# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_s3660a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H26 Cl N3 Pt'
_chemical_formula_sum            'C20 H26 Cl N3 Pt'
_chemical_formula_weight         538.98

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'
Cl Cl 0.1484 0.1585 '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'
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   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   18.2341(6)
_cell_length_b                   8.9441(5)
_cell_length_c                   11.9240(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.965(2)
_cell_angle_gamma                90.00
_cell_volume                     1934.13(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    27252
_cell_measurement_theta_min      1.95
_cell_measurement_theta_max      27.50

_exptl_crystal_description       'triangular prism'
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.851
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1048
_exptl_absorpt_coefficient_mu    7.400
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_T_max  0.51
_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  'Nonius KappaCCD'
_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            41054
_diffrn_reflns_av_R_equivalents  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0111
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4438
_reflns_number_gt                4063
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       Peakref
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0085P)²+1.2868P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00097(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4438
_refine_ls_number_parameters     233
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0148
_refine_ls_R_factor_gt           0.0112
_refine_ls_wR_factor_ref         0.0239
_refine_ls_wR_factor_gt          0.0229
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.006
_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 0.127848(3) 0.459600(7) 0.394157(5) 0.01283(2) Uani 1 1 d . . .
Cl1 Cl 0.02797(2) 0.47982(5) 0.24562(3) 0.01926(9) Uani 1 1 d . . .
N1 N 0.19278(8) 0.63192(17) 0.33871(11) 0.0177(3) Uani 1 1 d . . .
N2 N 0.08638(8) 0.28629(16) 0.48625(11) 0.0144(3) Uani 1 1 d . . .
N3 N 0.33469(9) 0.44330(17) 0.90596(12) 0.0217(3) Uani 1 1 d . . .
C1 C 0.20254(9) 0.46107(19) 0.51941(14) 0.0151(3) Uani 1 1 d . . .
C2 C 0.26536(9) 0.54784(19) 0.51502(14) 0.0163(3) Uani 1 1 d . . .
C3 C 0.31551(9) 0.56027(19) 0.61132(14) 0.0177(3) Uani 1 1 d . . .
H3 H 0.3583 0.6207 0.6103 0.021 Uiso 1 1 calc R . .
C4 C 0.30225(9) 0.48268(19) 0.70986(14) 0.0166(3) Uani 1 1 d . . .
C5 C 0.23862(9) 0.39313(19) 0.71176(14) 0.0163(3) Uani 1 1 d . . .
H5 H 0.2305 0.3388 0.7778 0.020 Uiso 1 1 calc R . .
C6 C 0.18833(9) 0.38498(19) 0.61734(13) 0.0153(3) Uani 1 1 d . . .
C7 C 0.26973(9) 0.6176(2) 0.40054(14) 0.0202(4) Uani 1 1 d . . .
H7A H 0.3007 0.5548 0.3560 0.024 Uiso 1 1 calc R . .
H7B H 0.2928 0.7177 0.4096 0.024 Uiso 1 1 calc R . .
C8 C 0.16058(11) 0.7774(2) 0.36915(17) 0.0255(4) Uani 1 1 d . . .
H8A H 0.1910 0.8594 0.3450 0.038 Uiso 1 1 calc R . .
H8B H 0.1592 0.7822 0.4510 0.038 Uiso 1 1 calc R . .
H8C H 0.1104 0.7864 0.3315 0.038 Uiso 1 1 calc R . .
C9 C 0.19839(11) 0.6307(2) 0.21518(14) 0.0273(4) Uani 1 1 d . . .
H9A H 0.1492 0.6435 0.1747 0.041 Uiso 1 1 calc R . .
H9B H 0.2192 0.5351 0.1937 0.041 Uiso 1 1 calc R . .
H9C H 0.2305 0.7125 0.1957 0.041 Uiso 1 1 calc R . .
C10 C 0.11360(9) 0.3129(2) 0.60956(13) 0.0167(3) Uani 1 1 d . . .
H10A H 0.0786 0.3785 0.6444 0.020 Uiso 1 1 calc R . .
H10B H 0.1167 0.2166 0.6507 0.020 Uiso 1 1 calc R . .
C11 C 0.11782(10) 0.14239(19) 0.45063(15) 0.0197(4) Uani 1 1 d . . .
H11A H 0.1000 0.0604 0.4952 0.029 Uiso 1 1 calc R . .
H11B H 0.1718 0.1468 0.4628 0.029 Uiso 1 1 calc R . .
H11C H 0.1023 0.1252 0.3705 0.029 Uiso 1 1 calc R . .
C12 C 0.00475(9) 0.2709(2) 0.47633(15) 0.0194(4) Uani 1 1 d . . .
H12A H -0.0136 0.2488 0.3979 0.029 Uiso 1 1 calc R . .
H12B H -0.0172 0.3644 0.4996 0.029 Uiso 1 1 calc R . .
H12C H -0.0088 0.1892 0.5250 0.029 Uiso 1 1 calc R . .
C13 C 0.35082(10) 0.5030(2) 0.81476(15) 0.0187(4) Uani 1 1 d . . .
H13 H 0.3945 0.5610 0.8146 0.022 Uiso 1 1 calc R . .
C14 C 0.37504(10) 0.4694(2) 1.01212(14) 0.0190(4) Uani 1 1 d . . .
C15 C 0.42391(11) 0.5869(2) 1.03842(16) 0.0247(4) Uani 1 1 d . . .
H15 H 0.4353 0.6541 0.9810 0.030 Uiso 1 1 calc R . .
C16 C 0.45606(11) 0.6063(2) 1.14825(16) 0.0269(4) Uani 1 1 d . . .
H16 H 0.4894 0.6869 1.1647 0.032 Uiso 1 1 calc R . .
C17 C 0.44061(10) 0.5110(2) 1.23439(15) 0.0226(4) Uani 1 1 d . . .
C18 C 0.39257(11) 0.3923(2) 1.20740(15) 0.0261(4) Uani 1 1 d . . .
H18 H 0.3818 0.3243 1.2647 0.031 Uiso 1 1 calc R . .
C19 C 0.36019(10) 0.3719(2) 1.09800(15) 0.0244(4) Uani 1 1 d . . .
H19 H 0.3275 0.2904 1.0814 0.029 Uiso 1 1 calc R . .
C20 C 0.47383(12) 0.5362(3) 1.35470(16) 0.0321(5) Uani 1 1 d . . .
H20A H 0.5251 0.5688 1.3548 0.048 Uiso 0.52(4) 1 calc PR A 1
H20B H 0.4722 0.4427 1.3973 0.048 Uiso 0.52(4) 1 calc PR A 1
H20C H 0.4456 0.6132 1.3898 0.048 Uiso 0.52(4) 1 calc PR A 1
H20D H 0.4993 0.6328 1.3601 0.048 Uiso 0.48(4) 1 calc PR A 2
H20E H 0.5091 0.4561 1.3769 0.048 Uiso 0.48(4) 1 calc PR A 2
H20F H 0.4346 0.5359 1.4050 0.048 Uiso 0.48(4) 1 calc PR A 2


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C1 1.9139(16) . ?
Pt1 N2 2.0865(14) . ?
Pt1 N1 2.0922(14) . ?
Pt1 Cl1 2.4116(4) . ?
N1 C9 1.487(2) . ?
N1 C8 1.488(2) . ?
N1 C7 1.521(2) . ?
N2 C12 1.487(2) . ?
N2 C11 1.489(2) . ?
N2 C10 1.521(2) . ?
N3 C13 1.273(2) . ?
N3 C14 1.416(2) . ?
C1 C2 1.389(2) . ?
C1 C6 1.399(2) . ?
C2 C3 1.396(2) . ?
C2 C7 1.511(2) . ?
C3 C4 1.407(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.412(2) . ?
C4 C13 1.467(2) . ?
C5 C6 1.378(2) . ?
C5 H5 0.9500 . ?
C6 C10 1.502(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C14 C15 1.392(3) . ?
C14 C19 1.393(3) . ?
C15 C16 1.389(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(3) . ?
C17 C20 1.515(2) . ?
C18 C19 1.387(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C20 H20D 0.9800 . ?
C20 H20E 0.9800 . ?
C20 H20F 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
C1 Pt1 N2 82.06(6) . . ?
C1 Pt1 N1 82.03(6) . . ?
N2 Pt1 N1 164.07(5) . . ?
C1 Pt1 Cl1 173.95(5) . . ?
N2 Pt1 Cl1 98.91(4) . . ?
N1 Pt1 Cl1 96.99(4) . . ?
C9 N1 C8 108.53(15) . . ?
C9 N1 C7 108.93(13) . . ?
C8 N1 C7 108.83(14) . . ?
C9 N1 Pt1 114.01(11) . . ?
C8 N1 Pt1 108.45(11) . . ?
C7 N1 Pt1 107.98(10) . . ?
C12 N2 C11 108.00(13) . . ?
C12 N2 C10 108.35(12) . . ?
C11 N2 C10 108.32(13) . . ?
C12 N2 Pt1 116.20(10) . . ?
C11 N2 Pt1 108.71(10) . . ?
C10 N2 Pt1 107.04(10) . . ?
C13 N3 C14 123.35(16) . . ?
C2 C1 C6 121.89(15) . . ?
C2 C1 Pt1 119.81(12) . . ?
C6 C1 Pt1 118.01(12) . . ?
C1 C2 C3 119.06(15) . . ?
C1 C2 C7 112.71(15) . . ?
C3 C2 C7 128.23(15) . . ?
C2 C3 C4 119.53(16) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 120.39(15) . . ?
C3 C4 C13 120.66(16) . . ?
C5 C4 C13 118.75(15) . . ?
C6 C5 C4 119.68(15) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 119.40(16) . . ?
C5 C6 C10 126.57(15) . . ?
C1 C6 C10 113.76(14) . . ?
C2 C7 N1 109.88(13) . . ?
C2 C7 H7A 109.7 . . ?
N1 C7 H7A 109.7 . . ?
C2 C7 H7B 109.7 . . ?
N1 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 N2 109.26(13) . . ?
C6 C10 H10A 109.8 . . ?
N2 C10 H10A 109.8 . . ?
C6 C10 H10B 109.8 . . ?
N2 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C4 120.25(16) . . ?
N3 C13 H13 119.9 . . ?
C4 C13 H13 119.9 . . ?
C15 C14 C19 118.41(16) . . ?
C15 C14 N3 125.94(16) . . ?
C19 C14 N3 115.54(16) . . ?
C16 C15 C14 120.28(18) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 121.56(18) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C16 C17 C18 117.98(17) . . ?
C16 C17 C20 121.20(18) . . ?
C18 C17 C20 120.81(18) . . ?
C19 C18 C17 120.89(18) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C14 120.86(18) . . ?
C18 C19 H19 119.6 . . ?
C14 C19 H19 119.6 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
C17 C20 H20D 109.5 . . ?
C17 C20 H20E 109.5 . . ?
H20D C20 H20E 109.5 . . ?
C17 C20 H20F 109.5 . . ?
H20D C20 H20F 109.5 . . ?
H20E C20 H20F 109.5 . . ?

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
C1 Pt1 N1 C9 141.99(13) . . . . ?
N2 Pt1 N1 C9 139.43(19) . . . . ?
Cl1 Pt1 N1 C9 -44.03(12) . . . . ?
C1 Pt1 N1 C8 -96.99(12) . . . . ?
N2 Pt1 N1 C8 -99.5(2) . . . . ?
Cl1 Pt1 N1 C8 76.99(11) . . . . ?
C1 Pt1 N1 C7 20.79(11) . . . . ?
N2 Pt1 N1 C7 18.2(3) . . . . ?
Cl1 Pt1 N1 C7 -165.23(10) . . . . ?
C1 Pt1 N2 C12 147.43(12) . . . . ?
N1 Pt1 N2 C12 149.98(18) . . . . ?
Cl1 Pt1 N2 C12 -26.54(11) . . . . ?
C1 Pt1 N2 C11 -90.55(11) . . . . ?
N1 Pt1 N2 C11 -88.0(2) . . . . ?
Cl1 Pt1 N2 C11 95.48(10) . . . . ?
C1 Pt1 N2 C10 26.24(10) . . . . ?
N1 Pt1 N2 C10 28.8(3) . . . . ?
Cl1 Pt1 N2 C10 -147.72(9) . . . . ?
N2 Pt1 C1 C2 171.10(14) . . . . ?
N1 Pt1 C1 C2 -8.19(13) . . . . ?
N2 Pt1 C1 C6 -15.00(13) . . . . ?
N1 Pt1 C1 C6 165.71(14) . . . . ?
C6 C1 C2 C3 -0.4(3) . . . . ?
Pt1 C1 C2 C3 173.23(13) . . . . ?
C6 C1 C2 C7 179.19(16) . . . . ?
Pt1 C1 C2 C7 -7.1(2) . . . . ?
C1 C2 C3 C4 1.2(2) . . . . ?
C7 C2 C3 C4 -178.32(17) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C2 C3 C4 C13 -175.11(16) . . . . ?
C3 C4 C5 C6 -1.7(3) . . . . ?
C13 C4 C5 C6 173.32(16) . . . . ?
C4 C5 C6 C1 2.5(2) . . . . ?
C4 C5 C6 C10 -171.18(16) . . . . ?
C2 C1 C6 C5 -1.5(3) . . . . ?
Pt1 C1 C6 C5 -175.23(13) . . . . ?
C2 C1 C6 C10 172.99(15) . . . . ?
Pt1 C1 C6 C10 -0.8(2) . . . . ?
C1 C2 C7 N1 24.6(2) . . . . ?
C3 C2 C7 N1 -155.83(17) . . . . ?
C9 N1 C7 C2 -153.65(15) . . . . ?
C8 N1 C7 C2 88.19(17) . . . . ?
Pt1 N1 C7 C2 -29.35(16) . . . . ?
C5 C6 C10 N2 -162.76(16) . . . . ?
C1 C6 C10 N2 23.3(2) . . . . ?
C12 N2 C10 C6 -158.75(14) . . . . ?
C11 N2 C10 C6 84.33(16) . . . . ?
Pt1 N2 C10 C6 -32.72(15) . . . . ?
C14 N3 C13 C4 -173.86(16) . . . . ?
C3 C4 C13 N3 173.52(17) . . . . ?
C5 C4 C13 N3 -1.5(3) . . . . ?
C13 N3 C14 C15 17.2(3) . . . . ?
C13 N3 C14 C19 -166.67(18) . . . . ?
C19 C14 C15 C16 -0.8(3) . . . . ?
N3 C14 C15 C16 175.27(18) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
C15 C16 C17 C18 1.2(3) . . . . ?
C15 C16 C17 C20 -177.83(18) . . . . ?
C16 C17 C18 C19 -1.2(3) . . . . ?
C20 C17 C18 C19 177.85(18) . . . . ?
C17 C18 C19 C14 0.2(3) . . . . ?
C15 C14 C19 C18 0.8(3) . . . . ?
N3 C14 C19 C18 -175.67(17) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.063
_database_code_depnum_ccdc_archive 'CCDC 649683'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_s3659a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C19 H23 Cl2 N3 Pt'
_chemical_formula_sum            'C19 H23 Cl2 N3 Pt'
_chemical_formula_weight         559.39

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'
Cl Cl 0.1484 0.1585 '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'
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   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   18.1760(4)
_cell_length_b                   8.9325(3)
_cell_length_c                   11.8834(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.713(3)
_cell_angle_gamma                90.00
_cell_volume                     1922.84(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    29112
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      27.50

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080
_exptl_absorpt_coefficient_mu    7.582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.18
_exptl_absorpt_correction_T_max  0.51
_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         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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            53574
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0180
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         27.49
_reflns_number_total             4417
_reflns_number_gt                3901
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       Peakref
_computing_data_reduction        'EvalCCD, Sadabs'
_computing_structure_solution    'coordinates from s3660a'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0179P)²+0.6020P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4417
_refine_ls_number_parameters     230
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0219
_refine_ls_R_factor_gt           0.0156
_refine_ls_wR_factor_ref         0.0343
_refine_ls_wR_factor_gt          0.0327
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.128842(4) 0.458162(9) 0.390063(7) 0.01222(3) Uani 1 1 d . . .
Cl1 Cl 0.02871(3) 0.48136(6) 0.24468(5) 0.01873(12) Uani 1 1 d . . .
Cl2 Cl 0.47876(4) 0.54681(7) 1.35769(5) 0.02923(14) Uani 1 1 d . . .
N1 N 0.19514(10) 0.6285(2) 0.33195(15) 0.0166(4) Uani 1 1 d . . .
N2 N 0.08619(10) 0.2863(2) 0.48434(15) 0.0135(4) Uani 1 1 d . . .
N3 N 0.33542(11) 0.4421(2) 0.89763(17) 0.0200(4) Uani 1 1 d . . .
C1 C 0.20405(12) 0.4580(2) 0.51320(19) 0.0136(4) Uani 1 1 d . . .
C2 C 0.26761(12) 0.5431(2) 0.50661(19) 0.0155(4) Uani 1 1 d . . .
C3 C 0.31777(13) 0.5543(2) 0.60117(19) 0.0168(5) Uani 1 1 d . . .
H3 H 0.3614 0.6122 0.5982 0.020 Uiso 1 1 calc R . .
C4 C 0.30345(12) 0.4789(2) 0.70179(19) 0.0149(5) Uani 1 1 d . . .
C5 C 0.23917(12) 0.3917(3) 0.70589(18) 0.0149(4) Uani 1 1 d . . .
H5 H 0.2304 0.3387 0.7728 0.018 Uiso 1 1 calc R . .
C6 C 0.18901(12) 0.3833(3) 0.61279(17) 0.0137(4) Uani 1 1 d . . .
C7 C 0.27229(12) 0.6117(3) 0.39111(19) 0.0192(5) Uani 1 1 d . . .
H7A H 0.3026 0.5471 0.3454 0.023 Uiso 1 1 calc R . .
H7B H 0.2963 0.7111 0.3988 0.023 Uiso 1 1 calc R . .
C8 C 0.16415(14) 0.7754(3) 0.3644(2) 0.0249(6) Uani 1 1 d . . .
H8A H 0.1947 0.8566 0.3381 0.037 Uiso 1 1 calc R . .
H8B H 0.1639 0.7806 0.4468 0.037 Uiso 1 1 calc R . .
H8C H 0.1136 0.7855 0.3298 0.037 Uiso 1 1 calc R . .
C9 C 0.20059(14) 0.6276(3) 0.20744(19) 0.0269(6) Uani 1 1 d . . .
H9A H 0.1515 0.6434 0.1687 0.040 Uiso 1 1 calc R . .
H9B H 0.2201 0.5309 0.1847 0.040 Uiso 1 1 calc R . .
H9C H 0.2338 0.7078 0.1871 0.040 Uiso 1 1 calc R . .
C10 C 0.11342(12) 0.3131(3) 0.60731(17) 0.0160(5) Uani 1 1 d . . .
H10A H 0.0788 0.3802 0.6431 0.019 Uiso 1 1 calc R . .
H10B H 0.1157 0.2169 0.6488 0.019 Uiso 1 1 calc R . .
C11 C 0.11728(13) 0.1409(3) 0.4482(2) 0.0185(5) Uani 1 1 d . . .
H11A H 0.0992 0.0596 0.4940 0.028 Uiso 1 1 calc R . .
H11B H 0.1713 0.1446 0.4586 0.028 Uiso 1 1 calc R . .
H11C H 0.1018 0.1232 0.3684 0.028 Uiso 1 1 calc R . .
C12 C 0.00427(11) 0.2723(3) 0.47671(19) 0.0179(5) Uani 1 1 d . . .
H12A H -0.0139 0.2487 0.3988 0.027 Uiso 1 1 calc R . .
H12B H -0.0174 0.3669 0.4994 0.027 Uiso 1 1 calc R . .
H12C H -0.0097 0.1919 0.5269 0.027 Uiso 1 1 calc R . .
C13 C 0.35234(13) 0.4998(3) 0.8047(2) 0.0171(5) Uani 1 1 d . . .
H13 H 0.3965 0.5561 0.8025 0.020 Uiso 1 1 calc R . .
C14 C 0.37597(13) 0.4707(3) 1.0020(2) 0.0175(5) Uani 1 1 d . . .
C15 C 0.42128(13) 0.5942(3) 1.0270(2) 0.0208(5) Uani 1 1 d . . .
H15 H 0.4302 0.6636 0.9692 0.025 Uiso 1 1 calc R . .
C16 C 0.45357(13) 0.6167(3) 1.1359(2) 0.0214(5) Uani 1 1 d . . .
H16 H 0.4844 0.7010 1.1525 0.026 Uiso 1 1 calc R . .
C17 C 0.44027(13) 0.5151(3) 1.2199(2) 0.0195(5) Uani 1 1 d . . .
C18 C 0.39647(14) 0.3901(3) 1.1973(2) 0.0233(5) Uani 1 1 d . . .
H18 H 0.3886 0.3199 1.2552 0.028 Uiso 1 1 calc R . .
C19 C 0.36428(13) 0.3692(3) 1.08854(19) 0.0215(5) Uani 1 1 d . . .
H19 H 0.3337 0.2844 1.0724 0.026 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 C1 1.919(2) . ?
Pt1 N2 2.0867(18) . ?
Pt1 N1 2.0931(19) . ?
Pt1 Cl1 2.4132(6) . ?
Cl2 C17 1.750(2) . ?
N1 C9 1.491(3) . ?
N1 C8 1.491(3) . ?
N1 C7 1.523(3) . ?
N2 C12 1.490(3) . ?
N2 C11 1.493(3) . ?
N2 C10 1.523(3) . ?
N3 C13 1.279(3) . ?
N3 C14 1.413(3) . ?
C1 C2 1.390(3) . ?
C1 C6 1.405(3) . ?
C2 C3 1.391(3) . ?
C2 C7 1.512(3) . ?
C3 C4 1.415(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.408(3) . ?
C4 C13 1.463(3) . ?
C5 C6 1.377(3) . ?
C5 H5 0.9500 . ?
C6 C10 1.507(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C14 C15 1.394(3) . ?
C14 C19 1.401(3) . ?
C15 C16 1.391(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(4) . ?
C18 C19 1.387(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?

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
C1 Pt1 N2 82.11(8) . . ?
C1 Pt1 N1 81.88(8) . . ?
N2 Pt1 N1 163.98(7) . . ?
C1 Pt1 Cl1 173.85(7) . . ?
N2 Pt1 Cl1 98.97(5) . . ?
N1 Pt1 Cl1 97.02(5) . . ?
C9 N1 C8 108.61(19) . . ?
C9 N1 C7 108.90(17) . . ?
C8 N1 C7 108.67(18) . . ?
C9 N1 Pt1 114.23(15) . . ?
C8 N1 Pt1 108.32(14) . . ?
C7 N1 Pt1 108.01(13) . . ?
C12 N2 C11 108.01(17) . . ?
C12 N2 C10 108.42(16) . . ?
C11 N2 C10 108.14(17) . . ?
C12 N2 Pt1 116.30(14) . . ?
C11 N2 Pt1 108.63(13) . . ?
C10 N2 Pt1 107.10(12) . . ?
C13 N3 C14 122.6(2) . . ?
C2 C1 C6 121.8(2) . . ?
C2 C1 Pt1 119.99(17) . . ?
C6 C1 Pt1 117.85(16) . . ?
C1 C2 C3 119.1(2) . . ?
C1 C2 C7 112.4(2) . . ?
C3 C2 C7 128.5(2) . . ?
C2 C3 C4 119.6(2) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 120.2(2) . . ?
C5 C4 C13 119.4(2) . . ?
C3 C4 C13 120.3(2) . . ?
C6 C5 C4 119.9(2) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 119.3(2) . . ?
C5 C6 C10 126.78(19) . . ?
C1 C6 C10 113.65(19) . . ?
C2 C7 N1 109.91(17) . . ?
C2 C7 H7A 109.7 . . ?
N1 C7 H7A 109.7 . . ?
C2 C7 H7B 109.7 . . ?
N1 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 N2 109.27(16) . . ?
C6 C10 H10A 109.8 . . ?
N2 C10 H10A 109.8 . . ?
C6 C10 H10B 109.8 . . ?
N2 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C4 119.8(2) . . ?
N3 C13 H13 120.1 . . ?
C4 C13 H13 120.1 . . ?
C15 C14 C19 118.5(2) . . ?
C15 C14 N3 126.0(2) . . ?
C19 C14 N3 115.3(2) . . ?
C16 C15 C14 120.7(2) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C15 119.3(2) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 C16 121.3(2) . . ?
C18 C17 Cl2 119.44(19) . . ?
C16 C17 Cl2 119.21(19) . . ?
C17 C18 C19 118.8(2) . . ?
C17 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C18 C19 C14 121.3(2) . . ?
C18 C19 H19 119.3 . . ?
C14 C19 H19 119.3 . . ?

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
C1 Pt1 N1 C9 142.23(17) . . . . ?
N2 Pt1 N1 C9 139.8(2) . . . . ?
Cl1 Pt1 N1 C9 -43.87(16) . . . . ?
C1 Pt1 N1 C8 -96.61(15) . . . . ?
N2 Pt1 N1 C8 -99.1(3) . . . . ?
Cl1 Pt1 N1 C8 77.29(14) . . . . ?
C1 Pt1 N1 C7 20.91(14) . . . . ?
N2 Pt1 N1 C7 18.5(3) . . . . ?
Cl1 Pt1 N1 C7 -165.19(13) . . . . ?
C1 Pt1 N2 C12 147.99(16) . . . . ?
N1 Pt1 N2 C12 150.4(2) . . . . ?
Cl1 Pt1 N2 C12 -25.89(15) . . . . ?
C1 Pt1 N2 C11 -89.97(14) . . . . ?
N1 Pt1 N2 C11 -87.5(3) . . . . ?
Cl1 Pt1 N2 C11 96.14(13) . . . . ?
C1 Pt1 N2 C10 26.61(14) . . . . ?
N1 Pt1 N2 C10 29.1(3) . . . . ?
Cl1 Pt1 N2 C10 -147.28(12) . . . . ?
N2 Pt1 C1 C2 171.21(19) . . . . ?
N1 Pt1 C1 C2 -8.11(17) . . . . ?
N2 Pt1 C1 C6 -15.46(17) . . . . ?
N1 Pt1 C1 C6 165.22(18) . . . . ?
C6 C1 C2 C3 0.1(3) . . . . ?
Pt1 C1 C2 C3 173.16(17) . . . . ?
C6 C1 C2 C7 179.5(2) . . . . ?
Pt1 C1 C2 C7 -7.4(3) . . . . ?
C1 C2 C3 C4 0.2(3) . . . . ?
C7 C2 C3 C4 -179.1(2) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C2 C3 C4 C13 -174.7(2) . . . . ?
C3 C4 C5 C6 -1.9(3) . . . . ?
C13 C4 C5 C6 173.5(2) . . . . ?
C4 C5 C6 C1 2.2(3) . . . . ?
C4 C5 C6 C10 -171.2(2) . . . . ?
C2 C1 C6 C5 -1.4(3) . . . . ?
Pt1 C1 C6 C5 -174.56(16) . . . . ?
C2 C1 C6 C10 172.9(2) . . . . ?
Pt1 C1 C6 C10 -0.3(3) . . . . ?
C1 C2 C7 N1 25.0(3) . . . . ?
C3 C2 C7 N1 -155.7(2) . . . . ?
C9 N1 C7 C2 -154.3(2) . . . . ?
C8 N1 C7 C2 87.6(2) . . . . ?
Pt1 N1 C7 C2 -29.7(2) . . . . ?
C5 C6 C10 N2 -163.2(2) . . . . ?
C1 C6 C10 N2 23.0(3) . . . . ?
C12 N2 C10 C6 -159.13(18) . . . . ?
C11 N2 C10 C6 84.0(2) . . . . ?
Pt1 N2 C10 C6 -32.9(2) . . . . ?
C14 N3 C13 C4 -173.3(2) . . . . ?
C5 C4 C13 N3 -1.7(3) . . . . ?
C3 C4 C13 N3 173.7(2) . . . . ?
C13 N3 C14 C15 22.1(4) . . . . ?
C13 N3 C14 C19 -162.6(2) . . . . ?
C19 C14 C15 C16 -0.6(4) . . . . ?
N3 C14 C15 C16 174.5(2) . . . . ?
C14 C15 C16 C17 -0.1(4) . . . . ?
C15 C16 C17 C18 1.1(4) . . . . ?
C15 C16 C17 Cl2 -178.12(18) . . . . ?
C16 C17 C18 C19 -1.4(4) . . . . ?
Cl2 C17 C18 C19 177.80(19) . . . . ?
C17 C18 C19 C14 0.7(4) . . . . ?
C15 C14 C19 C18 0.3(4) . . . . ?
N3 C14 C19 C18 -175.4(2) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.986
_refine_diff_density_rms         0.093
_database_code_depnum_ccdc_archive 'CCDC 649684'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_s3584b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H23 Cl N4 Pt'
_chemical_formula_sum            'C20 H23 Cl N4 Pt'
_chemical_formula_weight         549.96

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'
Cl Cl 0.1484 0.1585 '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'
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   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   18.3716(7)
_cell_length_b                   9.1309(4)
_cell_length_c                   11.5847(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.535(1)
_cell_angle_gamma                90.00
_cell_volume                     1937.24(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    125(2)
_cell_measurement_reflns_used    17123
_cell_measurement_theta_min      1.76
_cell_measurement_theta_max      27.49

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1064
_exptl_absorpt_coefficient_mu    7.392
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.17
_exptl_absorpt_correction_T_max  0.44
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      125(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_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            23964
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.22
_diffrn_reflns_theta_max         27.50
_reflns_number_total             4433
_reflns_number_gt                4064
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Nonius COLLECT'
_computing_cell_refinement       Peakref
_computing_data_reduction        'EvalCCD, ABST, Sortav'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0052P)²+13.0198P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4433
_refine_ls_number_parameters     276
_refine_ls_number_restraints     60
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0295
_refine_ls_wR_factor_ref         0.0683
_refine_ls_wR_factor_gt          0.0671
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_restrained_S_all      1.155
_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 0.872727(11) 0.47805(2) 0.349394(14) 0.02295(6) Uani 1 1 d . . .
Cl1 Cl 0.97410(7) 0.47647(14) 0.23032(10) 0.0304(3) Uani 1 1 d . . .
N1 N 0.9041(2) 0.3051(4) 0.4603(3) 0.0233(8) Uani 1 1 d . . .
N2 N 0.8182(3) 0.6543(5) 0.2677(3) 0.0291(9) Uani 1 1 d . . .
N3 N 0.5696(3) 0.6121(7) 0.6504(4) 0.0458(13) Uani 1 1 d . A .
N4 N 0.3177(3) 0.6158(9) 1.0451(6) 0.071(2) Uani 1 1 d . . .
C1 C 0.7940(3) 0.4904(6) 0.4479(4) 0.0270(10) Uani 1 1 d . . .
C2 C 0.7994(3) 0.4135(6) 0.5521(4) 0.0242(10) Uani 1 1 d . . .
C3 C 0.7431(3) 0.4248(6) 0.6236(4) 0.0283(11) Uani 1 1 d . . .
H3 H 0.7451 0.3715 0.6942 0.034 Uiso 1 1 calc R . .
C4 C 0.6831(3) 0.5142(7) 0.5925(4) 0.0317(12) Uani 1 1 d . . .
C5 C 0.6792(3) 0.5951(7) 0.4879(4) 0.0352(12) Uani 1 1 d . . .
H5 H 0.6388 0.6576 0.4679 0.042 Uiso 1 1 calc R . .
C6 C 0.7353(3) 0.5818(7) 0.4151(4) 0.0327(12) Uani 1 1 d . . .
C7 C 0.8715(3) 0.3339(6) 0.5747(4) 0.0252(10) Uani 1 1 d . . .
H7A H 0.8636 0.2400 0.6146 0.030 Uiso 1 1 calc R . .
H7B H 0.9055 0.3941 0.6254 0.030 Uiso 1 1 calc R . .
C8 C 0.8714(3) 0.1675(6) 0.4099(4) 0.0300(11) Uani 1 1 d . . .
H8A H 0.8892 0.1505 0.3335 0.045 Uiso 1 1 calc R . .
H8B H 0.8181 0.1767 0.4021 0.045 Uiso 1 1 calc R . .
H8C H 0.8853 0.0849 0.4610 0.045 Uiso 1 1 calc R . .
C9 C 0.9838(3) 0.2826(6) 0.4825(4) 0.0273(10) Uani 1 1 d . . .
H9A H 0.9930 0.1989 0.5346 0.041 Uiso 1 1 calc R . .
H9B H 1.0061 0.3707 0.5185 0.041 Uiso 1 1 calc R . .
H9C H 1.0052 0.2634 0.4091 0.041 Uiso 1 1 calc R . .
C10 C 0.7406(3) 0.6546(8) 0.2991(5) 0.0426(15) Uani 1 1 d . . .
H10A H 0.7095 0.6018 0.2391 0.051 Uiso 1 1 calc R . .
H10B H 0.7228 0.7567 0.3024 0.051 Uiso 1 1 calc R . .
C11 C 0.8541(4) 0.7908(6) 0.3119(5) 0.0400(14) Uani 1 1 d . . .
H11A H 0.8299 0.8755 0.2736 0.060 Uiso 1 1 calc R . .
H11B H 0.9056 0.7895 0.2957 0.060 Uiso 1 1 calc R . .
H11C H 0.8505 0.7978 0.3957 0.060 Uiso 1 1 calc R . .
C12 C 0.8188(4) 0.6549(7) 0.1388(4) 0.0380(13) Uani 1 1 d . . .
H12A H 0.7902 0.7381 0.1069 0.057 Uiso 1 1 calc R . .
H12B H 0.7974 0.5635 0.1074 0.057 Uiso 1 1 calc R . .
H12C H 0.8692 0.6634 0.1175 0.057 Uiso 1 1 calc R . .
C13 C 0.6249(3) 0.5273(7) 0.6710(4) 0.0368(13) Uani 1 1 d . . .
H13 H 0.6281 0.4707 0.7400 0.044 Uiso 1 1 calc R . .
C14 C 0.5180(3) 0.6205(7) 0.7331(5) 0.0466(16) Uani 1 1 d D . .
C15A C 0.5377(3) 0.6378(7) 0.8497(6) 0.046(2) Uani 0.814(7) 1 d PD A 1
H15A H 0.5880 0.6429 0.8761 0.055 Uiso 0.814(7) 1 calc PR A 1
C16A C 0.4853(4) 0.6477(8) 0.9283(6) 0.052(2) Uani 0.814(7) 1 d PD A 1
H16A H 0.4997 0.6615 1.0082 0.062 Uiso 0.814(7) 1 calc PR A 1
C18A C 0.3910(4) 0.6242(8) 0.7731(7) 0.055(2) Uani 0.814(7) 1 d PD A 1
H18A H 0.3407 0.6218 0.7471 0.066 Uiso 0.814(7) 1 calc PR A 1
C19A C 0.4432(4) 0.6144(8) 0.6947(6) 0.057(2) Uani 0.814(7) 1 d PD A 1
H19A H 0.4290 0.6034 0.6146 0.068 Uiso 0.814(7) 1 calc PR A 1
C15B C 0.4822(9) 0.4938(12) 0.7666(16) 0.040(8) Uani 0.186(7) 1 d PDU A 2
H15B H 0.4939 0.4017 0.7347 0.047 Uiso 0.186(7) 1 calc PR A 2
C16B C 0.4301(10) 0.5022(13) 0.8456(16) 0.067(12) Uani 0.186(7) 1 d PDU A 2
H16B H 0.4063 0.4160 0.8687 0.081 Uiso 0.186(7) 1 calc PR A 2
C18B C 0.4485(10) 0.7636(13) 0.8600(17) 0.11(2) Uani 0.186(7) 1 d PDU A 2
H18B H 0.4371 0.8555 0.8926 0.126 Uiso 0.186(7) 1 calc PR A 2
C19B C 0.5006(10) 0.7551(13) 0.7810(16) 0.066(12) Uani 0.186(7) 1 d PDU A 2
H19B H 0.5248 0.8414 0.7590 0.079 Uiso 0.186(7) 1 calc PR A 2
C17 C 0.4126(3) 0.6379(8) 0.8918(6) 0.0571(19) Uani 1 1 d D . .
C20 C 0.3598(4) 0.6262(11) 0.9778(7) 0.065(2) Uani 1 1 d . A .


_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 C1 1.915(5) . ?
Pt1 N2 2.083(4) . ?
Pt1 N1 2.089(4) . ?
Pt1 Cl1 2.4037(12) . ?
N1 C9 1.481(7) . ?
N1 C8 1.492(6) . ?
N1 C7 1.520(5) . ?
N2 C11 1.483(7) . ?
N2 C12 1.494(6) . ?
N2 C10 1.498(8) . ?
N3 C13 1.285(8) . ?
N3 C14 1.402(8) . ?
N4 C20 1.144(9) . ?
C1 C6 1.393(8) . ?
C1 C2 1.393(6) . ?
C2 C3 1.379(7) . ?
C2 C7 1.515(7) . ?
C3 C4 1.397(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.416(7) . ?
C4 C13 1.462(7) . ?
C5 C6 1.387(8) . ?
C5 H5 0.9500 . ?
C6 C10 1.510(7) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13 0.9500 . ?
C14 C15A 1.380(7) . ?
C14 C19B 1.396(10) . ?
C14 C15B 1.401(10) . ?
C14 C19A 1.410(7) . ?
C15A C16A 1.380(8) . ?
C15A H15A 0.9500 . ?
C16A C17 1.372(8) . ?
C16A H16A 0.9500 . ?
C18A C19A 1.374(9) . ?
C18A C17 1.407(8) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9500 . ?
C15B C16B 1.377(10) . ?
C15B H15B 0.9500 . ?
C16B C17 1.397(11) . ?
C16B H16B 0.9500 . ?
C18B C19B 1.378(10) . ?
C18B C17 1.389(11) . ?
C18B H18B 0.9500 . ?
C19B H19B 0.9500 . ?
C17 C20 1.448(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
C1 Pt1 N2 82.3(2) . . ?
C1 Pt1 N1 82.13(19) . . ?
N2 Pt1 N1 164.45(16) . . ?
C1 Pt1 Cl1 176.56(15) . . ?
N2 Pt1 Cl1 96.34(12) . . ?
N1 Pt1 Cl1 99.18(12) . . ?
C9 N1 C8 108.3(4) . . ?
C9 N1 C7 109.0(4) . . ?
C8 N1 C7 108.2(4) . . ?
C9 N1 Pt1 115.6(3) . . ?
C8 N1 Pt1 108.2(3) . . ?
C7 N1 Pt1 107.2(3) . . ?
C11 N2 C12 107.7(4) . . ?
C11 N2 C10 108.7(5) . . ?
C12 N2 C10 109.0(4) . . ?
C11 N2 Pt1 107.9(3) . . ?
C12 N2 Pt1 114.5(3) . . ?
C10 N2 Pt1 108.9(3) . . ?
C13 N3 C14 118.3(5) . . ?
C6 C1 C2 122.6(5) . . ?
C6 C1 Pt1 118.6(4) . . ?
C2 C1 Pt1 118.8(4) . . ?
C3 C2 C1 118.5(5) . . ?
C3 C2 C7 128.2(4) . . ?
C1 C2 C7 113.1(4) . . ?
C2 C3 C4 120.2(5) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 120.8(5) . . ?
C3 C4 C13 119.2(5) . . ?
C5 C4 C13 120.0(5) . . ?
C6 C5 C4 119.0(5) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C5 C6 C1 118.9(5) . . ?
C5 C6 C10 127.3(5) . . ?
C1 C6 C10 113.7(5) . . ?
C2 C7 N1 109.4(4) . . ?
C2 C7 H7A 109.8 . . ?
N1 C7 H7A 109.8 . . ?
C2 C7 H7B 109.8 . . ?
N1 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C6 110.2(4) . . ?
N2 C10 H10A 109.6 . . ?
C6 C10 H10A 109.6 . . ?
N2 C10 H10B 109.6 . . ?
C6 C10 H10B 109.6 . . ?
H10A C10 H10B 108.1 . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C4 122.7(5) . . ?
N3 C13 H13 118.7 . . ?
C4 C13 H13 118.7 . . ?
C15A C14 C19B 63.9(9) . . ?
C15A C14 C15B 85.2(9) . . ?
C19B C14 C15B 119.3(8) . . ?
C15A C14 N3 122.4(5) . . ?
C19B C14 N3 120.6(7) . . ?
C15B C14 N3 120.1(6) . . ?
C15A C14 C19A 119.2(6) . . ?
C19B C14 C19A 85.0(9) . . ?
C15B C14 C19A 65.7(9) . . ?
N3 C14 C19A 118.5(5) . . ?
C16A C15A C14 120.7(6) . . ?
C16A C15A H15A 119.7 . . ?
C14 C15A H15A 119.7 . . ?
C17 C16A C15A 120.4(6) . . ?
C17 C16A H16A 119.8 . . ?
C15A C16A H16A 119.8 . . ?
C19A C18A C17 119.6(6) . . ?
C19A C18A H18A 120.2 . . ?
C17 C18A H18A 120.2 . . ?
C18A C19A C14 120.1(6) . . ?
C18A C19A H19A 119.9 . . ?
C14 C19A H19A 119.9 . . ?
C16B C15B C14 120.3(8) . . ?
C16B C15B H15B 119.9 . . ?
C14 C15B H15B 119.9 . . ?
C15B C16B C17 119.8(9) . . ?
C15B C16B H16B 120.1 . . ?
C17 C16B H16B 120.1 . . ?
C19B C18B C17 119.9(9) . . ?
C19B C18B H18B 120.0 . . ?
C17 C18B H18B 120.0 . . ?
C18B C19B C14 120.5(9) . . ?
C18B C19B H19B 119.8 . . ?
C14 C19B H19B 119.8 . . ?
C16A C17 C18B 63.7(10) . . ?
C16A C17 C16B 85.8(9) . . ?
C18B C17 C16B 120.2(8) . . ?
C16A C17 C18A 119.9(7) . . ?
C18B C17 C18A 85.2(9) . . ?
C16B C17 C18A 66.6(9) . . ?
C16A C17 C20 118.8(6) . . ?
C18B C17 C20 127.0(8) . . ?
C16B C17 C20 112.7(8) . . ?
C18A C17 C20 120.9(6) . . ?
N4 C20 C17 179.3(10) . . ?

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
C1 Pt1 N1 C9 -146.8(3) . . . . ?
N2 Pt1 N1 C9 -146.8(6) . . . . ?
Cl1 Pt1 N1 C9 30.0(3) . . . . ?
C1 Pt1 N1 C8 91.5(3) . . . . ?
N2 Pt1 N1 C8 91.5(7) . . . . ?
Cl1 Pt1 N1 C8 -91.7(3) . . . . ?
C1 Pt1 N1 C7 -25.0(3) . . . . ?
N2 Pt1 N1 C7 -25.0(8) . . . . ?
Cl1 Pt1 N1 C7 151.8(3) . . . . ?
C1 Pt1 N2 C11 97.4(4) . . . . ?
N1 Pt1 N2 C11 97.5(7) . . . . ?
Cl1 Pt1 N2 C11 -79.4(3) . . . . ?
C1 Pt1 N2 C12 -142.6(4) . . . . ?
N1 Pt1 N2 C12 -142.6(6) . . . . ?
Cl1 Pt1 N2 C12 40.5(4) . . . . ?
C1 Pt1 N2 C10 -20.3(4) . . . . ?
N1 Pt1 N2 C10 -20.3(8) . . . . ?
Cl1 Pt1 N2 C10 162.8(3) . . . . ?
N2 Pt1 C1 C6 10.0(4) . . . . ?
N1 Pt1 C1 C6 -170.0(5) . . . . ?
N2 Pt1 C1 C2 -166.8(4) . . . . ?
N1 Pt1 C1 C2 13.2(4) . . . . ?
C6 C1 C2 C3 2.2(8) . . . . ?
Pt1 C1 C2 C3 178.9(4) . . . . ?
C6 C1 C2 C7 -174.0(5) . . . . ?
Pt1 C1 C2 C7 2.7(6) . . . . ?
C1 C2 C3 C4 -1.5(8) . . . . ?
C7 C2 C3 C4 174.2(5) . . . . ?
C2 C3 C4 C5 -0.3(8) . . . . ?
C2 C3 C4 C13 -178.5(5) . . . . ?
C3 C4 C5 C6 1.4(9) . . . . ?
C13 C4 C5 C6 179.6(5) . . . . ?
C4 C5 C6 C1 -0.7(9) . . . . ?
C4 C5 C6 C10 178.2(6) . . . . ?
C2 C1 C6 C5 -1.1(9) . . . . ?
Pt1 C1 C6 C5 -177.8(4) . . . . ?
C2 C1 C6 C10 179.8(5) . . . . ?
Pt1 C1 C6 C10 3.1(7) . . . . ?
C3 C2 C7 N1 160.2(5) . . . . ?
C1 C2 C7 N1 -24.0(6) . . . . ?
C9 N1 C7 C2 158.0(4) . . . . ?
C8 N1 C7 C2 -84.4(5) . . . . ?
Pt1 N1 C7 C2 32.1(5) . . . . ?
C11 N2 C10 C6 -90.7(6) . . . . ?
C12 N2 C10 C6 152.2(5) . . . . ?
Pt1 N2 C10 C6 26.6(6) . . . . ?
C5 C6 C10 N2 160.7(6) . . . . ?
C1 C6 C10 N2 -20.3(8) . . . . ?
C14 N3 C13 C4 -177.8(5) . . . . ?
C3 C4 C13 N3 177.0(6) . . . . ?
C5 C4 C13 N3 -1.1(9) . . . . ?
C13 N3 C14 C15A 46.8(8) . . . . ?
C13 N3 C14 C19B 123.5(12) . . . . ?
C13 N3 C14 C15B -57.9(12) . . . . ?
C13 N3 C14 C19A -134.7(6) . . . . ?
C19B C14 C15A C16A 68.0(6) . . . . ?
C15B C14 C15A C16A -58.1(6) . . . . ?
N3 C14 C15A C16A 179.1(6) . . . . ?
C19A C14 C15A C16A 0.6(3) . . . . ?
C14 C15A C16A C17 1.2(3) . . . . ?
C17 C18A C19A C14 -1.1(8) . . . . ?
C15A C14 C19A C18A -0.6(6) . . . . ?
C19B C14 C19A C18A -56.9(8) . . . . ?
C15B C14 C19A C18A 68.5(7) . . . . ?
N3 C14 C19A C18A -179.1(6) . . . . ?
C15A C14 C15B C16B 56.7(6) . . . . ?
C19B C14 C15B C16B 0.3(3) . . . . ?
N3 C14 C15B C16B -178.4(5) . . . . ?
C19A C14 C15B C16B -68.4(5) . . . . ?
C14 C15B C16B C17 0.5(3) . . . . ?
C17 C18B C19B C14 -0.4(9) . . . . ?
C15A C14 C19B C18B -67.9(7) . . . . ?
C15B C14 C19B C18B -0.4(7) . . . . ?
N3 C14 C19B C18B 178.3(7) . . . . ?
C19A C14 C19B C18B 58.0(8) . . . . ?
C15A C16A C17 C18B -69.8(6) . . . . ?
C15A C16A C17 C16B 57.0(7) . . . . ?
C15A C16A C17 C18A -2.9(6) . . . . ?
C15A C16A C17 C20 170.7(7) . . . . ?
C19B C18B C17 C16A 68.8(7) . . . . ?
C19B C18B C17 C16B 1.2(9) . . . . ?
C19B C18B C17 C18A -58.1(8) . . . . ?
C19B C18B C17 C20 176.3(8) . . . . ?
C15B C16B C17 C16A -57.4(6) . . . . ?
C15B C16B C17 C18B -1.3(7) . . . . ?
C15B C16B C17 C18A 67.8(5) . . . . ?
C15B C16B C17 C20 -177.0(6) . . . . ?
C19A C18A C17 C16A 2.9(8) . . . . ?
C19A C18A C17 C18B 58.7(8) . . . . ?
C19A C18A C17 C16B -67.2(7) . . . . ?
C19A C18A C17 C20 -170.6(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.634
_refine_diff_density_min         -1.634
_refine_diff_density_rms         0.133

#===END


_database_code_depnum_ccdc_archive 'CCDC 649685'
