(2) 0.4103(5) 0.2133(3) 0.0496(11) Uani 1 1 d . . .
N6 N 0.2137(2) 0.4675(5) 0.2920(2) 0.0458(10) Uani 1 1 d . . .
C6 C 0.0798(2) 0.3732(7) 0.1452(3) 0.0493(12) Uani 1 1 d . . .
C12 C 0.1766(3) 0.4097(6) 0.0301(3) 0.0466(12) Uani 1 1 d . . .
C8 C 0.1145(3) 0.4199(7) 0.2748(3) 0.0580(15) Uani 1 1 d . . .
H8 H 0.0773 0.4044 0.2808 0.070 Uiso 1 1 calc R . .
C17 C 0.2654(3) 0.4646(7) -0.0012(3) 0.0549(14) Uani 1 1 d . . .
C18 C 0.2806(4) 0.6197(8) 0.0011(3) 0.0711(18) Uani 1 1 d . . .
C9 C 0.1708(3) 0.4559(7) 0.3243(3) 0.0556(14) Uani 1 1 d . . .
H9 H 0.1799 0.4707 0.3716 0.067 Uiso 1 1 calc R . .
N2 N 0.1140(2) 0.3708(6) -0.0061(2) 0.0564(11) Uani 1 1 d . . .
C2 C 0.0761(2) 0.3477(6) 0.0315(3) 0.0538(13) Uani 1 1 d . . .
C3 C 0.0148(3) 0.2976(7) 0.0069(3) 0.0655(16) Uani 1 1 d . . .
H3 H -0.0072 0.2722 -0.0400 0.079 Uiso 1 1 calc R . .
C19 C 0.3091(3) 0.3474(7) 0.0118(3) 0.0555(14) Uani 1 1 d . . .
C5 C 0.0181(2) 0.3268(7) 0.1240(3) 0.0628(15) Uani 1 1 d . . .
H5 H -0.0017 0.3229 0.1550 0.075 Uiso 1 1 calc R . .
C4 C -0.0128(3) 0.2864(7) 0.0545(4) 0.0730(18) Uani 1 1 d . . .
H4 H -0.0539 0.2501 0.0391 0.088 Uiso 1 1 calc R . .
C15 C 0.1538(3) 0.3946(8) -0.0835(3) 0.0679(17) Uani 1 1 d . . .
H15 H 0.1590 0.3981 -0.1254 0.082 Uiso 1 1 calc R . .
C21 C 0.3894(4) 0.5438(11) 0.0339(4) 0.080(2) Uani 1 1 d . . .
C14 C 0.1012(3) 0.3613(8) -0.0768(3) 0.0682(17) Uani 1 1 d . . .
H14 H 0.0629 0.3361 -0.1126 0.082 Uiso 1 1 calc R . .
C20 C 0.3710(3) 0.3919(9) 0.0292(3) 0.0712(18) Uani 1 1 d . . .
H20 H 0.4014 0.3150 0.0381 0.085 Uiso 1 1 calc R . .
C25 C 0.4086(3) 0.5417(8) 0.3835(3) 0.0580(15) Uani 1 1 d . . .
C27 C 0.3030(2) 0.6457(6) 0.3374(3) 0.0488(12) Uani 1 1 d . . .
C22 C 0.2806(2) 0.4942(6) 0.3264(3) 0.0438(11) Uani 1 1 d . . .
C29 C 0.2953(3) 0.2013(7) 0.3315(4) 0.0671(16) Uani 1 1 d . . .
H29A H 0.3289 0.1300 0.3556 0.101 Uiso 1 1 calc R . .
H29B H 0.2785 0.1795 0.2823 0.101 Uiso 1 1 calc R . .
H29C H 0.2628 0.1900 0.3487 0.101 Uiso 1 1 calc R . .
C23 C 0.3202(3) 0.3649(7) 0.3441(3) 0.0501(12) Uani 1 1 d . . .
C30 C 0.4797(3) 0.5709(9) 0.4107(4) 0.087(2) Uani 1 1 d . . .
H30A H 0.4915 0.5852 0.3719 0.130 Uiso 1 1 calc R . .
H30B H 0.5018 0.4833 0.4380 0.130 Uiso 1 1 calc R . .
H30C H 0.4902 0.6623 0.4395 0.130 Uiso 1 1 calc R . .
C24 C 0.3844(3) 0.3940(7) 0.3732(3) 0.0575(14) Uani 1 1 d . . .
H24 H 0.4120 0.3103 0.3863 0.069 Uiso 1 1 calc R . .
C26 C 0.3675(3) 0.6654(7) 0.3666(3) 0.0592(14) Uani 1 1 d . . .
H26 H 0.3837 0.7656 0.3752 0.071 Uiso 1 1 calc R . .
C28 C 0.2601(3) 0.7825(7) 0.3171(4) 0.0790(19) Uani 1 1 d . . .
H28A H 0.2432 0.7951 0.2672 0.119 Uiso 1 1 calc R . .
H28B H 0.2831 0.8741 0.3391 0.119 Uiso 1 1 calc R . .
H28C H 0.2262 0.7665 0.3319 0.119 Uiso 1 1 calc R . .
N4 N 0.2888(2) 0.4738(6) 0.1684(2) 0.0474(10) Uani 1 1 d . . .
C33 C 0.4092(2) 0.5016(9) 0.2136(3) 0.0663(16) Uani 1 1 d . . .
H33A H 0.4226 0.4671 0.1779 0.100 Uiso 1 1 calc R . .
H33B H 0.4286 0.4388 0.2546 0.100 Uiso 1 1 calc R . .
H33C H 0.4212 0.6081 0.2248 0.100 Uiso 1 1 calc R . .
C32 C 0.3417(3) 0.4881(7) 0.1885(3) 0.0506(12) Uani 1 1 d . . .
P1 P 0.06911(8) 0.8999(2) 0.21606(9) 0.0641(4) Uani 1 1 d . . .
F2 F 0.1040(3) 0.7725(6) 0.1922(3) 0.1238(18) Uani 1 1 d . . .
F4 F 0.0359(3) 1.0271(9) 0.2428(4) 0.161(3) Uani 1 1 d . . .
F1 F 0.0407(6) 0.9616(9) 0.1420(4) 0.211(5) Uani 1 1 d . . .
F3 F 0.1250(3) 1.0126(8) 0.2348(4) 0.156(3) Uani 1 1 d . . .
C34 C 0.3435(4) 0.6546(9) 0.0188(4) 0.087(2) Uani 1 1 d . . .
H34 H 0.3551 0.7583 0.0204 0.105 Uiso 1 1 calc R . .
C36 C 0.4575(5) 0.5921(13) 0.0564(6) 0.125(4) Uani 1 1 d . . .
H36A H 0.4628 0.6450 0.0185 0.188 Uiso 1 1 calc R . .
H36B H 0.4839 0.5016 0.0688 0.188 Uiso 1 1 calc R . .
H36C H 0.4691 0.6601 0.0960 0.188 Uiso 1 1 calc R . .
C35 C 0.2303(5) 0.7447(9) -0.0144(6) 0.117(3) Uani 1 1 d . . .
H35A H 0.1950 0.7192 -0.0568 0.175 Uiso 1 1 calc R . .
H35B H 0.2474 0.8431 -0.0198 0.175 Uiso 1 1 calc R . .
H35C H 0.2170 0.7506 0.0236 0.175 Uiso 1 1 calc R . .
F6 F 0.0993(3) 0.8332(7) 0.2921(3) 0.152(2) Uani 1 1 d . . .
F5 F 0.0148(3) 0.7797(9) 0.2019(4) 0.169(3) Uani 1 1 d . . .
P2 P 0.39893(8) -0.0038(3) 0.21675(11) 0.0756(5) Uani 1 1 d . . .
F8 F 0.3453(2) 0.1216(7) 0.1913(3) 0.1227(18) Uani 1 1 d . . .
F10 F 0.4515(3) -0.1257(8) 0.2441(5) 0.202(4) Uani 1 1 d . . .
F11 F 0.3564(4) -0.1178(12) 0.2279(7) 0.247(6) Uani 1 1 d . . .
F7 F 0.3752(7) -0.0736(11) 0.1469(5) 0.283(8) Uani 1 1 d . . .
F9 F 0.4407(5) 0.1059(9) 0.2055(10) 0.314(9) Uani 1 1 d . . .
F12 F 0.4178(7) 0.0677(17) 0.2847(5) 0.344(11) Uani 1 1 d . . .
C37 C 0.2920(3) 0.1784(7) 0.0097(4) 0.0746(18) Uani 1 1 d . . .
H37A H 0.3202 0.1178 -0.0037 0.112 Uiso 1 1 calc R . .
H37B H 0.2497 0.1633 -0.0238 0.112 Uiso 1 1 calc R . .
H37C H 0.2953 0.1463 0.0551 0.112 Uiso 1 1 calc R . .
C100 C 0.1614(4) 0.9906(11) 0.0624(6) 0.096(3) Uani 1 1 d . . .
N100 N 0.1284(4) 1.0098(11) 0.0071(6) 0.143(4) Uani 1 1 d . . .
C101 C 0.2034(4) 0.9621(16) 0.1335(5) 0.118(4) Uani 1 1 d . . .
H10A H 0.1907 1.0233 0.1642 0.178 Uiso 1 1 calc R . .
H10B H 0.2454 0.9900 0.1399 0.178 Uiso 1 1 calc R . .
H10C H 0.2021 0.8540 0.1441 0.178 Uiso 1 1 calc R . .


_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 1.964(4) . ?
Pt1 N4 1.979(4) . ?
Pt1 C11 2.013(5) . ?
Pt1 C12 2.026(5) . ?
N3 C12 1.322(7) . ?
N3 C15 1.382(8) . ?
N3 C17 1.454(8) . ?
C11 N6 1.337(7) . ?
C11 N5 1.367(6) . ?
N1 C2 1.339(7) . ?
N1 C6 1.347(7) . ?
N5 C8 1.375(7) . ?
N5 C6 1.409(7) . ?
N6 C9 1.409(7) . ?
N6 C22 1.443(6) . ?
C6 C5 1.376(7) . ?
C12 N2 1.383(7) . ?
C8 C9 1.337(9) . ?
C8 H8 0.9300 . ?
C17 C18 1.378(9) . ?
C17 C19 1.379(8) . ?
C18 C34 1.386(11) . ?
C18 C35 1.524(10) . ?
C9 H9 0.9300 . ?
N2 C14 1.385(7) . ?
N2 C2 1.405(7) . ?
C2 C3 1.373(7) . ?
C3 C4 1.381(9) . ?
C3 H3 0.9300 . ?
C19 C20 1.386(9) . ?
C19 C37 1.504(9) . ?
C5 C4 1.381(9) . ?
C5 H5 0.9300 . ?
C4 H4 0.9300 . ?
C15 C14 1.310(9) . ?
C15 H15 0.9300 . ?
C21 C20 1.368(10) . ?
C21 C34 1.368(11) . ?
C21 C36 1.516(11) . ?
C14 H14 0.9300 . ?
C20 H20 0.9300 . ?
C25 C24 1.373(9) . ?
C25 C26 1.378(9) . ?
C25 C30 1.533(9) . ?
C27 C26 1.380(7) . ?
C27 C22 1.390(8) . ?
C27 C28 1.491(8) . ?
C22 C23 1.397(8) . ?
C29 C23 1.505(8) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C23 C24 1.387(8) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C24 H24 0.9300 . ?
C26 H26 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
N4 C32 1.135(6) . ?
C33 C32 1.441(7) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
P1 F1 1.512(7) . ?
P1 F3 1.539(5) . ?
P1 F2 1.557(5) . ?
P1 F4 1.563(5) . ?
P1 F6 1.565(5) . ?
P1 F5 1.565(6) . ?
C34 H34 0.9300 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
P2 F9 1.438(7) . ?
P2 F12 1.443(8) . ?
P2 F7 1.465(9) . ?
P2 F11 1.473(7) . ?
P2 F10 1.536(6) . ?
P2 F8 1.572(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C100 N100 1.113(12) . ?
C100 C101 1.433(13) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?

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 N4 177.34(17) . . ?
N1 Pt1 C11 79.22(19) . . ?
N4 Pt1 C11 101.14(19) . . ?
N1 Pt1 C12 79.8(2) . . ?
N4 Pt1 C12 99.9(2) . . ?
C11 Pt1 C12 159.0(2) . . ?
C12 N3 C15 109.9(5) . . ?
C12 N3 C17 122.9(5) . . ?
C15 N3 C17 127.2(5) . . ?
N6 C11 N5 105.0(4) . . ?
N6 C11 Pt1 142.5(4) . . ?
N5 C11 Pt1 112.4(4) . . ?
C2 N1 C6 121.7(4) . . ?
C2 N1 Pt1 118.9(4) . . ?
C6 N1 Pt1 119.2(4) . . ?
C11 N5 C8 111.5(5) . . ?
C11 N5 C6 118.3(4) . . ?
C8 N5 C6 130.1(5) . . ?
C11 N6 C9 109.7(4) . . ?
C11 N6 C22 123.6(4) . . ?
C9 N6 C22 126.6(4) . . ?
N1 C6 C5 121.0(5) . . ?
N1 C6 N5 110.7(4) . . ?
C5 C6 N5 128.3(5) . . ?
N3 C12 N2 105.4(5) . . ?
N3 C12 Pt1 143.6(4) . . ?
N2 C12 Pt1 110.9(4) . . ?
C9 C8 N5 106.0(5) . . ?
C9 C8 H8 127.0 . . ?
N5 C8 H8 127.0 . . ?
C18 C17 C19 123.0(6) . . ?
C18 C17 N3 118.2(6) . . ?
C19 C17 N3 118.8(5) . . ?
C17 C18 C34 116.6(7) . . ?
C17 C18 C35 120.9(7) . . ?
C34 C18 C35 122.5(7) . . ?
C8 C9 N6 107.7(5) . . ?
C8 C9 H9 126.1 . . ?
N6 C9 H9 126.1 . . ?
C12 N2 C14 109.2(5) . . ?
C12 N2 C2 118.8(4) . . ?
C14 N2 C2 132.0(5) . . ?
N1 C2 C3 120.6(5) . . ?
N1 C2 N2 111.2(4) . . ?
C3 C2 N2 128.2(5) . . ?
C2 C3 C4 117.3(6) . . ?
C2 C3 H3 121.4 . . ?
C4 C3 H3 121.4 . . ?
C17 C19 C20 116.9(6) . . ?
C17 C19 C37 122.6(6) . . ?
C20 C19 C37 120.5(6) . . ?
C6 C5 C4 116.6(6) . . ?
C6 C5 H5 121.7 . . ?
C4 C5 H5 121.7 . . ?
C3 C4 C5 122.8(6) . . ?
C3 C4 H4 118.6 . . ?
C5 C4 H4 118.6 . . ?
C14 C15 N3 108.9(6) . . ?
C14 C15 H15 125.6 . . ?
N3 C15 H15 125.6 . . ?
C20 C21 C34 117.4(7) . . ?
C20 C21 C36 122.7(8) . . ?
C34 C21 C36 119.9(8) . . ?
C15 C14 N2 106.6(5) . . ?
C15 C14 H14 126.7 . . ?
N2 C14 H14 126.7 . . ?
C21 C20 C19 122.9(7) . . ?
C21 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C24 C25 C26 118.5(5) . . ?
C24 C25 C30 121.4(6) . . ?
C26 C25 C30 120.0(6) . . ?
C26 C27 C22 117.1(5) . . ?
C26 C27 C28 120.7(5) . . ?
C22 C27 C28 122.1(5) . . ?
C27 C22 C23 122.8(5) . . ?
C27 C22 N6 119.3(5) . . ?
C23 C22 N6 117.8(5) . . ?
C23 C29 H29A 109.5 . . ?
C23 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C23 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C24 C23 C22 116.7(5) . . ?
C24 C23 C29 121.0(5) . . ?
C22 C23 C29 122.3(5) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 C24 C23 122.5(6) . . ?
C25 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
C25 C26 C27 122.4(6) . . ?
C25 C26 H26 118.8 . . ?
C27 C26 H26 118.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C32 N4 Pt1 176.0(5) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N4 C32 C33 178.4(7) . . ?
F1 P1 F3 91.0(6) . . ?
F1 P1 F2 89.6(4) . . ?
F3 P1 F2 91.9(3) . . ?
F1 P1 F4 92.3(5) . . ?
F3 P1 F4 87.1(4) . . ?
F2 P1 F4 177.9(4) . . ?
F1 P1 F6 178.7(5) . . ?
F3 P1 F6 89.0(4) . . ?
F2 P1 F6 89.1(3) . . ?
F4 P1 F6 88.9(4) . . ?
F1 P1 F5 92.8(5) . . ?
F3 P1 F5 176.1(5) . . ?
F2 P1 F5 87.4(4) . . ?
F4 P1 F5 93.4(4) . . ?
F6 P1 F5 87.1(4) . . ?
C21 C34 C18 123.2(7) . . ?
C21 C34 H34 118.4 . . ?
C18 C34 H34 118.4 . . ?
C21 C36 H36A 109.5 . . ?
C21 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C21 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C18 C35 H35A 109.5 . . ?
C18 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C18 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
F9 P2 F12 85.4(10) . . ?
F9 P2 F7 96.8(10) . . ?
F12 P2 F7 175.9(8) . . ?
F9 P2 F11 179.3(7) . . ?
F12 P2 F11 95.1(10) . . ?
F7 P2 F11 82.8(8) . . ?
F9 P2 F10 91.3(5) . . ?
F12 P2 F10 92.5(5) . . ?
F7 P2 F10 91.0(5) . . ?
F11 P2 F10 88.1(4) . . ?
F9 P2 F8 89.3(5) . . ?
F12 P2 F8 85.8(5) . . ?
F7 P2 F8 90.8(5) . . ?
F11 P2 F8 91.3(4) . . ?
F10 P2 F8 178.1(5) . . ?
C19 C37 H37A 109.5 . . ?
C19 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C19 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N100 C100 C101 178.7(13) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.885
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.118

#END
#######################################################################
_chemical_properties_physical    'Moisture-sensitive, Hygroscopic'
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 
'Slow diffusion of diethyl ether into acetonitrile solutions of 2.'
####################################################################### 
# 
# 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_added_by_encifer
_database_code_depnum_ccdc_archive 'CCDC 1438427'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-23 downloaded from the CCDC.
;
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
#
#######################################################################
#
# If this CIF has been generated directly or indirectly from an entry in the 
# Cambridge Structural Database, then it will include bibliographic, chemical, 
# crystal, experimental, refinement or atomic coordinate data resulting from 
# the CCDC's data processing and validation procedures. Files generated from 
# CSD entries are Copyright 2015 Cambridge Crystallographic Data Centre. They 
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_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H35 Cl F6 N5 O P Pt'
_chemical_formula_weight         881.16

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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)/c

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

_cell_length_a                   10.3785(8)
_cell_length_b                   20.6873(17)
_cell_length_c                   15.9606(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.8570(10)
_cell_angle_gamma                90.00
_cell_volume                     3365.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9887
_cell_measurement_theta_min      2.5
_cell_measurement_theta_max      25

_exptl_crystal_description       Lump
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1736
_exptl_absorpt_coefficient_mu    4.364
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.6095
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            39677
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         28.52
_reflns_number_total             8511
_reflns_number_gt                7401
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Smart'
_computing_cell_refinement       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_structure_solution    'Shelxtl-97 (Sheldrick, 2008)'
_computing_structure_refinement  'Shelxtl-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)+(0.0346P)²+3.8125P] 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         8511
_refine_ls_number_parameters     432
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_ref         0.0689
_refine_ls_wR_factor_gt          0.0653
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.005
_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 0.317691(11) 0.340802(5) 0.307070(7) 0.01593(4) Uani 1 1 d . . .
P1 P 0.98401(8) 0.68978(4) 0.25967(5) 0.02134(17) Uani 1 1 d . . .
F1 F 1.0419(2) 0.64559(10) 0.34044(13) 0.0330(5) Uani 1 1 d . . .
F2 F 0.9503(2) 0.62582(10) 0.20263(13) 0.0321(5) Uani 1 1 d . . .
F3 F 0.84152(19) 0.68648(11) 0.28464(14) 0.0319(5) Uani 1 1 d . . .
F4 F 0.9265(2) 0.73329(10) 0.17821(13) 0.0355(5) Uani 1 1 d . . .
F5 F 1.0162(2) 0.75347(10) 0.31675(13) 0.0337(5) Uani 1 1 d . . .
F6 F 1.1274(2) 0.69224(11) 0.23551(14) 0.0362(5) Uani 1 1 d . . .
N1 N 0.2407(2) 0.33629(12) 0.18436(16) 0.0165(5) Uani 1 1 d . . .
N2 N 0.3926(2) 0.25769(13) 0.18380(16) 0.0204(5) Uani 1 1 d . . .
N3 N 0.5180(3) 0.22529(13) 0.29961(16) 0.0220(6) Uani 1 1 d . . .
N4 N 0.1082(2) 0.41551(13) 0.21620(16) 0.0203(5) Uani 1 1 d . . .
N5 N 0.1359(3) 0.45843(12) 0.34105(16) 0.0201(5) Uani 1 1 d . . .
O1 O 0.8263(3) 0.48012(16) 1.01806(19) 0.0560(9) Uani 1 1 d . . .
Cl1 Cl 0.40505(7) 0.34478(4) 0.44960(4) 0.02006(15) Uani 1 1 d . . .
C1 C 0.1382(3) 0.37403(15) 0.15272(19) 0.0191(6) Uani 1 1 d . . .
C2 C 0.0763(3) 0.36864(19) 0.0689(2) 0.0296(8) Uani 1 1 d . . .
H2 H 0.0010 0.3939 0.0469 0.036 Uiso 1 1 calc R . .
C3 C 0.1269(3) 0.32536(17) 0.0176(2) 0.0265(7) Uani 1 1 d . . .
H3 H 0.0883 0.3227 -0.0412 0.032 Uiso 1 1 calc R . .
C4 C 0.2331(3) 0.28550(17) 0.0498(2) 0.0242(7) Uani 1 1 d . . .
H4 H 0.2666 0.2551 0.0148 0.029 Uiso 1 1 calc R . .
C5 C 0.2875(3) 0.29243(15) 0.13563(19) 0.0192(6) Uani 1 1 d . . .
C6 C 0.4232(3) 0.26886(15) 0.27063(18) 0.0191(6) Uani 1 1 d . . .
C7 C 0.4680(3) 0.20805(17) 0.1599(2) 0.0276(7) Uani 1 1 d . . .
H7 H 0.4648 0.1916 0.1040 0.033 Uiso 1 1 calc R . .
C8 C 0.5469(3) 0.18777(18) 0.2322(2) 0.0295(8) Uani 1 1 d . . .
H8 H 0.6104 0.1543 0.2366 0.035 Uiso 1 1 calc R . .
C9 C 0.5671(3) 0.21149(16) 0.38892(19) 0.0215(6) Uani 1 1 d . . .
C10 C 0.4990(3) 0.16573(16) 0.4277(2) 0.0237(7) Uani 1 1 d . . .
C11 C 0.5480(3) 0.15124(16) 0.5127(2) 0.0265(7) Uani 1 1 d . . .
H11 H 0.5037 0.1201 0.5406 0.032 Uiso 1 1 calc R . .
C12 C 0.6601(3) 0.18090(17) 0.5585(2) 0.0263(7) Uani 1 1 d . . .
C13 C 0.7219(3) 0.22766(16) 0.5178(2) 0.0243(7) Uani 1 1 d . . .
H13 H 0.7969 0.2490 0.5489 0.029 Uiso 1 1 calc R . .
C14 C 0.6767(3) 0.24421(15) 0.4325(2) 0.0217(6) Uani 1 1 d . . .
C15 C 0.3738(3) 0.1351(2) 0.3803(2) 0.0350(8) Uani 1 1 d . . .
H15A H 0.3453 0.1013 0.4159 0.053 Uiso 1 1 calc R . .
H15B H 0.3898 0.1159 0.3271 0.053 Uiso 1 1 calc R . .
H15C H 0.3053 0.1681 0.3674 0.053 Uiso 1 1 calc R . .
C16 C 0.7103(4) 0.16216(19) 0.6505(2) 0.0341(9) Uani 1 1 d . . .
H16A H 0.7653 0.1235 0.6526 0.051 Uiso 1 1 calc R . .
H16B H 0.6358 0.1531 0.6784 0.051 Uiso 1 1 calc R . .
H16C H 0.7622 0.1978 0.6802 0.051 Uiso 1 1 calc R . .
C17 C 0.7434(4) 0.29621(18) 0.3904(2) 0.0331(8) Uani 1 1 d . . .
H17A H 0.8119 0.3166 0.4328 0.050 Uiso 1 1 calc R . .
H17B H 0.6787 0.3288 0.3658 0.050 Uiso 1 1 calc R . .
H17C H 0.7830 0.2771 0.3451 0.050 Uiso 1 1 calc R . .
C18 C 0.1834(3) 0.41129(15) 0.29761(18) 0.0184(6) Uani 1 1 d . . .
C19 C 0.0159(3) 0.46530(16) 0.2110(2) 0.0241(7) Uani 1 1 d . . .
H19 H -0.0465 0.4777 0.1622 0.029 Uiso 1 1 calc R . .
C20 C 0.0334(3) 0.49188(16) 0.2890(2) 0.0245(7) Uani 1 1 d . . .
H20 H -0.0149 0.5270 0.3058 0.029 Uiso 1 1 calc R . .
C21 C 0.1875(3) 0.47226(15) 0.43042(19) 0.0192(6) Uani 1 1 d . . .
C22 C 0.2835(3) 0.51942(15) 0.4505(2) 0.0217(6) Uani 1 1 d . . .
C23 C 0.3345(3) 0.52976(16) 0.5367(2) 0.0244(7) Uani 1 1 d . . .
H23 H 0.4001 0.5618 0.5524 0.029 Uiso 1 1 calc R . .
C24 C 0.2918(3) 0.49430(17) 0.6002(2) 0.0248(7) Uani 1 1 d . . .
C25 C 0.1966(3) 0.44699(16) 0.5768(2) 0.0241(7) Uani 1 1 d . . .
H25 H 0.1683 0.4221 0.6200 0.029 Uiso 1 1 calc R . .
C26 C 0.1413(3) 0.43505(15) 0.4914(2) 0.0219(6) Uani 1 1 d . . .
C27 C 0.3335(3) 0.55737(17) 0.3823(2) 0.0278(7) Uani 1 1 d . . .
H27A H 0.3552 0.5276 0.3392 0.042 Uiso 1 1 calc R . .
H27B H 0.4122 0.5815 0.4082 0.042 Uiso 1 1 calc R . .
H27C H 0.2656 0.5876 0.3552 0.042 Uiso 1 1 calc R . .
C28 C 0.3492(4) 0.5066(2) 0.6933(2) 0.0374(9) Uani 1 1 d . . .
H28A H 0.2810 0.5241 0.7219 0.056 Uiso 1 1 calc R . .
H28B H 0.4212 0.5378 0.6976 0.056 Uiso 1 1 calc R . .
H28C H 0.3825 0.4660 0.7207 0.056 Uiso 1 1 calc R . .
C29 C 0.0386(4) 0.38379(18) 0.4666(2) 0.0314(8) Uani 1 1 d . . .
H29A H -0.0417 0.4036 0.4347 0.047 Uiso 1 1 calc R . .
H29B H 0.0196 0.3630 0.5181 0.047 Uiso 1 1 calc R . .
H29C H 0.0708 0.3514 0.4307 0.047 Uiso 1 1 calc R . .
C30 C 0.6369(5) 0.5023(2) 0.9129(3) 0.0577(13) Uani 1 1 d . . .
H30A H 0.6046 0.5227 0.9604 0.087 Uiso 1 1 calc R . .
H30B H 0.5728 0.4704 0.8855 0.087 Uiso 1 1 calc R . .
H30C H 0.6497 0.5353 0.8713 0.087 Uiso 1 1 calc R . .
C31 C 0.7657(4) 0.46907(19) 0.9463(3) 0.0372(9) Uani 1 1 d . . .
C32 C 0.8119(4) 0.4208(2) 0.8887(3) 0.0390(9) Uani 1 1 d . . .
H32A H 0.9079 0.4192 0.9010 0.059 Uiso 1 1 calc R . .
H32B H 0.7814 0.4336 0.8292 0.059 Uiso 1 1 calc R . .
H32C H 0.7765 0.3781 0.8983 0.059 Uiso 1 1 calc R . .


_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 1.973(2) . ?
Pt1 C6 1.998(3) . ?
Pt1 C18 2.003(3) . ?
Pt1 Cl1 2.2863(7) . ?
P1 F5 1.601(2) . ?
P1 F4 1.601(2) . ?
P1 F1 1.602(2) . ?
P1 F3 1.604(2) . ?
P1 F6 1.607(2) . ?
P1 F2 1.607(2) . ?
N1 C1 1.339(4) . ?
N1 C5 1.344(4) . ?
N2 C6 1.382(4) . ?
N2 C7 1.388(4) . ?
N2 C5 1.407(4) . ?
N3 C6 1.351(4) . ?
N3 C8 1.405(4) . ?
N3 C9 1.449(4) . ?
N4 C18 1.387(4) . ?
N4 C19 1.399(4) . ?
N4 C1 1.407(4) . ?
N5 C18 1.343(4) . ?
N5 C20 1.403(4) . ?
N5 C21 1.455(4) . ?
O1 C31 1.221(5) . ?
C1 C2 1.376(4) . ?
C2 C3 1.382(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4 0.9500 . ?
C7 C8 1.349(5) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.392(4) . ?
C9 C10 1.395(5) . ?
C10 C11 1.388(5) . ?
C10 C15 1.514(5) . ?
C11 C12 1.394(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(5) . ?
C12 C16 1.514(5) . ?
C13 C14 1.396(4) . ?
C13 H13 0.9500 . ?
C14 C17 1.504(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 C20 1.341(5) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.388(4) . ?
C21 C26 1.395(4) . ?
C22 C23 1.395(4) . ?
C22 C27 1.511(4) . ?
C23 C24 1.390(5) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(5) . ?
C24 C28 1.514(5) . ?
C25 C26 1.397(4) . ?
C25 H25 0.9500 . ?
C26 C29 1.503(4) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.507(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.494(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?

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 C6 79.49(11) . . ?
N1 Pt1 C18 79.25(11) . . ?
C6 Pt1 C18 158.75(12) . . ?
N1 Pt1 Cl1 179.16(8) . . ?
C6 Pt1 Cl1 100.37(8) . . ?
C18 Pt1 Cl1 100.88(8) . . ?
F5 P1 F4 90.31(12) . . ?
F5 P1 F1 90.30(12) . . ?
F4 P1 F1 179.34(13) . . ?
F5 P1 F3 89.83(12) . . ?
F4 P1 F3 90.30(12) . . ?
F1 P1 F3 89.96(12) . . ?
F5 P1 F6 90.40(12) . . ?
F4 P1 F6 90.46(12) . . ?
F1 P1 F6 89.28(12) . . ?
F3 P1 F6 179.21(14) . . ?
F5 P1 F2 179.45(13) . . ?
F4 P1 F2 89.70(12) . . ?
F1 P1 F2 89.69(12) . . ?
F3 P1 F2 89.62(12) . . ?
F6 P1 F2 90.14(12) . . ?
C1 N1 C5 121.5(3) . . ?
C1 N1 Pt1 119.4(2) . . ?
C5 N1 Pt1 118.9(2) . . ?
C6 N2 C7 111.3(3) . . ?
C6 N2 C5 118.1(3) . . ?
C7 N2 C5 130.3(3) . . ?
C6 N3 C8 110.7(3) . . ?
C6 N3 C9 124.5(3) . . ?
C8 N3 C9 124.0(3) . . ?
C18 N4 C19 111.1(3) . . ?
C18 N4 C1 118.3(2) . . ?
C19 N4 C1 130.4(3) . . ?
C18 N5 C20 111.3(3) . . ?
C18 N5 C21 123.1(3) . . ?
C20 N5 C21 125.6(3) . . ?
N1 C1 C2 120.8(3) . . ?
N1 C1 N4 110.6(3) . . ?
C2 C1 N4 128.6(3) . . ?
C1 C2 C3 118.0(3) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 H2 121.0 . . ?
C2 C3 C4 121.7(3) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 H3 119.1 . . ?
C5 C4 C3 116.7(3) . . ?
C5 C4 H4 121.6 . . ?
C3 C4 H4 121.6 . . ?
N1 C5 C4 121.1(3) . . ?
N1 C5 N2 110.9(3) . . ?
C4 C5 N2 128.0(3) . . ?
N3 C6 N2 104.3(3) . . ?
N3 C6 Pt1 143.3(2) . . ?
N2 C6 Pt1 112.4(2) . . ?
C8 C7 N2 106.2(3) . . ?
C8 C7 H7 126.9 . . ?
N2 C7 H7 126.9 . . ?
C7 C8 N3 107.5(3) . . ?
C7 C8 H8 126.3 . . ?
N3 C8 H8 126.3 . . ?
C14 C9 C10 122.9(3) . . ?
C14 C9 N3 119.9(3) . . ?
C10 C9 N3 117.2(3) . . ?
C11 C10 C9 117.2(3) . . ?
C11 C10 C15 121.3(3) . . ?
C9 C10 C15 121.4(3) . . ?
C10 C11 C12 122.2(3) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C13 C12 C11 118.3(3) . . ?
C13 C12 C16 121.9(3) . . ?
C11 C12 C16 119.8(3) . . ?
C12 C13 C14 121.8(3) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C9 C14 C13 117.4(3) . . ?
C9 C14 C17 121.7(3) . . ?
C13 C14 C17 120.9(3) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N5 C18 N4 104.0(3) . . ?
N5 C18 Pt1 143.9(2) . . ?
N4 C18 Pt1 112.2(2) . . ?
C20 C19 N4 106.0(3) . . ?
C20 C19 H19 127.0 . . ?
N4 C19 H19 127.0 . . ?
C19 C20 N5 107.6(3) . . ?
C19 C20 H20 126.2 . . ?
N5 C20 H20 126.2 . . ?
C22 C21 C26 123.6(3) . . ?
C22 C21 N5 118.7(3) . . ?
C26 C21 N5 117.7(3) . . ?
C21 C22 C23 117.2(3) . . ?
C21 C22 C27 121.9(3) . . ?
C23 C22 C27 120.9(3) . . ?
C24 C23 C22 121.7(3) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C23 C24 C25 118.9(3) . . ?
C23 C24 C28 120.4(3) . . ?
C25 C24 C28 120.7(3) . . ?
C24 C25 C26 121.8(3) . . ?
C24 C25 H25 119.1 . . ?
C26 C25 H25 119.1 . . ?
C21 C26 C25 116.8(3) . . ?
C21 C26 C29 121.7(3) . . ?
C25 C26 C29 121.5(3) . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O1 C31 C32 122.2(4) . . ?
O1 C31 C30 120.8(4) . . ?
C32 C31 C30 116.9(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.52
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.752
_refine_diff_density_min         -1.429
_refine_diff_density_rms         0.120



#END
#######################################################################
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 
'Slow diffusion of diethyl ether into acetonitrile solutions of 1PF6 '
