# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_complex2
_database_code_depnum_ccdc_archive 'CCDC 1413686'
_audit_update_record             
;
2015-07-20 deposited with the CCDC.
2015-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H34 Cl4 F6 N6 Pt'
_chemical_formula_weight         1025.60

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'
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                   11.3477(11)
_cell_length_b                   17.9505(16)
_cell_length_c                   19.3631(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.698(2)
_cell_angle_gamma                90.00
_cell_volume                     3924.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4858
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      23.79

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2016
_exptl_absorpt_coefficient_mu    3.913
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3254
_exptl_absorpt_correction_T_max  0.5083
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27188
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.00
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8997
_reflns_number_gt                7120
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_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)+(0.0625P)²+12.7045P] 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         8997
_refine_ls_number_parameters     502
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0444
_refine_ls_wR_factor_ref         0.1268
_refine_ls_wR_factor_gt          0.1174
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.013
_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
Pt Pt 0.623035(19) 0.527075(12) 0.055265(10) 0.02265(8) Uani 1 1 d . . .
N1 N 0.5448(5) 0.4202(3) 0.1653(3) 0.0297(11) Uani 1 1 d . . .
N2 N 0.5804(4) 0.4327(3) 0.1019(2) 0.0249(10) Uani 1 1 d . . .
N3 N 0.6738(4) 0.4495(3) -0.0105(2) 0.0254(10) Uani 1 1 d . . .
N4 N 0.7296(4) 0.4553(3) -0.0683(2) 0.0269(11) Uani 1 1 d . . .
N5 N 0.5755(4) 0.6035(3) 0.1238(2) 0.0259(11) Uani 1 1 d . . .
N6 N 0.6772(4) 0.6213(3) 0.0111(2) 0.0259(11) Uani 1 1 d . . .
C1 C 0.5144(7) 0.3125(4) 0.2380(4) 0.0451(18) Uani 1 1 d . . .
C2 C 0.5433(6) 0.3457(4) 0.1719(3) 0.0319(14) Uani 1 1 d . . .
C3 C 0.5780(6) 0.3091(4) 0.1126(3) 0.0300(13) Uani 1 1 d . . .
H3 H 0.5835 0.2571 0.1044 0.036 Uiso 1 1 calc R . .
C4 C 0.6022(5) 0.3672(3) 0.0695(3) 0.0270(12) Uani 1 1 d . . .
C5 C 0.6543(5) 0.3772(3) 0.0046(3) 0.0244(12) Uani 1 1 d . . .
C6 C 0.6986(6) 0.3331(3) -0.0449(3) 0.0290(13) Uani 1 1 d . . .
H6 H 0.6980 0.2804 -0.0485 0.035 Uiso 1 1 calc R . .
C7 C 0.7447(5) 0.3854(3) -0.0886(3) 0.0278(13) Uani 1 1 d . . .
C8 C 0.8118(6) 0.3709(4) -0.1493(3) 0.0353(15) Uani 1 1 d . . .
C9 C 0.5137(5) 0.5901(3) 0.1784(3) 0.0278(13) Uani 1 1 d . . .
H9 H 0.4848 0.5412 0.1851 0.033 Uiso 1 1 calc R . .
C10 C 0.4914(5) 0.6450(3) 0.2247(3) 0.0289(13) Uani 1 1 d . . .
H10 H 0.4466 0.6336 0.2623 0.035 Uiso 1 1 calc R . .
C11 C 0.5338(5) 0.7173(3) 0.2174(3) 0.0264(12) Uani 1 1 d . . .
C12 C 0.5953(5) 0.7313(3) 0.1599(3) 0.0283(13) Uani 1 1 d . . .
H12 H 0.6246 0.7798 0.1523 0.034 Uiso 1 1 calc R . .
C13 C 0.6137(5) 0.6740(3) 0.1138(3) 0.0247(12) Uani 1 1 d . . .
C14 C 0.6742(5) 0.6836(3) 0.0507(3) 0.0268(13) Uani 1 1 d . . .
C15 C 0.7199(6) 0.7503(4) 0.0301(3) 0.0310(14) Uani 1 1 d . . .
H15 H 0.7172 0.7931 0.0588 0.037 Uiso 1 1 calc R . .
C16 C 0.7703(6) 0.7552(3) -0.0328(3) 0.0313(14) Uani 1 1 d . . .
C17 C 0.7664(6) 0.6916(3) -0.0739(3) 0.0328(14) Uani 1 1 d . . .
H17 H 0.7959 0.6934 -0.1181 0.039 Uiso 1 1 calc R . .
C18 C 0.7203(6) 0.6263(4) -0.0511(3) 0.0304(14) Uani 1 1 d . . .
H18 H 0.7188 0.5834 -0.0800 0.037 Uiso 1 1 calc R . .
C19 C 0.5230(5) 0.7762(3) 0.2703(3) 0.0262(12) Uani 1 1 d . . .
C20 C 0.4510(5) 0.8397(3) 0.2567(3) 0.0276(13) Uani 1 1 d . . .
C21 C 0.4506(5) 0.8946(4) 0.3076(3) 0.0306(13) Uani 1 1 d . . .
H21 H 0.4029 0.9376 0.2985 0.037 Uiso 1 1 calc R . .
C22 C 0.5175(6) 0.8883(4) 0.3711(3) 0.0341(15) Uani 1 1 d . . .
C23 C 0.5860(5) 0.8252(4) 0.3842(3) 0.0324(14) Uani 1 1 d . . .
H23 H 0.6314 0.8200 0.4279 0.039 Uiso 1 1 calc R . .
C24 C 0.5899(5) 0.7688(4) 0.3347(3) 0.0290(13) Uani 1 1 d . . .
C25 C 0.3762(6) 0.8496(4) 0.1890(3) 0.0341(14) Uani 1 1 d . . .
H25A H 0.3092 0.8824 0.1957 0.051 Uiso 1 1 calc R . .
H25B H 0.3465 0.8010 0.1720 0.051 Uiso 1 1 calc R . .
H25C H 0.4240 0.8719 0.1549 0.051 Uiso 1 1 calc R . .
C26 C 0.5177(7) 0.9494(4) 0.4253(4) 0.0444(18) Uani 1 1 d . . .
H26A H 0.5789 0.9861 0.4175 0.067 Uiso 1 1 calc R . .
H26B H 0.5342 0.9277 0.4717 0.067 Uiso 1 1 calc R . .
H26C H 0.4401 0.9738 0.4216 0.067 Uiso 1 1 calc R . .
C27 C 0.6683(6) 0.7015(4) 0.3523(3) 0.0378(15) Uani 1 1 d . . .
H27A H 0.7098 0.7076 0.3988 0.057 Uiso 1 1 calc R . .
H27B H 0.7263 0.6969 0.3183 0.057 Uiso 1 1 calc R . .
H27C H 0.6193 0.6564 0.3511 0.057 Uiso 1 1 calc R . .
C28 C 0.8277(6) 0.8256(4) -0.0544(3) 0.0356(15) Uani 1 1 d . . .
C29 C 0.7701(7) 0.8693(4) -0.1078(3) 0.0405(17) Uani 1 1 d . . .
C30 C 0.8287(8) 0.9329(4) -0.1289(4) 0.0449(18) Uani 1 1 d . . .
H30 H 0.7905 0.9637 -0.1643 0.054 Uiso 1 1 calc R . .
C31 C 0.9403(8) 0.9518(4) -0.0997(4) 0.049(2) Uani 1 1 d . . .
C32 C 0.9941(7) 0.9081(4) -0.0470(4) 0.0480(19) Uani 1 1 d . . .
H32 H 1.0702 0.9221 -0.0261 0.058 Uiso 1 1 calc R . .
C33 C 0.9406(7) 0.8438(4) -0.0231(3) 0.0395(17) Uani 1 1 d . . .
C34 C 0.6511(8) 0.8504(5) -0.1421(4) 0.057(2) Uani 1 1 d . . .
H34A H 0.6582 0.8096 -0.1750 0.086 Uiso 1 1 calc R . .
H34B H 0.6171 0.8941 -0.1669 0.086 Uiso 1 1 calc R . .
H34C H 0.5996 0.8350 -0.1069 0.086 Uiso 1 1 calc R . .
C35 C 1.0080(11) 1.0184(5) -0.1249(5) 0.078(4) Uani 1 1 d . . .
H35A H 1.0427 1.0049 -0.1676 0.118 Uiso 1 1 calc R . .
H35B H 1.0711 1.0326 -0.0892 0.118 Uiso 1 1 calc R . .
H35C H 0.9535 1.0604 -0.1343 0.118 Uiso 1 1 calc R . .
C36 C 1.0030(7) 0.7969(5) 0.0328(4) 0.0493(19) Uani 1 1 d . . .
H36A H 0.9644 0.8027 0.0756 0.074 Uiso 1 1 calc R . .
H36B H 1.0859 0.8128 0.0411 0.074 Uiso 1 1 calc R . .
H36C H 0.9997 0.7446 0.0185 0.074 Uiso 1 1 calc R . .
F1 F 0.5834(5) 0.3403(3) 0.2930(2) 0.0675(15) Uani 1 1 d . . .
F2 F 0.4039(5) 0.3226(3) 0.2515(3) 0.0756(17) Uani 1 1 d . . .
F3 F 0.5362(5) 0.2388(2) 0.2398(2) 0.0543(12) Uani 1 1 d . . .
F4 F 0.7932(4) 0.4227(2) -0.1987(2) 0.0547(12) Uani 1 1 d . . .
F5 F 0.9286(4) 0.3699(3) -0.1328(2) 0.0603(13) Uani 1 1 d . . .
F6 F 0.7841(4) 0.3058(2) -0.1793(2) 0.0557(12) Uani 1 1 d . . .
C37 C 0.398(2) 0.9274(8) 0.9671(11) 0.210(12) Uani 1 1 d . . .
H37A H 0.3480 0.9128 0.9246 0.252 Uiso 1 1 calc R . .
H37B H 0.4666 0.9555 0.9522 0.252 Uiso 1 1 calc R . .
Cl1 Cl 0.3186(4) 0.9863(3) 1.0138(3) 0.1415(16) Uani 1 1 d . . .
Cl2 Cl 0.4491(5) 0.8516(3) 1.0056(2) 0.1484(17) Uani 1 1 d . . .
C38 C 0.7946(8) 0.4725(5) 0.2530(5) 0.062(2) Uani 1 1 d . . .
H38A H 0.8273 0.4365 0.2212 0.075 Uiso 1 1 calc R . .
H38B H 0.7074 0.4728 0.2426 0.075 Uiso 1 1 calc R . .
Cl3 Cl 0.8491(3) 0.56062(17) 0.23760(16) 0.0846(8) Uani 1 1 d . . .
Cl4 Cl 0.8309(3) 0.44309(17) 0.33944(15) 0.0809(7) 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
Pt N2 2.001(5) . ?
Pt N3 2.009(5) . ?
Pt N6 2.019(5) . ?
Pt N5 2.019(5) . ?
N1 C2 1.344(8) . ?
N1 N2 1.348(6) . ?
N2 C4 1.367(8) . ?
N3 N4 1.345(6) . ?
N3 C5 1.353(8) . ?
N4 C7 1.331(8) . ?
N5 C9 1.347(7) . ?
N5 C13 1.358(8) . ?
N6 C18 1.348(7) . ?
N6 C14 1.358(7) . ?
C1 F2 1.319(9) . ?
C1 F3 1.345(8) . ?
C1 F1 1.353(9) . ?
C1 C2 1.477(9) . ?
C2 C3 1.413(8) . ?
C3 C4 1.382(8) . ?
C4 C5 1.452(8) . ?
C5 C6 1.375(8) . ?
C6 C7 1.399(8) . ?
C7 C8 1.485(8) . ?
C8 F6 1.329(8) . ?
C8 F5 1.332(8) . ?
C8 F4 1.336(8) . ?
C9 C10 1.373(8) . ?
C10 C11 1.396(9) . ?
C11 C12 1.394(8) . ?
C11 C19 1.486(8) . ?
C12 C13 1.390(8) . ?
C13 C14 1.470(7) . ?
C14 C15 1.380(8) . ?
C15 C16 1.399(8) . ?
C16 C17 1.390(8) . ?
C16 C28 1.499(9) . ?
C17 C18 1.376(9) . ?
C19 C24 1.401(9) . ?
C19 C20 1.413(9) . ?
C20 C21 1.393(8) . ?
C20 C25 1.501(8) . ?
C21 C22 1.384(9) . ?
C22 C23 1.383(9) . ?
C22 C26 1.517(9) . ?
C23 C24 1.397(9) . ?
C24 C27 1.520(9) . ?
C28 C33 1.400(10) . ?
C28 C29 1.407(10) . ?
C29 C30 1.403(9) . ?
C29 C34 1.483(11) . ?
C30 C31 1.377(12) . ?
C31 C32 1.380(12) . ?
C31 C35 1.527(10) . ?
C32 C33 1.403(9) . ?
C33 C36 1.494(11) . ?
C37 Cl2 1.629(17) . ?
C37 Cl1 1.710(15) . ?
C38 Cl3 1.735(10) . ?
C38 Cl4 1.765(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
N2 Pt N3 78.3(2) . . ?
N2 Pt N6 176.2(2) . . ?
N3 Pt N6 101.21(19) . . ?
N2 Pt N5 100.73(19) . . ?
N3 Pt N5 178.1(2) . . ?
N6 Pt N5 79.70(19) . . ?
C2 N1 N2 105.1(5) . . ?
N1 N2 C4 111.0(5) . . ?
N1 N2 Pt 131.3(4) . . ?
C4 N2 Pt 117.3(4) . . ?
N4 N3 C5 110.8(5) . . ?
N4 N3 Pt 131.5(4) . . ?
C5 N3 Pt 117.7(4) . . ?
C7 N4 N3 104.9(5) . . ?
C9 N5 C13 118.5(5) . . ?
C9 N5 Pt 126.0(4) . . ?
C13 N5 Pt 115.5(3) . . ?
C18 N6 C14 118.8(5) . . ?
C18 N6 Pt 125.9(4) . . ?
C14 N6 Pt 115.2(4) . . ?
F2 C1 F3 107.8(6) . . ?
F2 C1 F1 106.3(6) . . ?
F3 C1 F1 104.6(6) . . ?
F2 C1 C2 114.4(7) . . ?
F3 C1 C2 111.3(6) . . ?
F1 C1 C2 111.8(6) . . ?
N1 C2 C3 112.2(5) . . ?
N1 C2 C1 119.4(6) . . ?
C3 C2 C1 128.3(6) . . ?
C4 C3 C2 103.2(5) . . ?
N2 C4 C3 108.5(5) . . ?
N2 C4 C5 113.5(5) . . ?
C3 C4 C5 137.6(6) . . ?
N3 C5 C6 108.8(5) . . ?
N3 C5 C4 113.2(5) . . ?
C6 C5 C4 137.8(6) . . ?
C5 C6 C7 102.7(5) . . ?
N4 C7 C6 112.7(5) . . ?
N4 C7 C8 119.4(5) . . ?
C6 C7 C8 127.8(6) . . ?
F6 C8 F5 106.3(6) . . ?
F6 C8 F4 106.6(5) . . ?
F5 C8 F4 105.3(5) . . ?
F6 C8 C7 112.5(5) . . ?
F5 C8 C7 112.8(5) . . ?
F4 C8 C7 112.8(6) . . ?
N5 C9 C10 121.9(6) . . ?
C9 C10 C11 120.9(5) . . ?
C12 C11 C10 117.0(5) . . ?
C12 C11 C19 120.2(5) . . ?
C10 C11 C19 122.6(5) . . ?
C13 C12 C11 119.9(6) . . ?
N5 C13 C12 121.8(5) . . ?
N5 C13 C14 114.2(5) . . ?
C12 C13 C14 124.1(5) . . ?
N6 C14 C15 121.4(5) . . ?
N6 C14 C13 114.4(5) . . ?
C15 C14 C13 124.2(5) . . ?
C14 C15 C16 120.2(6) . . ?
C17 C16 C15 117.1(5) . . ?
C17 C16 C28 121.4(5) . . ?
C15 C16 C28 121.4(5) . . ?
C18 C17 C16 120.5(5) . . ?
N6 C18 C17 121.8(6) . . ?
C24 C19 C20 119.6(5) . . ?
C24 C19 C11 118.2(5) . . ?
C20 C19 C11 122.2(5) . . ?
C21 C20 C19 118.8(6) . . ?
C21 C20 C25 119.6(6) . . ?
C19 C20 C25 121.6(5) . . ?
C22 C21 C20 122.0(6) . . ?
C23 C22 C21 118.6(6) . . ?
C23 C22 C26 120.2(6) . . ?
C21 C22 C26 121.2(6) . . ?
C22 C23 C24 121.5(6) . . ?
C23 C24 C19 119.5(6) . . ?
C23 C24 C27 118.7(6) . . ?
C19 C24 C27 121.8(5) . . ?
C33 C28 C29 121.7(6) . . ?
C33 C28 C16 118.8(6) . . ?
C29 C28 C16 119.4(6) . . ?
C30 C29 C28 118.0(7) . . ?
C30 C29 C34 119.5(7) . . ?
C28 C29 C34 122.5(6) . . ?
C31 C30 C29 121.6(7) . . ?
C30 C31 C32 119.0(7) . . ?
C30 C31 C35 122.1(8) . . ?
C32 C31 C35 118.8(9) . . ?
C31 C32 C33 122.5(8) . . ?
C28 C33 C32 117.2(7) . . ?
C28 C33 C36 121.9(6) . . ?
C32 C33 C36 120.8(7) . . ?
Cl2 C37 Cl1 117.1(12) . . ?
Cl3 C38 Cl4 112.5(5) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.876
_refine_diff_density_rms         0.173
####################################################################### 
# 
# 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_complex3
_database_code_depnum_ccdc_archive 'CCDC 1413687'
_audit_update_record             
;
2015-07-20 deposited with the CCDC.
2015-09-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H34 Cl2 F6 N6 Pt'
_chemical_formula_weight         858.62

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'
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           Orthorhombic
_symmetry_space_group_name_H-M   Pbcn

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

_cell_length_a                   14.7879(6)
_cell_length_b                   18.8945(7)
_cell_length_c                   23.5291(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6574.3(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6346
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      24.74

_exptl_crystal_description       block
_exptl_crystal_colour            light-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    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3376
_exptl_absorpt_coefficient_mu    4.496
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4667
_exptl_absorpt_correction_T_max  0.5520
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            48712
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.73
_diffrn_reflns_theta_max         27.50
_reflns_number_total             7558
_reflns_number_gt                5920
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_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. The distance restraints are
 used to to a disordered t-Butyl group and a disordered CH2Cl2 solvent.
;

_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)+(0.0345P)²+16.6347P] 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         7558
_refine_ls_number_parameters     425
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.0879
_refine_ls_wR_factor_gt          0.0810
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.045
_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
Pt Pt 0.864296(12) 0.205651(9) 0.293468(7) 0.02068(6) Uani 1 1 d . . .
N1 N 0.8766(2) 0.30112(19) 0.25547(17) 0.0225(8) Uani 1 1 d . . .
N2 N 0.8924(3) 0.1755(2) 0.21277(15) 0.0218(8) Uani 1 1 d . . .
N3 N 0.8902(3) 0.2967(2) 0.39366(17) 0.0251(8) Uani 1 1 d . . .
N4 N 0.8416(2) 0.2415(2) 0.37188(16) 0.0220(8) Uani 1 1 d . . .
N5 N 0.8412(3) 0.1098(2) 0.32783(16) 0.0229(8) Uani 1 1 d . . .
N6 N 0.8833(3) 0.0501(2) 0.31013(17) 0.0262(9) Uani 1 1 d . . .
C1 C 0.8611(3) 0.3639(3) 0.2799(2) 0.0269(10) Uani 1 1 d . . .
H1 H 0.8489 0.3653 0.3196 0.032 Uiso 1 1 calc R . .
C2 C 0.8620(3) 0.4264(2) 0.2501(2) 0.0291(11) Uani 1 1 d . . .
H2 H 0.8491 0.4695 0.2691 0.035 Uiso 1 1 calc R . .
C3 C 0.8816(3) 0.4271(3) 0.1921(2) 0.0266(11) Uani 1 1 d . A .
C4 C 0.8987(3) 0.3618(2) 0.1673(2) 0.0259(10) Uani 1 1 d . . .
H4 H 0.9141 0.3596 0.1281 0.031 Uiso 1 1 calc R . .
C5 C 0.8938(3) 0.2999(2) 0.19842(18) 0.0220(9) Uani 1 1 d . . .
C6 C 0.9030(3) 0.2292(2) 0.17431(19) 0.0215(9) Uani 1 1 d . . .
C7 C 0.9188(3) 0.2160(2) 0.1173(2) 0.0231(9) Uani 1 1 d . . .
H7 H 0.9244 0.2545 0.0916 0.028 Uiso 1 1 calc R . .
C8 C 0.9265(3) 0.1466(2) 0.09708(19) 0.0225(10) Uani 1 1 d . . .
C9 C 0.9181(3) 0.0934(2) 0.1373(2) 0.0277(11) Uani 1 1 d . . .
H9 H 0.9237 0.0454 0.1258 0.033 Uiso 1 1 calc R . .
C10 C 0.9019(3) 0.1085(2) 0.1935(2) 0.0270(10) Uani 1 1 d . . .
H10 H 0.8971 0.0705 0.2197 0.032 Uiso 1 1 calc R . .
C11 C 0.8829(4) 0.4953(3) 0.1568(2) 0.0363(13) Uani 1 1 d D . .
C12 C 0.8474(9) 0.5589(5) 0.1901(5) 0.069(4) Uani 0.675(3) 1 d P A 1
H12A H 0.7813 0.5603 0.1876 0.103 Uiso 0.675(3) 1 calc PR A 1
H12B H 0.8726 0.6025 0.1741 0.103 Uiso 0.675(3) 1 calc PR A 1
H12C H 0.8656 0.5546 0.2300 0.103 Uiso 0.675(3) 1 calc PR A 1
C13 C 0.9790(7) 0.5067(11) 0.1360(5) 0.061(4) Uani 0.675(3) 1 d P A 1
H13A H 0.9947 0.4698 0.1085 0.091 Uiso 0.675(3) 1 calc PR A 1
H13B H 1.0207 0.5044 0.1683 0.091 Uiso 0.675(3) 1 calc PR A 1
H13C H 0.9837 0.5533 0.1179 0.091 Uiso 0.675(3) 1 calc PR A 1
C14 C 0.817(2) 0.4811(7) 0.1072(12) 0.079(5) Uani 0.675(3) 1 d PD A 1
H14A H 0.8264 0.4330 0.0928 0.119 Uiso 0.675(3) 1 calc PR A 1
H14B H 0.8283 0.5152 0.0766 0.119 Uiso 0.675(3) 1 calc PR A 1
H14C H 0.7547 0.4861 0.1206 0.119 Uiso 0.675(3) 1 calc PR A 1
C12' C 0.9153(17) 0.5563(8) 0.1950(8) 0.069(4) Uani 0.325(3) 1 d PD A 2
H12D H 0.9601 0.5385 0.2221 0.103 Uiso 0.325(3) 1 calc PR A 2
H12E H 0.8636 0.5761 0.2157 0.103 Uiso 0.325(3) 1 calc PR A 2
H12F H 0.9427 0.5933 0.1714 0.103 Uiso 0.325(3) 1 calc PR A 2
C13' C 0.9610(15) 0.499(3) 0.1140(10) 0.061(4) Uani 0.325(3) 1 d PD A 2
H13D H 0.9579 0.4576 0.0885 0.091 Uiso 0.325(3) 1 calc PR A 2
H13E H 1.0188 0.4982 0.1344 0.091 Uiso 0.325(3) 1 calc PR A 2
H13F H 0.9563 0.5422 0.0916 0.091 Uiso 0.325(3) 1 calc PR A 2
C14' C 0.808(5) 0.502(2) 0.112(3) 0.079(5) Uani 0.325(3) 1 d PD A 2
H14D H 0.8052 0.4585 0.0892 0.119 Uiso 0.325(3) 1 calc PR A 2
H14E H 0.8213 0.5422 0.0867 0.119 Uiso 0.325(3) 1 calc PR A 2
H14F H 0.7497 0.5098 0.1306 0.119 Uiso 0.325(3) 1 calc PR A 2
C15 C 0.9421(3) 0.1285(2) 0.03502(19) 0.0245(10) Uani 1 1 d . . .
C16 C 0.9471(4) 0.1936(3) -0.0031(2) 0.0321(12) Uani 1 1 d . . .
H16A H 0.8910 0.2209 0.0005 0.048 Uiso 1 1 calc R . .
H16B H 0.9550 0.1788 -0.0427 0.048 Uiso 1 1 calc R . .
H16C H 0.9984 0.2231 0.0085 0.048 Uiso 1 1 calc R . .
C17 C 0.8629(3) 0.0816(3) 0.0143(2) 0.0324(11) Uani 1 1 d . . .
H17A H 0.8609 0.0380 0.0368 0.049 Uiso 1 1 calc R . .
H17B H 0.8717 0.0698 -0.0259 0.049 Uiso 1 1 calc R . .
H17C H 0.8058 0.1074 0.0188 0.049 Uiso 1 1 calc R . .
C18 C 1.0314(3) 0.0882(3) 0.0302(2) 0.0296(11) Uani 1 1 d . . .
H18A H 1.0812 0.1188 0.0426 0.044 Uiso 1 1 calc R . .
H18B H 1.0412 0.0741 -0.0094 0.044 Uiso 1 1 calc R . .
H18C H 1.0292 0.0460 0.0543 0.044 Uiso 1 1 calc R . .
C19 C 0.8999(4) 0.3596(3) 0.4836(2) 0.0312(11) Uani 1 1 d . . .
C20 C 0.8617(3) 0.3025(2) 0.4476(2) 0.0253(10) Uani 1 1 d . . .
C21 C 0.7970(3) 0.2520(2) 0.4614(2) 0.0249(10) Uani 1 1 d . . .
H21 H 0.7673 0.2452 0.4968 0.030 Uiso 1 1 calc R . .
C22 C 0.7861(3) 0.2139(2) 0.4118(2) 0.0239(10) Uani 1 1 d . . .
C23 C 0.7246(3) 0.1523(3) 0.3980(2) 0.0276(11) Uani 1 1 d . . .
C24 C 0.7798(3) 0.0949(2) 0.36912(19) 0.0245(10) Uani 1 1 d . . .
C25 C 0.7817(3) 0.0232(3) 0.3782(2) 0.0280(10) Uani 1 1 d . . .
H25 H 0.7464 -0.0034 0.4043 0.034 Uiso 1 1 calc R . .
C26 C 0.8467(3) -0.0017(2) 0.34071(19) 0.0249(10) Uani 1 1 d . . .
C27 C 0.8821(4) -0.0743(3) 0.3341(2) 0.0360(13) Uani 1 1 d . . .
C28 C 0.6844(4) 0.1220(3) 0.4531(2) 0.0378(13) Uani 1 1 d . . .
H28A H 0.6452 0.0818 0.4440 0.057 Uiso 1 1 calc R . .
H28B H 0.6490 0.1587 0.4723 0.057 Uiso 1 1 calc R . .
H28C H 0.7335 0.1062 0.4781 0.057 Uiso 1 1 calc R . .
C29 C 0.6480(3) 0.1770(3) 0.3586(3) 0.0388(13) Uani 1 1 d . . .
H29A H 0.6738 0.1973 0.3239 0.058 Uiso 1 1 calc R . .
H29B H 0.6116 0.2130 0.3781 0.058 Uiso 1 1 calc R . .
H29C H 0.6096 0.1366 0.3487 0.058 Uiso 1 1 calc R . .
F1 F 0.8650(2) 0.42402(15) 0.47120(14) 0.0402(7) Uani 1 1 d . . .
F2 F 0.9891(2) 0.36748(16) 0.47745(15) 0.0458(8) Uani 1 1 d . . .
F3 F 0.8832(3) 0.34882(18) 0.53816(13) 0.0531(10) Uani 1 1 d . . .
F4 F 0.8937(3) -0.09301(19) 0.28038(15) 0.0734(13) Uani 1 1 d . . .
F5 F 0.8281(3) -0.12280(16) 0.35761(17) 0.0562(10) Uani 1 1 d . . .
F6 F 0.9621(2) -0.08380(18) 0.35966(18) 0.0607(11) Uani 1 1 d . . .
C30 C 0.8886(10) 0.1926(10) 0.6622(7) 0.159(8) Uiso 0.675(3) 1 d PD A 1
H30A H 0.8980 0.1512 0.6873 0.191 Uiso 0.675(3) 1 calc PR A 1
H30B H 0.9490 0.2107 0.6514 0.191 Uiso 0.675(3) 1 calc PR A 1
Cl1 Cl 0.8357(3) 0.1648(2) 0.60276(14) 0.0964(11) Uani 0.675(3) 1 d PD A 1
Cl2 Cl 0.8361(3) 0.2551(2) 0.69952(17) 0.0948(10) Uani 0.675(3) 1 d PD A 1
C30' C 0.863(3) 0.200(2) 0.6915(10) 0.159(8) Uiso 0.325(3) 1 d PD A 2
H30C H 0.8803 0.1492 0.6937 0.191 Uiso 0.325(3) 1 calc PR A 2
H30D H 0.8105 0.2073 0.7168 0.191 Uiso 0.325(3) 1 calc PR A 2
Cl1' Cl 0.8341(5) 0.2203(5) 0.6238(3) 0.0964(11) Uani 0.325(3) 1 d PD A 2
Cl2' Cl 0.9517(5) 0.2509(4) 0.7141(3) 0.0948(10) Uani 0.325(3) 1 d PD . 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 N4 1.994(4) . ?
Pt N5 2.012(4) . ?
Pt N1 2.021(4) . ?
Pt N2 2.025(4) . ?
N1 C1 1.338(6) . ?
N1 C5 1.367(6) . ?
N2 C10 1.353(6) . ?
N2 C6 1.367(6) . ?
N3 C20 1.342(6) . ?
N3 N4 1.367(5) . ?
N4 C22 1.352(6) . ?
N5 N6 1.355(5) . ?
N5 C24 1.359(6) . ?
N6 C26 1.329(6) . ?
C1 C2 1.375(7) . ?
C2 C3 1.395(7) . ?
C3 C4 1.389(7) . ?
C3 C11 1.532(7) . ?
C4 C5 1.382(6) . ?
C5 C6 1.458(6) . ?
C6 C7 1.384(6) . ?
C7 C8 1.399(6) . ?
C8 C9 1.387(6) . ?
C8 C15 1.518(6) . ?
C9 C10 1.372(6) . ?
C11 C13 1.519(12) . ?
C11 C12 1.527(11) . ?
C11 C13' 1.535(10) . ?
C11 C12' 1.538(10) . ?
C11 C14' 1.539(10) . ?
C11 C14 1.544(8) . ?
C15 C16 1.524(6) . ?
C15 C18 1.529(6) . ?
C15 C17 1.548(6) . ?
C19 F3 1.323(6) . ?
C19 F2 1.336(6) . ?
C19 F1 1.354(6) . ?
C19 C20 1.483(7) . ?
C20 C21 1.390(7) . ?
C21 C22 1.381(6) . ?
C22 C23 1.513(7) . ?
C23 C24 1.517(7) . ?
C23 C29 1.536(7) . ?
C23 C28 1.536(7) . ?
C24 C25 1.372(6) . ?
C25 C26 1.387(7) . ?
C26 C27 1.477(7) . ?
C27 F4 1.323(6) . ?
C27 F5 1.336(6) . ?
C27 F6 1.340(6) . ?
C30 Cl2 1.663(9) . ?
C30 Cl1 1.687(9) . ?
C30' Cl1' 1.695(10) . ?
C30' Cl2' 1.713(10) . ?
Cl2' Cl2' 2.212(14) 3_756 ?

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
N4 Pt N5 84.55(15) . . ?
N4 Pt N1 96.97(15) . . ?
N5 Pt N1 174.84(15) . . ?
N4 Pt N2 175.96(15) . . ?
N5 Pt N2 99.14(15) . . ?
N1 Pt N2 79.49(15) . . ?
C1 N1 C5 118.0(4) . . ?
C1 N1 Pt 125.8(3) . . ?
C5 N1 Pt 115.8(3) . . ?
C10 N2 C6 117.3(4) . . ?
C10 N2 Pt 126.8(3) . . ?
C6 N2 Pt 115.8(3) . . ?
C20 N3 N4 104.6(4) . . ?
C22 N4 N3 110.6(4) . . ?
C22 N4 Pt 127.9(3) . . ?
N3 N4 Pt 121.2(3) . . ?
N6 N5 C24 110.7(4) . . ?
N6 N5 Pt 123.3(3) . . ?
C24 N5 Pt 126.0(3) . . ?
C26 N6 N5 105.1(4) . . ?
N1 C1 C2 122.7(4) . . ?
C1 C2 C3 120.7(4) . . ?
C4 C3 C2 116.1(4) . . ?
C4 C3 C11 121.1(4) . . ?
C2 C3 C11 122.8(4) . . ?
C5 C4 C3 121.4(4) . . ?
N1 C5 C4 121.0(4) . . ?
N1 C5 C6 114.6(4) . . ?
C4 C5 C6 124.4(4) . . ?
N2 C6 C7 121.8(4) . . ?
N2 C6 C5 114.3(4) . . ?
C7 C6 C5 123.9(4) . . ?
C6 C7 C8 120.8(4) . . ?
C9 C8 C7 116.1(4) . . ?
C9 C8 C15 120.4(4) . . ?
C7 C8 C15 123.5(4) . . ?
C10 C9 C8 121.4(4) . . ?
N2 C10 C9 122.4(4) . . ?
C13 C11 C12 112.0(10) . . ?
C13 C11 C3 107.8(8) . . ?
C12 C11 C3 112.2(5) . . ?
C13 C11 C13' 22.8(14) . . ?
C12 C11 C13' 124.3(19) . . ?
C3 C11 C13' 113.6(18) . . ?
C13 C11 C12' 77.9(12) . . ?
C12 C11 C12' 38.5(10) . . ?
C3 C11 C12' 108.5(8) . . ?
C13' C11 C12' 96.8(19) . . ?
C13 C11 C14' 116(4) . . ?
C12 C11 C14' 92(2) . . ?
C3 C11 C14' 116(2) . . ?
C13' C11 C14' 95(4) . . ?
C12' C11 C14' 124.3(19) . . ?
C13 C11 C14 111.8(16) . . ?
C12 C11 C14 108.0(12) . . ?
C3 C11 C14 104.8(9) . . ?
C13' C11 C14 89.1(19) . . ?
C12' C11 C14 140.2(10) . . ?
C14' C11 C14 16(3) . . ?
C8 C15 C16 113.0(4) . . ?
C8 C15 C18 108.3(4) . . ?
C16 C15 C18 108.5(4) . . ?
C8 C15 C17 108.5(4) . . ?
C16 C15 C17 108.3(4) . . ?
C18 C15 C17 110.2(4) . . ?
F3 C19 F2 107.8(4) . . ?
F3 C19 F1 106.1(4) . . ?
F2 C19 F1 104.6(4) . . ?
F3 C19 C20 111.8(4) . . ?
F2 C19 C20 113.3(4) . . ?
F1 C19 C20 112.7(4) . . ?
N3 C20 C21 112.4(4) . . ?
N3 C20 C19 118.7(4) . . ?
C21 C20 C19 128.9(4) . . ?
C22 C21 C20 103.9(4) . . ?
N4 C22 C21 108.4(4) . . ?
N4 C22 C23 120.8(4) . . ?
C21 C22 C23 130.8(4) . . ?
C22 C23 C24 108.8(4) . . ?
C22 C23 C29 109.8(4) . . ?
C24 C23 C29 110.1(4) . . ?
C22 C23 C28 109.7(4) . . ?
C24 C23 C28 108.6(4) . . ?
C29 C23 C28 109.7(4) . . ?
N5 C24 C25 107.6(4) . . ?
N5 C24 C23 122.1(4) . . ?
C25 C24 C23 130.3(4) . . ?
C24 C25 C26 104.5(4) . . ?
N6 C26 C25 112.1(4) . . ?
N6 C26 C27 118.8(4) . . ?
C25 C26 C27 128.9(4) . . ?
F4 C27 F5 106.9(5) . . ?
F4 C27 F6 106.2(5) . . ?
F5 C27 F6 104.5(4) . . ?
F4 C27 C26 113.3(4) . . ?
F5 C27 C26 112.4(5) . . ?
F6 C27 C26 112.9(4) . . ?
Cl2 C30 Cl1 116.3(7) . . ?
Cl1' C30' Cl2' 110.8(8) . . ?
C30' Cl2' Cl2' 137.0(7) . 3_756 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.354
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.126
