# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_i17402
_database_code_depnum_ccdc_archive 'CCDC 2009563'
loop_
_audit_author_name
_audit_author_address
'Wen Yuh Sheng'
;X ray Lab, Institute of Chemistry, Academia Sinica
Taiwan
;
_audit_update_record             
;
2020-06-13 deposited with the CCDC.	2021-04-07 downloaded from the CCDC.
;


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C23 H19 F3 N4 O2 Pt'
_chemical_formula_sum            'C23 H19 F3 N4 O2 Pt'
_chemical_formula_weight         635.51

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0617(16)
_cell_length_b                   13.1230(18)
_cell_length_c                   14.549(2)
_cell_angle_alpha                69.047(4)
_cell_angle_beta                 78.618(4)
_cell_angle_gamma                74.686(4)
_cell_volume                     2060.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.0(2)
_cell_measurement_reflns_used    9902
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      25.14

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       niddle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.327
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    2.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1224
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 -1 0.067
0 -1 -1 0.016
-1 -1 -1 0.039
1 1 1 0.156
1 -1 0 0.087
0 1 0 0.03
0 -1 0 0.024
1 1 0 0.133
1 -1 1 0.085
0 1 -1 0.03
0 0 -1 0.019
0 0 1 0.037
-1 0 0 0.092
1 0 0 0.143


#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    6.867
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Bruker SADABS, 1996'
_exptl_absorpt_correction_T_min  0.7904
_exptl_absorpt_correction_T_max  1
_shelx_estimated_absorpt_T_min   0.212
_shelx_estimated_absorpt_T_max   0.683

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0901
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_number            79065
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.7
_diffrn_reflns_theta_max         27.097
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.999
_reflns_Friedel_coverage         0
_reflns_number_total             9091
_reflns_number_gt                7013
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_cell_refinement       'APEX3 v2015.9-0 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.35A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 740)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2014)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0084P)²+8.9293P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         9091
_refine_ls_number_parameters     599
_refine_ls_number_restraints     207
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.0627
_refine_ls_wR_factor_gt          0.0551
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.825
_refine_diff_density_min         -1.343
_refine_diff_density_rms         0.176

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.33651(2) 0.13644(2) 0.66664(2) 0.01273(6) Uani 1 1 d . U . . .
Pt2 Pt 0.85326(2) 0.96736(2) 0.74996(2) 0.01464(6) Uani 1 1 d . U . . .
F1 F 0.5576(3) 0.3395(3) 0.8952(3) 0.0370(9) Uani 1 1 d . U . . .
F2 F 0.7073(3) 0.3072(3) 0.7945(3) 0.0366(9) Uani 1 1 d . U . . .
F3 F 0.5483(3) 0.4082(3) 0.7395(3) 0.0359(9) Uani 1 1 d . U . . .
O1 O 0.3125(3) -0.2995(3) 0.7737(3) 0.0207(9) Uani 1 1 d . U . . .
O2 O 0.6412(3) 1.3600(3) 0.5019(3) 0.0222(9) Uani 1 1 d . U . . .
O3 O 0.9519(3) 0.8401(3) 0.8522(3) 0.0187(8) Uani 1 1 d . U . . .
O4 O 0.3197(3) 0.3081(3) 0.5991(3) 0.0186(8) Uani 1 1 d . U . . .
N1 N 0.4526(4) 0.1295(4) 0.7505(3) 0.0134(9) Uani 1 1 d . U . . .
N2 N 0.2088(4) 0.1664(4) 0.5819(3) 0.0158(9) Uani 1 1 d . U . . .
N3 N 0.0738(4) 0.4295(4) 0.4020(4) 0.0290(12) Uani 1 1 d . U . . .
N4 N -0.0472(4) 0.2704(4) 0.3878(3) 0.0180(10) Uani 1 1 d . U . . .
N5 N 0.7762(4) 0.8591(4) 0.7333(3) 0.0167(10) Uani 1 1 d . U . . .
N6 N 0.9465(4) 1.0583(4) 0.7800(3) 0.0164(9) Uani 1 1 d . U . . .
N7 N 1.1692(4) 0.9657(4) 0.9530(3) 0.0189(10) Uani 1 1 d . U . . .
N8 N 1.1563(4) 1.2079(4) 0.8709(3) 0.0204(10) Uani 1 1 d . U . . .
C1 C 0.4922(4) 0.0285(4) 0.8175(4) 0.0144(11) Uani 1 1 d . U . . .
C2 C 0.5689(4) 0.0188(5) 0.8819(4) 0.0171(12) Uani 1 1 d . U . . .
H2 H 0.597997 -0.05212 0.927127 0.021 Uiso 1 1 calc R U . . .
C3 C 0.6020(4) 0.1116(5) 0.8800(4) 0.0169(11) Uani 1 1 d . U . . .
H3 H 0.653957 0.105973 0.923721 0.02 Uiso 1 1 calc R U . . .
C4 C 0.5585(4) 0.2140(4) 0.8130(4) 0.0154(11) Uani 1 1 d . U . . .
C5 C 0.4852(4) 0.2204(5) 0.7490(4) 0.0165(11) Uani 1 1 d . U . . .
H5 H 0.456868 0.290715 0.702676 0.02 Uiso 1 1 calc R U . . .
C6 C 0.5925(5) 0.3168(5) 0.8099(4) 0.0191(12) Uani 1 1 d . U . . .
C7 C 0.4468(4) -0.0613(4) 0.8120(4) 0.0152(11) Uani 1 1 d . U . . .
C8 C 0.3692(4) -0.0282(4) 0.7379(4) 0.0149(11) Uani 1 1 d . U . . .
C9 C 0.3307(4) -0.1134(4) 0.7284(4) 0.0160(11) Uani 1 1 d . U . . .
H9 H 0.283152 -0.096264 0.677787 0.019 Uiso 1 1 calc R U . . .
C10 C 0.3586(4) -0.2246(5) 0.7902(4) 0.0168(11) Uani 1 1 d . U . . .
C11 C 0.4309(4) -0.2539(5) 0.8648(4) 0.0167(11) Uani 1 1 d . U . . .
H11 H 0.449417 -0.328478 0.908025 0.02 Uiso 1 1 calc R U . . .
C12 C 0.4740(4) -0.1699(4) 0.8727(4) 0.0164(11) Uani 1 1 d . U . . .
H12 H 0.523984 -0.18791 0.921744 0.02 Uiso 1 1 calc R U . . .
C13 C 0.3233(5) -0.4083(5) 0.8454(5) 0.0286(15) Uani 1 1 d . U . . .
H13A H 0.28232 -0.452486 0.827467 0.043 Uiso 1 1 calc R U . . .
H13B H 0.289693 -0.402125 0.910798 0.043 Uiso 1 1 calc R U . . .
H13C H 0.405297 -0.444959 0.847363 0.043 Uiso 1 1 calc R U . . .
C14 C 0.1462(4) 0.1001(4) 0.5773(4) 0.0154(11) Uani 1 1 d . U . . .
H14 H 0.160599 0.024647 0.619205 0.018 Uiso 1 1 calc R U . . .
C15 C 0.0607(4) 0.1338(4) 0.5151(4) 0.0160(11) Uani 1 1 d . U . . .
H15 H 0.020421 0.08038 0.515593 0.019 Uiso 1 1 calc R U . . .
C16 C 0.0311(4) 0.2437(5) 0.4515(4) 0.0168(11) Uani 1 1 d . U . . .
C17 C 0.0947(4) 0.3206(4) 0.4583(4) 0.0164(11) Uani 1 1 d . U . . .
C18 C 0.1348(6) 0.4938(5) 0.4121(5) 0.0348(16) Uani 1 1 d . U . . .
H18 H 0.120759 0.569875 0.371473 0.042 Uiso 1 1 calc R U . . .
C19 C 0.2181(5) 0.4600(5) 0.4771(5) 0.0262(14) Uani 1 1 d . U . . .
H19 H 0.256763 0.512069 0.481689 0.031 Uiso 1 1 calc R U . . .
C20 C 0.2429(5) 0.3499(5) 0.5342(4) 0.0189(12) Uani 1 1 d . U . . .
C21 C 0.1800(4) 0.2771(4) 0.5247(4) 0.0159(11) Uani 1 1 d . U . . .
C22 C -0.0991(6) 0.3830(5) 0.3277(5) 0.0358(17) Uani 1 1 d . U . . .
H22A H -0.063484 0.397035 0.258926 0.054 Uiso 1 1 calc R U . . .
H22B H -0.08605 0.437793 0.35364 0.054 Uiso 1 1 calc R U . . .
H22C H -0.182409 0.38961 0.330403 0.054 Uiso 1 1 calc R U . . .
C23 C -0.0926(5) 0.1825(5) 0.3786(4) 0.0208(12) Uani 1 1 d . U . . .
H23A H -0.139185 0.213461 0.322957 0.031 Uiso 1 1 calc R U . . .
H23B H -0.140947 0.151573 0.439896 0.031 Uiso 1 1 calc R U . . .
H23C H -0.0282 0.123264 0.366877 0.031 Uiso 1 1 calc R U . . .
C24 C 0.7041(4) 0.8990(5) 0.6600(4) 0.0175(11) Uani 1 1 d . U . . .
C25 C 0.6510(5) 0.8252(5) 0.6448(4) 0.0217(12) Uani 1 1 d . U . . .
H25 H 0.602156 0.851384 0.593616 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6680(5) 0.7153(5) 0.7027(4) 0.0241(13) Uani 1 1 d . U . . .
H26 H 0.631309 0.665345 0.692044 0.029 Uiso 1 1 calc R U . . .
C27 C 0.7398(5) 0.6780(5) 0.7772(4) 0.0243(12) Uani 1 1 d . U . . .
C28 C 0.7934(5) 0.7513(5) 0.7896(4) 0.0199(12) Uani 1 1 d . U . . .
H28 H 0.844134 0.725168 0.839378 0.024 Uiso 1 1 calc R U . . .
C29 C 0.7548(6) 0.5640(6) 0.8462(5) 0.0379(16) Uani 1 1 d . U . . .
C30 C 0.6910(4) 1.0172(5) 0.6111(4) 0.0160(11) Uani 1 1 d . U . . .
C31 C 0.7504(4) 1.0727(5) 0.6469(4) 0.0160(11) Uani 1 1 d . U . . .
C32 C 0.7291(4) 1.1882(5) 0.6060(4) 0.0176(12) Uani 1 1 d . U . . .
H32 H 0.766281 1.229188 0.628096 0.021 Uiso 1 1 calc R U . . .
C33 C 0.6540(4) 1.2460(5) 0.5329(4) 0.0170(11) Uani 1 1 d . U . . .
C34 C 0.6016(4) 1.1899(5) 0.4960(4) 0.0171(11) Uani 1 1 d . U . . .
H34 H 0.554101 1.229265 0.444009 0.021 Uiso 1 1 calc R U . . .
C35 C 0.6193(5) 1.0764(5) 0.5357(4) 0.0186(12) Uani 1 1 d . U . . .
H35 H 0.582396 1.036762 0.511825 0.022 Uiso 1 1 calc R U . . .
C36 C 0.5692(5) 1.4249(5) 0.4242(4) 0.0228(13) Uani 1 1 d . U . . .
H36A H 0.597923 1.400018 0.366242 0.034 Uiso 1 1 calc R U . . .
H36B H 0.570959 1.503923 0.406202 0.034 Uiso 1 1 calc R U . . .
H36C H 0.489523 1.414924 0.447344 0.034 Uiso 1 1 calc R U . . .
C37 C 0.9477(4) 1.1661(4) 0.7438(4) 0.0169(11) Uani 1 1 d . U . . .
H37 H 0.897877 1.212349 0.69487 0.02 Uiso 1 1 calc R U . . .
C38 C 1.0162(4) 1.2153(5) 0.7724(4) 0.0181(12) Uani 1 1 d . U . . .
H38 H 1.011842 1.293325 0.742705 0.022 Uiso 1 1 calc R U . . .
C39 C 1.0931(4) 1.1536(5) 0.8444(4) 0.0154(11) Uani 1 1 d . U . . .
C40 C 1.0962(4) 1.0354(5) 0.8840(4) 0.0161(11) Uani 1 1 d . U . . .
C41 C 1.1664(5) 0.8583(5) 0.9848(4) 0.0226(13) Uani 1 1 d . U . . .
H41 H 1.216833 0.810008 1.032572 0.027 Uiso 1 1 calc R U . . .
C42 C 1.0967(4) 0.8094(5) 0.9552(4) 0.0182(12) Uani 1 1 d . U . . .
H42 H 1.100128 0.731248 0.982029 0.022 Uiso 1 1 calc R U . . .
C43 C 1.0222(4) 0.8769(5) 0.8858(4) 0.0156(11) Uani 1 1 d . U . . .
C44 C 1.1426(6) 1.3285(5) 0.8254(5) 0.0344(16) Uani 1 1 d . U . . .
H44A H 1.189504 1.355622 0.855741 0.052 Uiso 1 1 calc R U . . .
H44B H 1.061017 1.364483 0.835588 0.052 Uiso 1 1 calc R U . . .
H44C H 1.168028 1.346344 0.754189 0.052 Uiso 1 1 calc R U . . .
C45 C 1.2385(5) 1.1574(5) 0.9445(4) 0.0253(13) Uani 1 1 d . U . . .
H45A H 1.268517 1.078561 0.950346 0.038 Uiso 1 1 calc R U . . .
H45B H 1.19954 1.163404 1.008717 0.038 Uiso 1 1 calc R U . . .
H45C H 1.302755 1.196481 0.923732 0.038 Uiso 1 1 calc R U . . .
C56 C 1.0215(4) 0.9928(5) 0.8500(4) 0.0158(11) Uani 1 1 d . U . . .
F4 F 0.6623(9) 0.5226(7) 0.8921(8) 0.0574(11) Uani 0.454(4) 1 d . U P A 1
F5 F 0.8288(10) 0.5325(8) 0.9171(8) 0.0574(11) Uani 0.454(4) 1 d . U P A 1
F6 F 0.8109(9) 0.4776(7) 0.8059(7) 0.0574(11) Uani 0.454(4) 1 d . U P A 1
F4' F 0.7181(8) 0.4989(6) 0.8141(6) 0.0574(11) Uani 0.546(4) 1 d . U P A 2
F5' F 0.6929(7) 0.5651(6) 0.9343(6) 0.0574(11) Uani 0.546(4) 1 d . U P A 2
F6' F 0.8626(8) 0.5212(7) 0.8629(7) 0.0574(11) Uani 0.546(4) 1 d . U P A 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 1.997(4) . ?
Pt1 C8 2.002(5) . ?
Pt1 N2 2.032(4) . ?
Pt1 O4 2.082(4) . ?
Pt2 N5 1.994(4) . ?
Pt2 C31 2.011(5) . ?
Pt2 N6 2.039(4) . ?
Pt2 O3 2.071(4) . ?
F1 C6 1.341(6) . ?
F2 C6 1.337(6) . ?
F3 C6 1.331(6) . ?
O1 C10 1.358(6) . ?
O1 C13 1.426(6) . ?
O2 C33 1.375(6) . ?
O2 C36 1.436(6) . ?
O3 C43 1.318(6) . ?
O4 C20 1.325(6) . ?
N1 C5 1.343(7) . ?
N1 C1 1.364(6) . ?
N2 C14 1.319(6) . ?
N2 C21 1.381(6) . ?
N3 C18 1.316(7) . ?
N3 C17 1.353(7) . ?
N4 C16 1.347(7) . ?
N4 C23 1.457(7) . ?
N4 C22 1.463(7) . ?
N5 C28 1.341(7) . ?
N5 C24 1.376(7) . ?
N6 C37 1.324(7) . ?
N6 C56 1.387(6) . ?
N7 C41 1.325(7) . ?
N7 C40 1.373(7) . ?
N8 C39 1.354(7) . ?
N8 C44 1.458(7) . ?
N8 C45 1.461(7) . ?
C1 C2 1.395(7) . ?
C1 C7 1.457(7) . ?
C2 C3 1.368(7) . ?
C3 C4 1.387(7) . ?
C4 C5 1.372(7) . ?
C4 C6 1.494(8) . ?
C7 C12 1.373(7) . ?
C7 C8 1.441(7) . ?
C8 C9 1.377(7) . ?
C9 C10 1.404(7) . ?
C10 C11 1.408(7) . ?
C11 C12 1.384(7) . ?
C14 C15 1.385(7) . ?
C15 C16 1.403(7) . ?
C16 C17 1.458(7) . ?
C17 C21 1.416(7) . ?
C18 C19 1.393(8) . ?
C19 C20 1.371(7) . ?
C20 C21 1.424(7) . ?
C24 C25 1.391(7) . ?
C24 C30 1.436(8) . ?
C25 C26 1.369(8) . ?
C26 C27 1.389(8) . ?
C27 C28 1.371(8) . ?
C27 C29 1.460(9) . ?
C29 F6' 1.306(11) . ?
C29 F4' 1.307(10) . ?
C29 F4 1.324(12) . ?
C29 F5' 1.354(11) . ?
C29 F5 1.377(13) . ?
C29 F6 1.414(12) . ?
C30 C35 1.400(7) . ?
C30 C31 1.419(7) . ?
C31 C32 1.389(7) . ?
C32 C33 1.402(7) . ?
C33 C34 1.375(7) . ?
C34 C35 1.365(8) . ?
C37 C38 1.372(7) . ?
C38 C39 1.412(7) . ?
C39 C40 1.442(7) . ?
C40 C56 1.417(7) . ?
C41 C42 1.390(8) . ?
C42 C43 1.382(7) . ?
C43 C56 1.419(7) . ?

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 C8 81.22(19) . . ?
N1 Pt1 N2 171.69(17) . . ?
C8 Pt1 N2 106.08(19) . . ?
N1 Pt1 O4 92.15(15) . . ?
C8 Pt1 O4 173.21(18) . . ?
N2 Pt1 O4 80.64(16) . . ?
N5 Pt2 C31 80.6(2) . . ?
N5 Pt2 N6 171.71(17) . . ?
C31 Pt2 N6 107.7(2) . . ?
N5 Pt2 O3 91.02(16) . . ?
C31 Pt2 O3 171.49(18) . . ?
N6 Pt2 O3 80.72(16) . . ?
C10 O1 C13 117.4(4) . . ?
C33 O2 C36 117.5(4) . . ?
C43 O3 Pt2 112.3(3) . . ?
C20 O4 Pt1 112.1(3) . . ?
C5 N1 C1 119.5(4) . . ?
C5 N1 Pt1 122.9(4) . . ?
C1 N1 Pt1 117.4(3) . . ?
C14 N2 C21 116.1(4) . . ?
C14 N2 Pt1 131.0(4) . . ?
C21 N2 Pt1 112.7(3) . . ?
C18 N3 C17 117.5(5) . . ?
C16 N4 C23 119.4(4) . . ?
C16 N4 C22 126.4(5) . . ?
C23 N4 C22 114.1(4) . . ?
C28 N5 C24 120.4(5) . . ?
C28 N5 Pt2 122.4(4) . . ?
C24 N5 Pt2 117.2(4) . . ?
C37 N6 C56 116.5(4) . . ?
C37 N6 Pt2 131.2(4) . . ?
C56 N6 Pt2 112.3(4) . . ?
C41 N7 C40 116.8(5) . . ?
C39 N8 C44 119.4(4) . . ?
C39 N8 C45 126.2(5) . . ?
C44 N8 C45 114.4(4) . . ?
N1 C1 C2 120.4(5) . . ?
N1 C1 C7 113.1(4) . . ?
C2 C1 C7 126.5(5) . . ?
C3 C2 C1 119.9(5) . . ?
C2 C3 C4 118.8(5) . . ?
C5 C4 C3 119.9(5) . . ?
C5 C4 C6 120.2(5) . . ?
C3 C4 C6 119.9(5) . . ?
N1 C5 C4 121.5(5) . . ?
F3 C6 F2 106.6(5) . . ?
F3 C6 F1 105.8(4) . . ?
F2 C6 F1 106.1(4) . . ?
F3 C6 C4 113.5(4) . . ?
F2 C6 C4 112.1(4) . . ?
F1 C6 C4 112.2(5) . . ?
C12 C7 C8 121.6(5) . . ?
C12 C7 C1 123.4(5) . . ?
C8 C7 C1 115.0(5) . . ?
C9 C8 C7 115.5(5) . . ?
C9 C8 Pt1 131.5(4) . . ?
C7 C8 Pt1 113.0(4) . . ?
C8 C9 C10 123.0(5) . . ?
O1 C10 C9 116.6(5) . . ?
O1 C10 C11 123.1(5) . . ?
C9 C10 C11 120.3(5) . . ?
C12 C11 C10 117.4(5) . . ?
C7 C12 C11 122.2(5) . . ?
N2 C14 C15 124.1(5) . . ?
C14 C15 C16 122.6(5) . . ?
N4 C16 C15 120.2(5) . . ?
N4 C16 C17 124.9(5) . . ?
C15 C16 C17 114.8(5) . . ?
N3 C17 C21 121.2(5) . . ?
N3 C17 C16 121.0(5) . . ?
C21 C17 C16 117.7(5) . . ?
N3 C18 C19 125.7(6) . . ?
C20 C19 C18 118.5(5) . . ?
O4 C20 C19 124.0(5) . . ?
O4 C20 C21 118.3(5) . . ?
C19 C20 C21 117.7(5) . . ?
N2 C21 C17 124.5(5) . . ?
N2 C21 C20 116.1(5) . . ?
C17 C21 C20 119.3(5) . . ?
N5 C24 C25 118.8(5) . . ?
N5 C24 C30 112.6(5) . . ?
C25 C24 C30 128.5(5) . . ?
C26 C25 C24 120.9(5) . . ?
C25 C26 C27 119.0(5) . . ?
C28 C27 C26 119.3(6) . . ?
C28 C27 C29 118.9(6) . . ?
C26 C27 C29 121.7(6) . . ?
N5 C28 C27 121.7(5) . . ?
F6' C29 F4' 109.1(8) . . ?
F6' C29 F5' 106.9(7) . . ?
F4' C29 F5' 108.1(7) . . ?
F4 C29 F5 105.8(8) . . ?
F4 C29 F6 97.1(8) . . ?
F5 C29 F6 95.0(8) . . ?
F6' C29 C27 112.0(6) . . ?
F4' C29 C27 111.6(6) . . ?
F4 C29 C27 119.3(7) . . ?
F5' C29 C27 109.0(6) . . ?
F5 C29 C27 118.4(7) . . ?
F6 C29 C27 116.7(7) . . ?
C35 C30 C31 121.2(5) . . ?
C35 C30 C24 122.7(5) . . ?
C31 C30 C24 116.1(5) . . ?
C32 C31 C30 116.0(5) . . ?
C32 C31 Pt2 131.0(4) . . ?
C30 C31 Pt2 113.0(4) . . ?
C31 C32 C33 121.7(5) . . ?
O2 C33 C34 124.7(5) . . ?
O2 C33 C32 114.1(5) . . ?
C34 C33 C32 121.1(5) . . ?
C35 C34 C33 118.5(5) . . ?
C34 C35 C30 121.3(5) . . ?
N6 C37 C38 124.2(5) . . ?
C37 C38 C39 122.1(5) . . ?
N8 C39 C38 119.1(5) . . ?
N8 C39 C40 125.6(5) . . ?
C38 C39 C40 115.3(5) . . ?
N7 C40 C56 120.7(5) . . ?
N7 C40 C39 121.1(5) . . ?
C56 C40 C39 118.2(5) . . ?
N7 C41 C42 126.3(5) . . ?
C43 C42 C41 118.5(5) . . ?
O3 C43 C42 124.0(5) . . ?
O3 C43 C56 118.8(4) . . ?
C42 C43 C56 117.3(5) . . ?
N6 C56 C40 123.6(5) . . ?
N6 C56 C43 115.9(5) . . ?
C40 C56 C43 120.4(5) . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
