# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2013


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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_likai04
_database_code_depnum_ccdc_archive 'CCDC 907132'
#TrackingRef 'web_deposit_cif_file_0_WeiLu_1350907434.2-B.CIF'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C19 H13 F2 N4 O3 Pt'
_chemical_formula_weight         578.42
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/m'
_symmetry_space_group_name_Hall  '-P 2yb'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'
_cell_length_a                   6.9645(4)
_cell_length_b                   25.7559(15)
_cell_length_c                   9.9824(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.1520(10)
_cell_angle_gamma                90.00
_cell_volume                     1767.82(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1100
_exptl_absorpt_coefficient_mu    15.322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.120
_exptl_absorpt_correction_T_max  0.216
_exptl_absorpt_process_details   SADABS
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Proteum CCD'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15710
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         4.49
_diffrn_reflns_theta_max         66.07
_reflns_number_total             3089
_reflns_number_gt                3064
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0786P)^2^+28.6393P] where P=(Fo^2^+2Fc^2^)/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         3089
_refine_ls_number_parameters     259
_refine_ls_number_restraints     744
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0568
_refine_ls_wR_factor_ref         0.1503
_refine_ls_wR_factor_gt          0.1501
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.41160(7) 0.7500 0.22217(5) 0.0267(2) Uani 1 2 d S . .
Pt2 Pt -0.06770(7) 0.7500 0.30478(5) 0.0281(2) Uani 1 2 d S . .
F1 F 0.2081(19) 0.4887(4) 0.0984(16) 0.138(5) Uani 1 1 d . . .
F2 F -0.282(2) 0.4940(5) 0.4288(18) 0.159(5) Uani 1 1 d U . .
O1 O 0.3800(13) 0.6954(3) 0.0742(8) 0.052(2) Uani 1 1 d . . .
O2 O -0.0244(13) 0.6951(4) 0.4530(9) 0.062(2) Uani 1 1 d . . .
N1 N 0.3770(12) 0.6464(3) 0.3403(9) 0.0363(18) Uani 1 1 d . . .
N2 N 0.4674(11) 0.7035(3) 0.4919(8) 0.0343(17) Uani 1 1 d . . .
N3 N -0.1527(13) 0.6456(4) 0.1882(13) 0.058(3) Uani 1 1 d . . .
N4 N -0.1284(13) 0.7040(5) 0.0359(9) 0.054(3) Uani 1 1 d . . .
C1 C 0.3403(18) 0.6456(5) 0.0892(16) 0.0583(15) Uani 1 1 d U . .
C2 C 0.3045(18) 0.6154(5) -0.0302(16) 0.0626(17) Uani 1 1 d U . .
H2A H 0.3094 0.6310 -0.1136 0.075 Uiso 1 1 calc R . .
C3 C 0.2617(18) 0.5623(5) -0.0255(17) 0.0669(19) Uani 1 1 d U . .
H3A H 0.2409 0.5426 -0.1045 0.080 Uiso 1 1 calc R . .
C4 C 0.2514(19) 0.5410(5) 0.0928(16) 0.0646(16) Uani 1 1 d U . .
C5 C 0.2839(18) 0.5676(5) 0.2138(16) 0.0629(15) Uani 1 1 d U . .
H5A H 0.2743 0.5510 0.2951 0.075 Uiso 1 1 calc R . .
C6 C 0.3320(17) 0.6205(5) 0.2116(15) 0.0594(15) Uani 1 1 d U . .
C7 C 0.3910(17) 0.6218(5) 0.4649(15) 0.0596(15) Uani 1 1 d U . .
H7A H 0.3656 0.5869 0.4796 0.072 Uiso 1 1 calc R . .
C8 C 0.4476(17) 0.6575(5) 0.5598(16) 0.0585(17) Uani 1 1 d U . .
H8A H 0.4695 0.6525 0.6532 0.070 Uiso 1 1 calc R . .
C9 C 0.4227(16) 0.6967(5) 0.3565(15) 0.0521(15) Uani 1 1 d U . .
C10 C 0.563(2) 0.7500 0.5524(19) 0.051(2) Uani 1 2 d SU . .
H10A H 0.6978 0.7500 0.5394 0.061 Uiso 1 2 calc SR . .
H10B H 0.5595 0.7500 0.6492 0.061 Uiso 1 2 calc SR . .
C11 C -0.0830(12) 0.6452(2) 0.4372(10) 0.0627(16) Uani 1 1 d GU . .
C12 C -0.0770(12) 0.6176(3) 0.5574(8) 0.0671(17) Uani 1 1 d GU . .
H12A H -0.0304 0.6334 0.6400 0.081 Uiso 1 1 calc R . .
C13 C -0.1408(13) 0.5665(3) 0.5543(8) 0.0714(19) Uani 1 1 d GU . .
H13A H -0.1368 0.5480 0.6347 0.086 Uiso 1 1 calc R . .
C14 C -0.2105(12) 0.5429(2) 0.4309(10) 0.0706(18) Uani 1 1 d GU . .
C15 C -0.2164(13) 0.5705(3) 0.3106(8) 0.0685(17) Uani 1 1 d GU . .
H15A H -0.2631 0.5547 0.2281 0.082 Uiso 1 1 calc R . .
C16 C -0.1527(13) 0.6217(3) 0.3138(8) 0.0634(15) Uani 1 1 d GU . .
C17 C -0.1851(19) 0.6225(6) 0.0582(17) 0.0665(16) Uani 1 1 d U . .
H17A H -0.2121 0.5875 0.0418 0.080 Uiso 1 1 calc R . .
C18 C -0.1721(18) 0.6562(5) -0.0334(17) 0.0664(17) Uani 1 1 d U . .
H18A H -0.1880 0.6507 -0.1266 0.080 Uiso 1 1 calc R . .
C19 C -0.1175(17) 0.6971(5) 0.1704(16) 0.0583(15) Uani 1 1 d U . .
C20 C -0.068(3) 0.7500 -0.030(2) 0.062(2) Uani 1 2 d SU . .
H20A H -0.1260 0.7500 -0.1249 0.074 Uiso 1 2 calc SR . .
H20B H 0.0723 0.7500 -0.0246 0.074 Uiso 1 2 calc SR . .
O1S O 0.453(3) 0.7500 -0.1547(18) 0.102(5) Uani 1 2 d SU . .
H1SA H 0.4625 0.7635 -0.0795 0.122 Uiso 0.50 1 calc PR . .
O2S O 0.087(5) 0.7500 0.701(4) 0.205(14) Uani 1 2 d SU . .
H2SA H 0.0298 0.7690 0.6421 0.246 Uiso 0.50 1 calc PR . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0258(3) 0.0293(3) 0.0254(3) 0.000 0.0051(2) 0.000
Pt2 0.0235(3) 0.0309(3) 0.0299(3) 0.000 0.0041(2) 0.000
F1 0.141(10) 0.051(5) 0.216(14) -0.055(7) 0.005(10) -0.025(6)
F2 0.154(9) 0.103(7) 0.225(10) 0.043(7) 0.044(8) -0.005(7)
O1 0.064(5) 0.056(5) 0.039(4) -0.016(4) 0.015(4) -0.008(4)
O2 0.061(5) 0.071(6) 0.056(5) 0.030(4) 0.012(4) 0.007(4)
N1 0.031(4) 0.026(4) 0.053(5) -0.003(3) 0.008(4) 0.001(3)
N2 0.032(4) 0.040(4) 0.031(4) 0.011(3) 0.007(3) 0.002(3)
N3 0.030(5) 0.036(5) 0.109(9) -0.028(5) 0.012(5) 0.001(4)
N4 0.033(5) 0.088(8) 0.040(5) -0.033(5) 0.000(4) 0.001(5)
C1 0.039(3) 0.049(3) 0.089(3) -0.008(3) 0.018(3) 0.004(3)
C2 0.045(3) 0.054(3) 0.090(4) -0.011(3) 0.016(3) 0.003(3)
C3 0.049(3) 0.056(3) 0.096(4) -0.017(3) 0.014(3) 0.001(3)
C4 0.048(3) 0.051(3) 0.096(4) -0.010(3) 0.015(3) 0.002(3)
C5 0.045(3) 0.051(3) 0.095(3) -0.004(3) 0.017(3) 0.004(2)
C6 0.041(3) 0.049(3) 0.090(3) -0.005(2) 0.017(3) 0.005(2)
C7 0.042(3) 0.048(3) 0.092(3) 0.004(3) 0.018(3) 0.005(2)
C8 0.041(3) 0.049(3) 0.088(4) 0.007(3) 0.017(3) 0.004(3)
C9 0.034(3) 0.043(3) 0.083(3) 0.000(3) 0.022(3) 0.002(2)
C10 0.035(4) 0.045(4) 0.075(5) 0.000 0.017(4) 0.000
C11 0.041(3) 0.054(3) 0.096(3) 0.007(3) 0.021(3) 0.006(3)
C12 0.047(3) 0.057(3) 0.099(4) 0.009(3) 0.018(3) 0.007(3)
C13 0.051(3) 0.060(4) 0.106(4) 0.016(3) 0.020(3) 0.009(3)
C14 0.051(3) 0.056(3) 0.108(4) 0.010(3) 0.020(3) 0.006(3)
C15 0.048(3) 0.055(3) 0.104(4) 0.002(3) 0.017(3) 0.006(3)
C16 0.043(3) 0.051(3) 0.098(3) 0.002(3) 0.018(3) 0.007(2)
C17 0.047(3) 0.056(3) 0.098(3) -0.010(3) 0.016(3) 0.004(3)
C18 0.046(3) 0.059(3) 0.095(4) -0.013(3) 0.014(3) 0.006(3)
C19 0.039(3) 0.049(3) 0.090(3) -0.005(3) 0.019(3) 0.005(2)
C20 0.042(4) 0.057(4) 0.090(4) 0.000 0.018(4) 0.000
O1S 0.101(9) 0.130(9) 0.077(8) 0.000 0.023(7) 0.000
O2S 0.198(16) 0.222(16) 0.192(16) 0.000 0.027(9) 0.000
_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 C9 1.911(13) 4_575 ?
Pt1 C9 1.911(13) . ?
Pt1 O1 2.026(7) . ?
Pt1 O1 2.026(7) 4_575 ?
Pt2 C19 1.905(14) . ?
Pt2 C19 1.905(14) 4_575 ?
Pt2 O2 2.034(8) 4_575 ?
Pt2 O2 2.034(8) . ?
F1 C4 1.381(16) . ?
F2 C14 1.354(14) . ?
O1 C1 1.324(15) . ?
O2 C11 1.349(11) . ?
N1 C9 1.338(14) . ?
N1 C7 1.386(17) . ?
N1 C6 1.437(16) . ?
N2 C9 1.350(16) . ?
N2 C8 1.382(15) . ?
N2 C10 1.453(13) . ?
N3 C19 1.366(16) . ?
N3 C16 1.397(15) . ?
N3 C17 1.412(19) . ?
N4 C19 1.345(18) . ?
N4 C18 1.421(17) . ?
N4 C20 1.450(16) . ?
C1 C6 1.39(2) . ?
C1 C2 1.41(2) . ?
C2 C3 1.401(19) . ?
C2 H2A 0.9300 . ?
C3 C4 1.31(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.38(2) . ?
C5 C6 1.404(19) . ?
C5 H5A 0.9300 . ?
C7 C8 1.335(19) . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9300 . ?
C10 N2 1.453(13) 4_575 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C12 H12A 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13A 0.9300 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15A 0.9300 . ?
C17 C18 1.27(2) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C20 N4 1.450(16) 4_575 ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
O1S H1SA 0.8200 . ?
O2S H2SA 0.8200 . ?
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
C9 Pt1 C9 91.8(8) 4_575 . ?
C9 Pt1 O1 175.8(4) 4_575 . ?
C9 Pt1 O1 90.0(5) . . ?
C9 Pt1 O1 90.0(5) 4_575 4_575 ?
C9 Pt1 O1 175.8(4) . 4_575 ?
O1 Pt1 O1 88.0(5) . 4_575 ?
C19 Pt2 C19 91.3(9) . 4_575 ?
C19 Pt2 O2 177.2(5) . 4_575 ?
C19 Pt2 O2 90.2(6) 4_575 4_575 ?
C19 Pt2 O2 90.2(6) . . ?
C19 Pt2 O2 177.2(5) 4_575 . ?
O2 Pt2 O2 88.1(6) 4_575 . ?
C1 O1 Pt1 126.2(8) . . ?
C11 O2 Pt2 124.7(7) . . ?
C9 N1 C7 110.7(11) . . ?
C9 N1 C6 124.8(11) . . ?
C7 N1 C6 124.3(10) . . ?
C9 N2 C8 110.8(10) . . ?
C9 N2 C10 122.7(10) . . ?
C8 N2 C10 125.3(11) . . ?
C19 N3 C16 124.8(11) . . ?
C19 N3 C17 107.2(13) . . ?
C16 N3 C17 128.0(10) . . ?
C19 N4 C18 110.2(12) . . ?
C19 N4 C20 125.9(12) . . ?
C18 N4 C20 122.9(12) . . ?
O1 C1 C6 125.9(13) . . ?
O1 C1 C2 116.8(13) . . ?
C6 C1 C2 117.3(12) . . ?
C3 C2 C1 121.3(15) . . ?
C3 C2 H2A 119.3 . . ?
C1 C2 H2A 119.3 . . ?
C4 C3 C2 118.7(14) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 123.6(13) . . ?
C3 C4 F1 119.2(15) . . ?
C5 C4 F1 117.2(15) . . ?
C4 C5 C6 118.5(14) . . ?
C4 C5 H5A 120.7 . . ?
C6 C5 H5A 120.7 . . ?
C1 C6 C5 120.5(14) . . ?
C1 C6 N1 122.4(12) . . ?
C5 C6 N1 117.1(13) . . ?
C8 C7 N1 106.9(11) . . ?
C8 C7 H7A 126.5 . . ?
N1 C7 H7A 126.5 . . ?
C7 C8 N2 106.5(13) . . ?
C7 C8 H8A 126.7 . . ?
N2 C8 H8A 126.7 . . ?
N1 C9 N2 105.0(11) . . ?
N1 C9 Pt1 128.9(10) . . ?
N2 C9 Pt1 126.0(9) . . ?
N2 C10 N2 111.0(13) . 4_575 ?
N2 C10 H10A 109.4 . . ?
N2 C10 H10A 109.4 4_575 . ?
N2 C10 H10B 109.4 . . ?
N2 C10 H10B 109.4 4_575 . ?
H10A C10 H10B 108.0 . . ?
O2 C11 C12 114.8(7) . . ?
O2 C11 C16 125.2(7) . . ?
C12 C11 C16 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12A 120.0 . . ?
C13 C12 H12A 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
F2 C14 C13 119.7(10) . . ?
F2 C14 C15 120.2(10) . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C11 120.0 . . ?
C15 C16 N3 116.3(7) . . ?
C11 C16 N3 123.6(7) . . ?
C18 C17 N3 110.6(13) . . ?
C18 C17 H17A 124.7 . . ?
N3 C17 H17A 124.7 . . ?
C17 C18 N4 106.0(14) . . ?
C17 C18 H18A 127.0 . . ?
N4 C18 H18A 127.0 . . ?
N4 C19 N3 106.0(12) . . ?
N4 C19 Pt2 125.7(10) . . ?
N3 C19 Pt2 128.3(12) . . ?
N4 C20 N4 109.7(15) . 4_575 ?
N4 C20 H20A 109.7 . . ?
N4 C20 H20A 109.7 4_575 . ?
N4 C20 H20B 109.7 . . ?
N4 C20 H20B 109.7 4_575 . ?
H20A C20 H20B 108.2 . . ?
_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        66.07
_diffrn_measured_fraction_theta_full 0.975
_refine_diff_density_max         2.079
_refine_diff_density_min         -1.906
_refine_diff_density_rms         0.260


data_likai1
_database_code_depnum_ccdc_archive 'CCDC 907133'
#TrackingRef 'web_deposit_cif_file_1_WeiLu_1350907434.2-F.CIF'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H12 F2 N4 O2 Pt, C H2 Cl2'
_chemical_formula_sum            'C20 H14 Cl2 F2 N4 O2 Pt'
_chemical_formula_weight         646.34
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
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                   11.5589(9)
_cell_length_b                   8.2655(7)
_cell_length_c                   22.3063(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.907(4)
_cell_angle_gamma                90.00
_cell_volume                     1977.3(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1232
_exptl_absorpt_coefficient_mu    16.181
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_process_details   SADABS
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Proteum CCD'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13974
_diffrn_reflns_av_R_equivalents  0.0535
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         4.12
_diffrn_reflns_theta_max         65.93
_reflns_number_total             3345
_reflns_number_gt                2825
_reflns_threshold_expression     I>2\s(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.1951P)^2^+3.2328P] where P=(Fo^2^+2Fc^2^)/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         3345
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0744
_refine_ls_wR_factor_ref         0.2377
_refine_ls_wR_factor_gt          0.2267
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.58196(4) 0.13046(6) 0.46542(2) 0.0409(3) Uani 1 1 d . . .
F1 F 0.0250(8) 0.5380(15) 0.3079(5) 0.104(3) Uani 1 1 d . . .
F2 F 1.0940(10) -0.3529(12) 0.5010(7) 0.089(3) Uani 1 1 d . . .
O1 O 0.4510(9) 0.1835(13) 0.3768(4) 0.059(2) Uani 1 1 d . . .
O2 O 0.6617(8) 0.0004(12) 0.4150(3) 0.058(2) Uani 1 1 d . . .
N1 N 0.3893(10) 0.3452(12) 0.4787(6) 0.044(2) Uani 1 1 d . . .
N2 N 0.5316(8) 0.2887(11) 0.5712(4) 0.044(2) Uani 1 1 d . . .
N3 N 0.7237(10) 0.1311(11) 0.6056(5) 0.045(2) Uani 1 1 d . . .
N4 N 0.8180(8) -0.0086(12) 0.5558(4) 0.045(2) Uani 1 1 d . . .
C1 C 0.3524(10) 0.2716(14) 0.3654(5) 0.046(3) Uani 1 1 d . . .
C2 C 0.2735(12) 0.2863(18) 0.3018(6) 0.062(3) Uani 1 1 d . . .
H2A H 0.2963 0.2317 0.2704 0.074 Uiso 1 1 calc R . .
C3 C 0.1633(16) 0.3743(15) 0.2797(8) 0.066(4) Uani 1 1 d . . .
H3A H 0.1113 0.3808 0.2352 0.079 Uiso 1 1 calc R . .
C4 C 0.1353(12) 0.4512(18) 0.3272(7) 0.065(4) Uani 1 1 d . . .
C5 C 0.2060(12) 0.4441(16) 0.3909(7) 0.056(3) Uani 1 1 d . . .
H5A H 0.1806 0.5006 0.4210 0.068 Uiso 1 1 calc R . .
C6 C 0.3166(12) 0.3538(14) 0.4127(6) 0.047(3) Uani 1 1 d . . .
C7 C 0.4983(10) 0.2591(14) 0.5086(5) 0.041(2) Uani 1 1 d . . .
C8 C 0.3599(11) 0.4264(16) 0.5281(6) 0.050(3) Uani 1 1 d . . .
H8A H 0.2901 0.4943 0.5220 0.060 Uiso 1 1 calc R . .
C9 C 0.4493(17) 0.3881(16) 0.5842(10) 0.063(4) Uani 1 1 d . . .
H9A H 0.4551 0.4234 0.6257 0.075 Uiso 1 1 calc R . .
C10 C 0.6259(12) 0.2008(16) 0.6224(5) 0.054(3) Uani 1 1 d . . .
H10A H 0.6641 0.2751 0.6594 0.064 Uiso 1 1 calc R . .
H10B H 0.5846 0.1129 0.6372 0.064 Uiso 1 1 calc R . .
C11 C 0.7146(11) 0.0793(16) 0.5468(6) 0.046(3) Uani 1 1 d . . .
C12 C 0.8316(13) 0.0679(19) 0.6512(7) 0.062(3) Uani 1 1 d . . .
H12A H 0.8577 0.0790 0.6967 0.074 Uiso 1 1 calc R . .
C13 C 0.8912(12) -0.0098(17) 0.6205(6) 0.060(3) Uani 1 1 d . . .
H13A H 0.9711 -0.0584 0.6396 0.072 Uiso 1 1 calc R . .
C14 C 0.7695(12) -0.0786(16) 0.4422(7) 0.053(3) Uani 1 1 d . . .
C15 C 0.8469(12) -0.0937(15) 0.5059(6) 0.045(3) Uani 1 1 d . . .
C16 C 0.9558(12) -0.1859(18) 0.5258(7) 0.059(3) Uani 1 1 d . . .
H16A H 1.0080 -0.1930 0.5702 0.071 Uiso 1 1 calc R . .
C17 C 0.9856(12) -0.2661(18) 0.4799(7) 0.063(4) Uani 1 1 d . . .
C18 C 0.9132(13) -0.2641(17) 0.4166(7) 0.067(4) Uani 1 1 d . . .
H18A H 0.9335 -0.3275 0.3863 0.081 Uiso 1 1 calc R . .
C19 C 0.8093(14) -0.1676(17) 0.3972(6) 0.058(3) Uani 1 1 d . . .
H19A H 0.7612 -0.1586 0.3523 0.069 Uiso 1 1 calc R . .
Cl1 Cl 0.4408(9) 0.9111(9) 0.2356(3) 0.146(3) Uani 1 1 d . . .
Cl2 Cl 0.2136(7) 0.7343(17) 0.1966(3) 0.198(5) Uani 1 1 d . . .
C20 C 0.330(2) 0.791(3) 0.1751(10) 0.121(8) Uani 1 1 d . . .
H20A H 0.2967 0.8541 0.1344 0.146 Uiso 1 1 calc R . .
H20B H 0.3723 0.6942 0.1669 0.146 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0416(4) 0.0520(5) 0.0300(4) 0.00019(15) 0.0145(3) 0.00255(17)
F1 0.066(5) 0.146(9) 0.080(6) -0.003(6) 0.004(5) 0.050(6)
F2 0.068(6) 0.095(7) 0.107(9) 0.005(5) 0.035(6) 0.032(5)
O1 0.066(6) 0.081(6) 0.032(4) 0.008(4) 0.019(4) 0.022(5)
O2 0.058(5) 0.086(6) 0.033(4) -0.002(4) 0.019(4) 0.030(5)
N1 0.044(6) 0.049(5) 0.046(6) -0.016(4) 0.025(5) -0.007(4)
N2 0.047(5) 0.056(6) 0.032(5) -0.008(4) 0.019(4) -0.004(4)
N3 0.038(5) 0.056(7) 0.036(6) 0.000(4) 0.010(5) 0.000(4)
N4 0.041(5) 0.053(6) 0.041(5) -0.001(4) 0.014(4) -0.002(4)
C1 0.047(6) 0.050(7) 0.039(6) 0.001(5) 0.015(5) -0.007(5)
C2 0.061(7) 0.082(10) 0.043(7) 0.006(6) 0.021(6) 0.017(7)
C3 0.057(9) 0.084(11) 0.052(9) 0.003(6) 0.016(8) 0.011(6)
C4 0.050(7) 0.074(9) 0.060(8) -0.006(7) 0.007(7) 0.009(7)
C5 0.047(6) 0.055(8) 0.067(9) -0.001(6) 0.022(6) 0.010(6)
C6 0.042(6) 0.064(8) 0.032(6) -0.006(5) 0.010(5) -0.017(5)
C7 0.046(5) 0.049(6) 0.031(5) -0.002(4) 0.019(5) -0.002(5)
C8 0.044(6) 0.066(8) 0.036(6) -0.018(6) 0.011(5) 0.000(6)
C9 0.060(9) 0.079(10) 0.061(11) -0.013(6) 0.036(9) -0.012(6)
C10 0.067(8) 0.064(8) 0.034(6) -0.003(5) 0.024(6) 0.000(6)
C11 0.045(6) 0.053(6) 0.037(6) 0.003(5) 0.014(5) -0.011(6)
C12 0.054(7) 0.079(9) 0.046(7) 0.005(7) 0.012(6) 0.005(7)
C13 0.050(7) 0.078(9) 0.045(7) 0.000(6) 0.011(6) -0.006(6)
C14 0.052(7) 0.052(7) 0.064(8) -0.013(6) 0.032(7) -0.003(6)
C15 0.041(6) 0.055(7) 0.038(6) 0.001(5) 0.014(5) -0.006(5)
C16 0.044(7) 0.062(8) 0.070(9) 0.016(7) 0.021(7) 0.012(6)
C17 0.049(7) 0.066(9) 0.082(11) 0.001(7) 0.032(8) 0.011(6)
C18 0.070(8) 0.063(8) 0.086(11) -0.003(7) 0.049(9) 0.007(7)
C19 0.067(8) 0.078(8) 0.036(6) -0.010(6) 0.029(6) 0.008(7)
Cl1 0.197(7) 0.177(5) 0.094(4) -0.046(4) 0.090(5) -0.091(5)
Cl2 0.131(5) 0.382(14) 0.099(4) -0.096(7) 0.063(4) -0.121(8)
C20 0.16(2) 0.15(2) 0.085(14) -0.045(14) 0.083(15) -0.051(18)
_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 C7 1.920(10) . ?
Pt1 C11 1.935(12) . ?
Pt1 O2 2.011(7) . ?
Pt1 O1 2.040(9) . ?
F1 C4 1.385(15) . ?
F2 C17 1.366(15) . ?
O1 C1 1.295(14) . ?
O2 C14 1.335(15) . ?
N1 C7 1.382(16) . ?
N1 C6 1.399(17) . ?
N1 C8 1.436(15) . ?
N2 C7 1.327(13) . ?
N2 C9 1.366(18) . ?
N2 C10 1.446(15) . ?
N3 C11 1.346(17) . ?
N3 C12 1.385(17) . ?
N3 C10 1.439(16) . ?
N4 C11 1.348(16) . ?
N4 C13 1.374(15) . ?
N4 C15 1.457(15) . ?
C1 C2 1.375(17) . ?
C1 C6 1.440(17) . ?
C2 C3 1.388(19) . ?
C2 H2A 0.9500 . ?
C3 C4 1.37(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.351(19) . ?
C5 C6 1.401(18) . ?
C5 H5A 0.9500 . ?
C8 C9 1.33(2) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 C13 1.307(19) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.37(2) . ?
C14 C19 1.451(16) . ?
C15 C16 1.395(19) . ?
C16 C17 1.37(2) . ?
C16 H16A 0.9500 . ?
C17 C18 1.346(19) . ?
C18 C19 1.370(19) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
Cl1 C20 1.77(2) . ?
Cl2 C20 1.66(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
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
C7 Pt1 C11 91.3(5) . . ?
C7 Pt1 O2 176.5(4) . . ?
C11 Pt1 O2 92.2(4) . . ?
C7 Pt1 O1 92.1(4) . . ?
C11 Pt1 O1 176.1(4) . . ?
O2 Pt1 O1 84.4(3) . . ?
C1 O1 Pt1 126.3(7) . . ?
C14 O2 Pt1 123.5(7) . . ?
C7 N1 C6 128.0(10) . . ?
C7 N1 C8 107.8(10) . . ?
C6 N1 C8 124.2(11) . . ?
C7 N2 C9 112.5(12) . . ?
C7 N2 C10 125.2(10) . . ?
C9 N2 C10 121.0(11) . . ?
C11 N3 C12 108.5(11) . . ?
C11 N3 C10 126.8(11) . . ?
C12 N3 C10 122.6(11) . . ?
C11 N4 C13 109.0(10) . . ?
C11 N4 C15 126.1(10) . . ?
C13 N4 C15 124.9(10) . . ?
O1 C1 C2 116.7(11) . . ?
O1 C1 C6 126.4(11) . . ?
C2 C1 C6 116.9(11) . . ?
C1 C2 C3 125.5(12) . . ?
C1 C2 H2A 117.3 . . ?
C3 C2 H2A 117.3 . . ?
C4 C3 C2 114.7(14) . . ?
C4 C3 H3A 122.7 . . ?
C2 C3 H3A 122.7 . . ?
C5 C4 C3 124.6(13) . . ?
C5 C4 F1 118.2(12) . . ?
C3 C4 F1 117.1(12) . . ?
C4 C5 C6 120.2(12) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
N1 C6 C5 120.3(12) . . ?
N1 C6 C1 121.6(11) . . ?
C5 C6 C1 118.1(11) . . ?
N2 C7 N1 105.5(9) . . ?
N2 C7 Pt1 128.9(9) . . ?
N1 C7 Pt1 125.6(8) . . ?
C9 C8 N1 106.6(12) . . ?
C9 C8 H8A 126.7 . . ?
N1 C8 H8A 126.7 . . ?
C8 C9 N2 107.7(14) . . ?
C8 C9 H9A 126.2 . . ?
N2 C9 H9A 126.2 . . ?
N3 C10 N2 115.4(9) . . ?
N3 C10 H10A 108.4 . . ?
N2 C10 H10A 108.4 . . ?
N3 C10 H10B 108.4 . . ?
N2 C10 H10B 108.4 . . ?
H10A C10 H10B 107.5 . . ?
N3 C11 N4 106.4(10) . . ?
N3 C11 Pt1 126.2(10) . . ?
N4 C11 Pt1 127.3(9) . . ?
C13 C12 N3 107.9(12) . . ?
C13 C12 H12A 126.1 . . ?
N3 C12 H12A 126.1 . . ?
C12 C13 N4 107.9(12) . . ?
C12 C13 H13A 126.0 . . ?
N4 C13 H13A 126.0 . . ?
O2 C14 C15 130.6(11) . . ?
O2 C14 C19 114.6(12) . . ?
C15 C14 C19 114.7(12) . . ?
C14 C15 C16 122.7(12) . . ?
C14 C15 N4 120.0(11) . . ?
C16 C15 N4 117.2(11) . . ?
C17 C16 C15 118.4(13) . . ?
C17 C16 H16A 120.8 . . ?
C15 C16 H16A 120.8 . . ?
C18 C17 F2 120.0(12) . . ?
C18 C17 C16 123.2(12) . . ?
F2 C17 C16 116.8(13) . . ?
C17 C18 C19 117.8(12) . . ?
C17 C18 H18A 121.1 . . ?
C19 C18 H18A 121.1 . . ?
C18 C19 C14 122.9(13) . . ?
C18 C19 H19A 118.6 . . ?
C14 C19 H19A 118.6 . . ?
Cl2 C20 Cl1 111.8(10) . . ?
Cl2 C20 H20A 109.3 . . ?
Cl1 C20 H20A 109.3 . . ?
Cl2 C20 H20B 109.3 . . ?
Cl1 C20 H20B 109.3 . . ?
H20A C20 H20B 107.9 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 Pt1 O1 C1 -1.6(11) . . . . ?
C11 Pt1 O1 C1 -150(6) . . . . ?
O2 Pt1 O1 C1 178.7(11) . . . . ?
C7 Pt1 O2 C14 173(7) . . . . ?
C11 Pt1 O2 C14 -0.5(10) . . . . ?
O1 Pt1 O2 C14 177.4(10) . . . . ?
Pt1 O1 C1 C2 -177.4(9) . . . . ?
Pt1 O1 C1 C6 1.7(18) . . . . ?
O1 C1 C2 C3 179.7(14) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C1 C2 C3 C4 0(2) . . . . ?
C2 C3 C4 C5 -1(2) . . . . ?
C2 C3 C4 F1 -178.7(14) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
F1 C4 C5 C6 178.2(13) . . . . ?
C7 N1 C6 C5 178.2(12) . . . . ?
C8 N1 C6 C5 -1.0(18) . . . . ?
C7 N1 C6 C1 -2.0(18) . . . . ?
C8 N1 C6 C1 178.9(11) . . . . ?
C4 C5 C6 N1 -179.4(12) . . . . ?
C4 C5 C6 C1 0.7(19) . . . . ?
O1 C1 C6 N1 0.1(18) . . . . ?
C2 C1 C6 N1 179.2(11) . . . . ?
O1 C1 C6 C5 179.9(12) . . . . ?
C2 C1 C6 C5 -1.0(17) . . . . ?
C9 N2 C7 N1 0.7(14) . . . . ?
C10 N2 C7 N1 167.3(10) . . . . ?
C9 N2 C7 Pt1 179.2(9) . . . . ?
C10 N2 C7 Pt1 -14.3(17) . . . . ?
C6 N1 C7 N2 -179.7(11) . . . . ?
C8 N1 C7 N2 -0.5(13) . . . . ?
C6 N1 C7 Pt1 1.7(17) . . . . ?
C8 N1 C7 Pt1 -179.0(9) . . . . ?
C11 Pt1 C7 N2 -0.3(11) . . . . ?
O2 Pt1 C7 N2 -174(6) . . . . ?
O1 Pt1 C7 N2 -178.2(11) . . . . ?
C11 Pt1 C7 N1 177.9(10) . . . . ?
O2 Pt1 C7 N1 4(8) . . . . ?
O1 Pt1 C7 N1 -0.1(10) . . . . ?
C7 N1 C8 C9 0.1(13) . . . . ?
C6 N1 C8 C9 179.4(12) . . . . ?
N1 C8 C9 N2 0.3(14) . . . . ?
C7 N2 C9 C8 -0.6(16) . . . . ?
C10 N2 C9 C8 -167.8(11) . . . . ?
C11 N3 C10 N2 -29.6(17) . . . . ?
C12 N3 C10 N2 168.5(12) . . . . ?
C7 N2 C10 N3 28.4(17) . . . . ?
C9 N2 C10 N3 -166.1(11) . . . . ?
C12 N3 C11 N4 -2.5(14) . . . . ?
C10 N3 C11 N4 -166.4(11) . . . . ?
C12 N3 C11 Pt1 180.0(9) . . . . ?
C10 N3 C11 Pt1 16.0(17) . . . . ?
C13 N4 C11 N3 -0.4(13) . . . . ?
C15 N4 C11 N3 177.8(10) . . . . ?
C13 N4 C11 Pt1 177.1(9) . . . . ?
C15 N4 C11 Pt1 -4.7(16) . . . . ?
C7 Pt1 C11 N3 -0.3(11) . . . . ?
O2 Pt1 C11 N3 179.3(10) . . . . ?
O1 Pt1 C11 N3 148(6) . . . . ?
C7 Pt1 C11 N4 -177.4(11) . . . . ?
O2 Pt1 C11 N4 2.2(11) . . . . ?
O1 Pt1 C11 N4 -29(7) . . . . ?
C11 N3 C12 C13 4.7(16) . . . . ?
C10 N3 C12 C13 169.4(12) . . . . ?
N3 C12 C13 N4 -4.8(16) . . . . ?
C11 N4 C13 C12 3.4(15) . . . . ?
C15 N4 C13 C12 -174.9(12) . . . . ?
Pt1 O2 C14 C15 1(2) . . . . ?
Pt1 O2 C14 C19 178.9(9) . . . . ?
O2 C14 C15 C16 178.2(13) . . . . ?
C19 C14 C15 C16 1(2) . . . . ?
O2 C14 C15 N4 -3(2) . . . . ?
C19 C14 C15 N4 179.3(11) . . . . ?
C11 N4 C15 C14 4.8(18) . . . . ?
C13 N4 C15 C14 -177.2(12) . . . . ?
C11 N4 C15 C16 -176.4(12) . . . . ?
C13 N4 C15 C16 1.6(18) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
N4 C15 C16 C17 -179.6(12) . . . . ?
C15 C16 C17 C18 -2(2) . . . . ?
C15 C16 C17 F2 178.9(13) . . . . ?
F2 C17 C18 C19 -176.1(13) . . . . ?
C16 C17 C18 C19 5(2) . . . . ?
C17 C18 C19 C14 -5(2) . . . . ?
O2 C14 C19 C18 -175.7(13) . . . . ?
C15 C14 C19 C18 2(2) . . . . ?
_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        65.93
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         3.929
_refine_diff_density_min         -2.074
_refine_diff_density_rms         0.339