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

#######################################################################
#
#                 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.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2b

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C25 H30 Cl2 N2 O2 Pt'
_chemical_formula_moiety         'C25 H30 Cl2 N2 O2 Pt'
_chemical_formula_weight         656.52
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_Int_Tables_number      61
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,+Z
3 +X,1/2-Y,1/2+Z
4 1/2-X,-Y,1/2+Z
5 -X,-Y,-Z
6 1/2+X,1/2-Y,-Z
7 -X,1/2+Y,1/2-Z
8 1/2+X,+Y,1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.0659(3)
_cell_length_b                   24.2531(5)
_cell_length_c                   28.6200(7)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     9763.4(4)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    128509
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5152.00
_exptl_absorpt_coefficient_mu    5.969
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.269
_exptl_absorpt_correction_T_max  0.551

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            192498
_diffrn_reflns_av_R_equivalents  0.0924
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             11136
_reflns_number_gt                9240
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.0993
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11136
_refine_ls_number_parameters     557
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0445P)²+57.5511P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         3.650
_refine_diff_density_min         -1.720
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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(1) Pt 0.262122(15) 0.238363(9) 0.132541(8) 0.02221(7) Uani 1.0 8 d . . .
Pt(2) Pt 0.428523(15) 0.140711(8) 0.092569(7) 0.02086(6) Uani 1.0 8 d . . .
Cl(1) Cl 0.27983(11) 0.31413(7) -0.09981(5) 0.0336(4) Uani 1.0 8 d . . .
Cl(2) Cl 0.40487(13) 0.08011(8) 0.31870(6) 0.0470(5) Uani 1.0 8 d . . .
Cl(3) Cl 0.02752(12) -0.02090(7) 0.10374(7) 0.0438(5) Uani 1.0 8 d . . .
Cl(4) Cl 0.68809(13) 0.38011(7) 0.12023(7) 0.0439(4) Uani 1.0 8 d . . .
O(1) O 0.2293(3) 0.25589(17) 0.06607(14) 0.0274(9) Uani 1.0 8 d . . .
O(2) O 0.2995(3) 0.21656(17) 0.19726(15) 0.0307(10) Uani 1.0 8 d . . .
O(3) O 0.3444(3) 0.07494(17) 0.10149(15) 0.0305(10) Uani 1.0 8 d . . .
O(4) O 0.5069(3) 0.20826(16) 0.08374(14) 0.0252(9) Uani 1.0 8 d . . .
N(1) N 0.3531(4) 0.30170(19) 0.13689(17) 0.0240(10) Uani 1.0 8 d . . .
N(2) N 0.1604(4) 0.18044(19) 0.13039(16) 0.0232(10) Uani 1.0 8 d . . .
N(3) N 0.3822(4) 0.15207(19) 0.02699(16) 0.0229(10) Uani 1.0 8 d . . .
N(4) N 0.4844(4) 0.1264(2) 0.15581(16) 0.0258(11) Uani 1.0 8 d . . .
C(1) C 0.3553(4) 0.3219(3) 0.0533(2) 0.0244(12) Uani 1.0 8 d . . .
C(2) C 0.2815(4) 0.2865(3) 0.0385(2) 0.0240(12) Uani 1.0 8 d . . .
C(3) C 0.2595(4) 0.2841(3) -0.0100(2) 0.0256(12) Uani 1.0 8 d . . .
C(4) C 0.3097(4) 0.3157(3) -0.0409(2) 0.0262(13) Uani 1.0 8 d . . .
C(5) C 0.3840(5) 0.3513(3) -0.0269(3) 0.0286(13) Uani 1.0 8 d . . .
C(6) C 0.4043(4) 0.3538(3) 0.0202(2) 0.0265(13) Uani 1.0 8 d . . .
C(7) C 0.2182(5) 0.1290(3) 0.1973(2) 0.0279(13) Uani 1.0 8 d . . .
C(8) C 0.2852(5) 0.1672(3) 0.2144(2) 0.0273(13) Uani 1.0 8 d . . .
C(9) C 0.3411(5) 0.1514(3) 0.2532(3) 0.0315(14) Uani 1.0 8 d . . .
C(10) C 0.3307(5) 0.0998(3) 0.2725(3) 0.0352(15) Uani 1.0 8 d . . .
C(11) C 0.2639(5) 0.0619(3) 0.2568(3) 0.0376(16) Uani 1.0 8 d . . .
C(12) C 0.2076(5) 0.0775(3) 0.2199(3) 0.0352(15) Uani 1.0 8 d . . .
C(13) C 0.3812(4) 0.3301(3) 0.1014(2) 0.0256(13) Uani 1.0 8 d . . .
C(14) C 0.1537(5) 0.1407(3) 0.1596(2) 0.0269(13) Uani 1.0 8 d . . .
C(15) C 0.3842(5) 0.3215(3) 0.1834(3) 0.0306(14) Uani 1.0 8 d . . .
C(16) C 0.3008(5) 0.3461(3) 0.2105(3) 0.0293(13) Uani 1.0 8 d . . .
C(17) C 0.2607(5) 0.3990(3) 0.1893(3) 0.0377(16) Uani 1.0 8 d . . .
C(18) C 0.1720(6) 0.4212(3) 0.2154(3) 0.0453(18) Uani 1.0 8 d . . .
C(19) C 0.0808(8) 0.3833(5) 0.2122(4) 0.043(3) Uiso 0.6645 8 d . . .
C(20) C 0.0528(8) 0.3717(4) 0.1645(4) 0.037(3) Uani 0.6645 8 d . . .
C(21) C -0.0460(6) 0.3448(4) 0.1626(4) 0.058(3) Uani 1.0 8 d . . .
C(22) C -0.0707(6) 0.2880(4) 0.1792(3) 0.0467(19) Uani 1.0 8 d . . .
C(23) C 0.0004(6) 0.2427(4) 0.1648(3) 0.0470(19) Uani 1.0 8 d . . .
C(24) C 0.0225(4) 0.2407(3) 0.1132(2) 0.0282(13) Uani 1.0 8 d . . .
C(25) C 0.0780(4) 0.1892(3) 0.0985(2) 0.0266(13) Uani 1.0 8 d . . .
C(26) C 0.2395(4) 0.0950(3) 0.0367(3) 0.0271(13) Uani 1.0 8 d . . .
C(27) C 0.2638(4) 0.0680(3) 0.0793(2) 0.0250(12) Uani 1.0 8 d . . .
C(28) C 0.1977(5) 0.0302(3) 0.0982(3) 0.0305(14) Uani 1.0 8 d . . .
C(29) C 0.1110(5) 0.0227(3) 0.0772(3) 0.0312(14) Uani 1.0 8 d . . .
C(30) C 0.0855(5) 0.0486(3) 0.0361(3) 0.0333(15) Uani 1.0 8 d . . .
C(31) C 0.1506(5) 0.0838(3) 0.0163(3) 0.0304(14) Uani 1.0 8 d . . .
C(32) C 0.5677(4) 0.2144(3) 0.1625(2) 0.0230(12) Uani 1.0 8 d . . .
C(33) C 0.5522(4) 0.2342(3) 0.1164(2) 0.0245(12) Uani 1.0 8 d . . .
C(34) C 0.5915(4) 0.2860(3) 0.1045(3) 0.0257(12) Uani 1.0 8 d . . .
C(35) C 0.6424(5) 0.3157(3) 0.1364(3) 0.0289(13) Uani 1.0 8 d . . .
C(36) C 0.6587(4) 0.2974(3) 0.1817(3) 0.0299(14) Uani 1.0 8 d . . .
C(37) C 0.6220(5) 0.2465(3) 0.1940(3) 0.0299(14) Uani 1.0 8 d . . .
C(38) C 0.3033(4) 0.1307(3) 0.0113(2) 0.0263(13) Uani 1.0 8 d . . .
C(39) C 0.5374(5) 0.1610(3) 0.1780(2) 0.0261(12) Uani 1.0 8 d . . .
C(40) C 0.4413(4) 0.1835(3) -0.0064(2) 0.0264(13) Uani 1.0 8 d . . .
C(41) C 0.5367(5) 0.1551(3) -0.0141(3) 0.0326(14) Uani 1.0 8 d . . .
C(42) C 0.5295(6) 0.0980(4) -0.0359(3) 0.052(3) Uani 1.0 8 d . . .
C(43) C 0.6272(6) 0.0712(4) -0.0468(3) 0.058(3) Uani 1.0 8 d . . .
C(44) C 0.6867(5) 0.0584(3) -0.0037(3) 0.0345(15) Uani 1.0 8 d . . .
C(45) C 0.6440(8) 0.0221(5) 0.0315(4) 0.083(4) Uani 1.0 8 d . . .
C(46) C 0.7253(13) 0.0192(8) 0.0686(5) 0.062(5) Uiso 0.5356 8 d . . .
C(47) C 0.7001(11) 0.0094(6) 0.1145(5) 0.046(4) Uiso 0.5356 8 d . . .
C(48) C 0.6385(8) 0.0564(5) 0.1302(4) 0.024(3) Uiso 0.5356 8 d . . .
C(49) C 0.5418(7) 0.0308(3) 0.1458(3) 0.056(3) Uani 1.0 8 d . . .
C(50) C 0.4788(6) 0.0698(3) 0.1756(3) 0.0410(17) Uani 1.0 8 d . . .
H(28) H 0.2134 0.0099 0.1255 0.0366 Uiso 1.0 8 calc R . .
H(30) H 0.0253 0.0423 0.0221 0.0400 Uiso 1.0 8 calc R . .
H(31) H 0.1349 0.1012 -0.0124 0.0364 Uiso 1.0 8 calc R . .
H(34) H 0.5825 0.3003 0.0739 0.0308 Uiso 1.0 8 calc R . .
H(36) H 0.6938 0.3190 0.2034 0.0358 Uiso 1.0 8 calc R . .
H(37) H 0.6336 0.2327 0.2246 0.0359 Uiso 1.0 8 calc R . .
H(38) H 0.2862 0.1395 -0.0199 0.0315 Uiso 1.0 8 calc R . .
H(39) H 0.5589 0.1497 0.2080 0.0313 Uiso 1.0 8 calc R . .
H(40A) H 0.4521 0.2212 0.0058 0.0317 Uiso 1.0 8 calc R . .
H(40B) H 0.4074 0.1867 -0.0366 0.0317 Uiso 1.0 8 calc R . .
H(41A) H 0.5764 0.1787 -0.0345 0.0391 Uiso 1.0 8 calc R . .
H(41B) H 0.5696 0.1519 0.0164 0.0391 Uiso 1.0 8 calc R . .
H(42A) H 0.4927 0.1008 -0.0653 0.0621 Uiso 1.0 8 calc R . .
H(42B) H 0.4939 0.0736 -0.0144 0.0621 Uiso 1.0 8 calc R . .
H(43A) H 0.6163 0.0365 -0.0642 0.0699 Uiso 1.0 8 calc R . .
H(43B) H 0.6637 0.0963 -0.0673 0.0699 Uiso 1.0 8 calc R . .
H(44A) H 0.7470 0.0414 -0.0142 0.0414 Uiso 1.0 8 calc R . .
H(44B) H 0.7030 0.0938 0.0116 0.0414 Uiso 1.0 8 calc R . .
H(45A) H 0.6294 -0.0147 0.0185 0.0997 Uiso 0.5356 8 calc R . .
H(45B) H 0.5853 0.0383 0.0448 0.0997 Uiso 0.5356 8 calc R . .
H(46A) H 0.7701 -0.0101 0.0588 0.0740 Uiso 0.5356 8 calc R . .
H(46B) H 0.7605 0.0546 0.0676 0.0740 Uiso 0.5356 8 calc R . .
H(47A) H 0.7576 0.0069 0.1343 0.0549 Uiso 0.5356 8 calc R . .
H(47B) H 0.6648 -0.0259 0.1169 0.0549 Uiso 0.5356 8 calc R . .
H(48A) H 0.6285 0.0828 0.1043 0.0294 Uiso 0.5356 8 calc R . .
H(48B) H 0.6687 0.0761 0.1566 0.0294 Uiso 0.5356 8 calc R . .
H(49A) H 0.5058 0.0198 0.1176 0.0673 Uiso 0.5356 8 calc R . .
H(49B) H 0.5548 -0.0030 0.1641 0.0673 Uiso 0.5356 8 calc R . .
H(50A) H 0.4121 0.0568 0.1751 0.0492 Uiso 1.0 8 calc R . .
H(50B) H 0.5011 0.0699 0.2084 0.0492 Uiso 1.0 8 calc R . .
H(3) H 0.2102 0.2606 -0.0208 0.0307 Uiso 1.0 8 calc R . .
H(5) H 0.4185 0.3726 -0.0490 0.0344 Uiso 1.0 8 calc R . .
H(6) H 0.4531 0.3780 0.0306 0.0318 Uiso 1.0 8 calc R . .
H(9) H 0.3859 0.1765 0.2660 0.0378 Uiso 1.0 8 calc R . .
H(11) H 0.2573 0.0267 0.2711 0.0451 Uiso 1.0 8 calc R . .
H(12) H 0.1600 0.0529 0.2091 0.0423 Uiso 1.0 8 calc R . .
H(13) H 0.4234 0.3598 0.1078 0.0308 Uiso 1.0 8 calc R . .
H(14) H 0.1010 0.1166 0.1561 0.0322 Uiso 1.0 8 calc R . .
H(15A) H 0.4344 0.3497 0.1795 0.0367 Uiso 1.0 8 calc R . .
H(15B) H 0.4115 0.2903 0.2013 0.0367 Uiso 1.0 8 calc R . .
H(16A) H 0.2493 0.3184 0.2122 0.0352 Uiso 1.0 8 calc R . .
H(16B) H 0.3218 0.3540 0.2428 0.0352 Uiso 1.0 8 calc R . .
H(17A) H 0.2436 0.3920 0.1563 0.0452 Uiso 1.0 8 calc R . .
H(17B) H 0.3108 0.4277 0.1897 0.0452 Uiso 1.0 8 calc R . .
H(18A) H 0.1560 0.4579 0.2026 0.0543 Uiso 0.5356 8 calc R . .
H(18B) H 0.1885 0.4261 0.2487 0.0543 Uiso 0.5356 8 calc R . .
H(19A) H 0.0936 0.3481 0.2284 0.0517 Uiso 0.5356 8 calc R . .
H(19B) H 0.0275 0.4018 0.2285 0.0517 Uiso 0.5356 8 calc R . .
H(20A) H 0.1000 0.3468 0.1500 0.0446 Uiso 0.5356 8 calc R . .
H(20B) H 0.0518 0.4065 0.1464 0.0446 Uiso 0.5356 8 calc R . .
H(21A) H -0.0891 0.3700 0.1796 0.0694 Uiso 0.5356 8 calc R . .
H(21B) H -0.0657 0.3462 0.1294 0.0694 Uiso 0.5356 8 calc R . .
H(22A) H -0.1342 0.2781 0.1668 0.0561 Uiso 1.0 8 calc R . .
H(22B) H -0.0752 0.2885 0.2137 0.0561 Uiso 1.0 8 calc R . .
H(23A) H 0.0605 0.2485 0.1821 0.0563 Uiso 1.0 8 calc R . .
H(23B) H -0.0255 0.2065 0.1744 0.0563 Uiso 1.0 8 calc R . .
H(24A) H 0.0599 0.2738 0.1047 0.0338 Uiso 1.0 8 calc R . .
H(24B) H -0.0379 0.2420 0.0955 0.0338 Uiso 1.0 8 calc R . .
H(25A) H 0.0356 0.1566 0.0996 0.0319 Uiso 1.0 8 calc R . .
H(25B) H 0.1010 0.1936 0.0660 0.0319 Uiso 1.0 8 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt(1) O(1) 2.003(4) yes . .
Pt(1) O(2) 1.997(5) yes . .
Pt(1) N(1) 2.003(5) yes . .
Pt(1) N(2) 2.006(5) yes . .
Pt(2) O(3) 2.002(5) yes . .
Pt(2) O(4) 1.990(4) yes . .
Pt(2) N(3) 2.006(5) yes . .
Pt(2) N(4) 2.003(5) yes . .
Cl(1) C(4) 1.737(6) yes . .
Cl(2) C(10) 1.751(7) yes . .
Cl(3) C(29) 1.753(7) yes . .
Cl(4) C(35) 1.751(7) yes . .
O(1) C(2) 1.309(7) yes . .
O(2) C(8) 1.309(8) yes . .
O(3) C(27) 1.311(8) yes . .
O(4) C(33) 1.295(7) yes . .
N(1) C(13) 1.289(8) yes . .
N(1) C(15) 1.480(8) yes . .
N(2) C(14) 1.279(8) yes . .
N(2) C(25) 1.490(8) yes . .
N(3) C(38) 1.304(8) yes . .
N(3) C(40) 1.478(8) yes . .
N(4) C(39) 1.288(8) yes . .
N(4) C(50) 1.487(9) yes . .
C(1) C(2) 1.413(8) yes . .
C(1) C(6) 1.405(9) yes . .
C(1) C(13) 1.439(9) yes . .
C(2) C(3) 1.422(9) yes . .
C(3) C(4) 1.368(9) yes . .
C(4) C(5) 1.413(9) yes . .
C(5) C(6) 1.379(9) yes . .
C(7) C(8) 1.410(9) yes . .
C(7) C(12) 1.414(9) yes . .
C(7) C(14) 1.436(9) yes . .
C(8) C(9) 1.413(9) yes . .
C(9) C(10) 1.375(9) yes . .
C(10) C(11) 1.388(10) yes . .
C(11) C(12) 1.375(10) yes . .
C(15) C(16) 1.529(9) yes . .
C(16) C(17) 1.526(9) yes . .
C(17) C(18) 1.550(11) yes . .
C(18) C(19) 1.579(14) yes . .
C(19) C(20) 1.447(16) yes . .
C(20) C(21) 1.536(14) yes . .
C(21) C(22) 1.497(12) yes . .
C(22) C(23) 1.540(11) yes . .
C(23) C(24) 1.509(10) yes . .
C(24) C(25) 1.531(9) yes . .
C(26) C(27) 1.425(9) yes . .
C(26) C(31) 1.406(9) yes . .
C(26) C(38) 1.443(9) yes . .
C(27) C(28) 1.414(9) yes . .
C(28) C(29) 1.371(10) yes . .
C(29) C(30) 1.380(10) yes . .
C(30) C(31) 1.375(9) yes . .
C(32) C(33) 1.421(9) yes . .
C(32) C(37) 1.415(9) yes . .
C(32) C(39) 1.435(9) yes . .
C(33) C(34) 1.414(9) yes . .
C(34) C(35) 1.367(9) yes . .
C(35) C(36) 1.389(9) yes . .
C(36) C(37) 1.383(9) yes . .
C(40) C(41) 1.524(9) yes . .
C(41) C(42) 1.522(11) yes . .
C(42) C(43) 1.551(12) yes . .
C(43) C(44) 1.522(11) yes . .
C(44) C(45) 1.467(13) yes . .
C(45) C(46) 1.561(19) yes . .
C(46) C(47) 1.38(2) yes . .
C(47) C(48) 1.502(18) yes . .
C(48) C(49) 1.560(14) yes . .
C(49) C(50) 1.551(11) yes . .
C(3) H(3) 0.950 no . .
C(5) H(5) 0.950 no . .
C(6) H(6) 0.950 no . .
C(9) H(9) 0.950 no . .
C(11) H(11) 0.950 no . .
C(12) H(12) 0.950 no . .
C(13) H(13) 0.950 no . .
C(14) H(14) 0.950 no . .
C(15) H(15A) 0.990 no . .
C(15) H(15B) 0.990 no . .
C(16) H(16A) 0.990 no . .
C(16) H(16B) 0.990 no . .
C(17) H(17A) 0.990 no . .
C(17) H(17B) 0.990 no . .
C(18) H(18A) 0.990 no . .
C(18) H(18B) 0.990 no . .
C(19) H(19A) 0.990 no . .
C(19) H(19B) 0.990 no . .
C(20) H(20A) 0.990 no . .
C(20) H(20B) 0.990 no . .
C(21) H(21A) 0.990 no . .
C(21) H(21B) 0.990 no . .
C(22) H(22A) 0.990 no . .
C(22) H(22B) 0.990 no . .
C(23) H(23A) 0.990 no . .
C(23) H(23B) 0.990 no . .
C(24) H(24A) 0.990 no . .
C(24) H(24B) 0.990 no . .
C(25) H(25A) 0.990 no . .
C(25) H(25B) 0.990 no . .
C(28) H(28) 0.950 no . .
C(30) H(30) 0.950 no . .
C(31) H(31) 0.950 no . .
C(34) H(34) 0.950 no . .
C(36) H(36) 0.950 no . .
C(37) H(37) 0.950 no . .
C(38) H(38) 0.950 no . .
C(39) H(39) 0.950 no . .
C(40) H(40A) 0.990 no . .
C(40) H(40B) 0.990 no . .
C(41) H(41A) 0.990 no . .
C(41) H(41B) 0.990 no . .
C(42) H(42A) 0.990 no . .
C(42) H(42B) 0.990 no . .
C(43) H(43A) 0.990 no . .
C(43) H(43B) 0.990 no . .
C(44) H(44A) 0.990 no . .
C(44) H(44B) 0.990 no . .
C(45) H(45A) 0.990 no . .
C(45) H(45B) 0.990 no . .
C(46) H(46A) 0.990 no . .
C(46) H(46B) 0.990 no . .
C(47) H(47A) 0.990 no . .
C(47) H(47B) 0.990 no . .
C(48) H(48A) 0.990 no . .
C(48) H(48B) 0.990 no . .
C(49) H(49A) 0.990 no . .
C(49) H(49B) 0.990 no . .
C(50) H(50A) 0.990 no . .
C(50) H(50B) 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O(1) Pt(1) O(2) 176.22(17) yes . . .
O(1) Pt(1) N(1) 92.50(18) yes . . .
O(1) Pt(1) N(2) 87.42(18) yes . . .
O(2) Pt(1) N(1) 88.68(19) yes . . .
O(2) Pt(1) N(2) 91.78(18) yes . . .
N(1) Pt(1) N(2) 174.00(19) yes . . .
O(3) Pt(2) O(4) 177.38(17) yes . . .
O(3) Pt(2) N(3) 92.10(19) yes . . .
O(3) Pt(2) N(4) 88.78(19) yes . . .
O(4) Pt(2) N(3) 87.02(18) yes . . .
O(4) Pt(2) N(4) 92.29(19) yes . . .
N(3) Pt(2) N(4) 175.3(2) yes . . .
Pt(1) O(1) C(2) 124.3(4) yes . . .
Pt(1) O(2) C(8) 123.3(4) yes . . .
Pt(2) O(3) C(27) 123.4(4) yes . . .
Pt(2) O(4) C(33) 125.6(4) yes . . .
Pt(1) N(1) C(13) 123.8(4) yes . . .
Pt(1) N(1) C(15) 119.5(4) yes . . .
C(13) N(1) C(15) 116.4(5) yes . . .
Pt(1) N(2) C(14) 124.0(4) yes . . .
Pt(1) N(2) C(25) 118.3(4) yes . . .
C(14) N(2) C(25) 116.8(5) yes . . .
Pt(2) N(3) C(38) 123.0(4) yes . . .
Pt(2) N(3) C(40) 119.5(4) yes . . .
C(38) N(3) C(40) 117.5(5) yes . . .
Pt(2) N(4) C(39) 124.0(4) yes . . .
Pt(2) N(4) C(50) 118.8(4) yes . . .
C(39) N(4) C(50) 116.4(5) yes . . .
C(2) C(1) C(6) 119.5(6) yes . . .
C(2) C(1) C(13) 123.9(6) yes . . .
C(6) C(1) C(13) 116.5(5) yes . . .
O(1) C(2) C(1) 125.1(6) yes . . .
O(1) C(2) C(3) 116.3(5) yes . . .
C(1) C(2) C(3) 118.5(6) yes . . .
C(2) C(3) C(4) 119.7(6) yes . . .
Cl(1) C(4) C(3) 119.4(5) yes . . .
Cl(1) C(4) C(5) 117.9(5) yes . . .
C(3) C(4) C(5) 122.7(6) yes . . .
C(4) C(5) C(6) 117.2(6) yes . . .
C(1) C(6) C(5) 122.2(6) yes . . .
C(8) C(7) C(12) 119.4(6) yes . . .
C(8) C(7) C(14) 123.6(6) yes . . .
C(12) C(7) C(14) 116.9(6) yes . . .
O(2) C(8) C(7) 125.0(6) yes . . .
O(2) C(8) C(9) 117.2(6) yes . . .
C(7) C(8) C(9) 117.8(6) yes . . .
C(8) C(9) C(10) 120.3(6) yes . . .
Cl(2) C(10) C(9) 119.3(6) yes . . .
Cl(2) C(10) C(11) 117.8(6) yes . . .
C(9) C(10) C(11) 122.9(7) yes . . .
C(10) C(11) C(12) 117.1(7) yes . . .
C(7) C(12) C(11) 122.4(6) yes . . .
N(1) C(13) C(1) 127.0(6) yes . . .
N(2) C(14) C(7) 126.4(6) yes . . .
N(1) C(15) C(16) 110.9(5) yes . . .
C(15) C(16) C(17) 114.3(6) yes . . .
C(16) C(17) C(18) 113.4(6) yes . . .
C(17) C(18) C(19) 115.1(7) yes . . .
C(18) C(19) C(20) 112.9(9) yes . . .
C(19) C(20) C(21) 111.3(9) yes . . .
C(20) C(21) C(22) 126.2(8) yes . . .
C(21) C(22) C(23) 114.8(7) yes . . .
C(22) C(23) C(24) 114.7(6) yes . . .
C(23) C(24) C(25) 113.6(6) yes . . .
N(2) C(25) C(24) 110.2(5) yes . . .
C(27) C(26) C(31) 118.7(6) yes . . .
C(27) C(26) C(38) 123.8(6) yes . . .
C(31) C(26) C(38) 117.4(6) yes . . .
O(3) C(27) C(26) 124.4(6) yes . . .
O(3) C(27) C(28) 117.7(6) yes . . .
C(26) C(27) C(28) 117.9(6) yes . . .
C(27) C(28) C(29) 120.2(6) yes . . .
Cl(3) C(29) C(28) 119.1(5) yes . . .
Cl(3) C(29) C(30) 118.0(5) yes . . .
C(28) C(29) C(30) 122.9(6) yes . . .
C(29) C(30) C(31) 117.5(6) yes . . .
C(26) C(31) C(30) 122.7(6) yes . . .
C(33) C(32) C(37) 119.2(6) yes . . .
C(33) C(32) C(39) 123.1(6) yes . . .
C(37) C(32) C(39) 117.5(6) yes . . .
O(4) C(33) C(32) 125.5(6) yes . . .
O(4) C(33) C(34) 116.8(6) yes . . .
C(32) C(33) C(34) 117.7(6) yes . . .
C(33) C(34) C(35) 120.8(6) yes . . .
Cl(4) C(35) C(34) 119.0(5) yes . . .
Cl(4) C(35) C(36) 118.1(5) yes . . .
C(34) C(35) C(36) 122.8(6) yes . . .
C(35) C(36) C(37) 117.5(6) yes . . .
C(32) C(37) C(36) 122.0(6) yes . . .
N(3) C(38) C(26) 126.5(6) yes . . .
N(4) C(39) C(32) 127.4(6) yes . . .
N(3) C(40) C(41) 110.9(5) yes . . .
C(40) C(41) C(42) 114.3(6) yes . . .
C(41) C(42) C(43) 113.9(7) yes . . .
C(42) C(43) C(44) 114.2(7) yes . . .
C(43) C(44) C(45) 116.9(7) yes . . .
C(44) C(45) C(46) 101.2(9) yes . . .
C(45) C(46) C(47) 117.7(14) yes . . .
C(46) C(47) C(48) 107.6(13) yes . . .
C(47) C(48) C(49) 106.6(9) yes . . .
C(48) C(49) C(50) 114.4(7) yes . . .
N(4) C(50) C(49) 108.9(6) yes . . .
C(2) C(3) H(3) 120.124 no . . .
C(4) C(3) H(3) 120.138 no . . .
C(4) C(5) H(5) 121.383 no . . .
C(6) C(5) H(5) 121.373 no . . .
C(1) C(6) H(6) 118.870 no . . .
C(5) C(6) H(6) 118.885 no . . .
C(8) C(9) H(9) 119.865 no . . .
C(10) C(9) H(9) 119.880 no . . .
C(10) C(11) H(11) 121.442 no . . .
C(12) C(11) H(11) 121.438 no . . .
C(7) C(12) H(12) 118.834 no . . .
C(11) C(12) H(12) 118.797 no . . .
N(1) C(13) H(13) 116.493 no . . .
C(1) C(13) H(13) 116.491 no . . .
N(2) C(14) H(14) 116.803 no . . .
C(7) C(14) H(14) 116.795 no . . .
N(1) C(15) H(15A) 109.475 no . . .
N(1) C(15) H(15B) 109.468 no . . .
C(16) C(15) H(15A) 109.474 no . . .
C(16) C(15) H(15B) 109.452 no . . .
H(15A) C(15) H(15B) 108.054 no . . .
C(15) C(16) H(16A) 108.693 no . . .
C(15) C(16) H(16B) 108.694 no . . .
C(17) C(16) H(16A) 108.700 no . . .
C(17) C(16) H(16B) 108.684 no . . .
H(16A) C(16) H(16B) 107.620 no . . .
C(16) C(17) H(17A) 108.878 no . . .
C(16) C(17) H(17B) 108.895 no . . .
C(18) C(17) H(17A) 108.878 no . . .
C(18) C(17) H(17B) 108.882 no . . .
H(17A) C(17) H(17B) 107.726 no . . .
C(17) C(18) H(18A) 108.492 no . . .
C(17) C(18) H(18B) 108.486 no . . .
C(19) C(18) H(18A) 108.487 no . . .
C(19) C(18) H(18B) 108.502 no . . .
H(18A) C(18) H(18B) 107.501 no . . .
C(18) C(19) H(19A) 109.000 no . . .
C(18) C(19) H(19B) 109.001 no . . .
C(20) C(19) H(19A) 109.010 no . . .
C(20) C(19) H(19B) 109.006 no . . .
H(19A) C(19) H(19B) 107.776 no . . .
C(19) C(20) H(20A) 109.376 no . . .
C(19) C(20) H(20B) 109.377 no . . .
C(21) C(20) H(20A) 109.371 no . . .
C(21) C(20) H(20B) 109.364 no . . .
H(20A) C(20) H(20B) 107.985 no . . .
C(20) C(21) H(21A) 105.787 no . . .
C(20) C(21) H(21B) 105.780 no . . .
C(22) C(21) H(21A) 105.771 no . . .
C(22) C(21) H(21B) 105.782 no . . .
H(21A) C(21) H(21B) 106.180 no . . .
C(21) C(22) H(22A) 108.552 no . . .
C(21) C(22) H(22B) 108.550 no . . .
C(23) C(22) H(22A) 108.559 no . . .
C(23) C(22) H(22B) 108.552 no . . .
H(22A) C(22) H(22B) 107.548 no . . .
C(22) C(23) H(23A) 108.595 no . . .
C(22) C(23) H(23B) 108.581 no . . .
C(24) C(23) H(23A) 108.567 no . . .
C(24) C(23) H(23B) 108.568 no . . .
H(23A) C(23) H(23B) 107.562 no . . .
C(23) C(24) H(24A) 108.853 no . . .
C(23) C(24) H(24B) 108.848 no . . .
C(25) C(24) H(24A) 108.842 no . . .
C(25) C(24) H(24B) 108.843 no . . .
H(24A) C(24) H(24B) 107.695 no . . .
N(2) C(25) H(25A) 109.614 no . . .
N(2) C(25) H(25B) 109.616 no . . .
C(24) C(25) H(25A) 109.629 no . . .
C(24) C(25) H(25B) 109.639 no . . .
H(25A) C(25) H(25B) 108.141 no . . .
C(27) C(28) H(28) 119.902 no . . .
C(29) C(28) H(28) 119.887 no . . .
C(29) C(30) H(30) 121.271 no . . .
C(31) C(30) H(30) 121.267 no . . .
C(26) C(31) H(31) 118.628 no . . .
C(30) C(31) H(31) 118.624 no . . .
C(33) C(34) H(34) 119.615 no . . .
C(35) C(34) H(34) 119.626 no . . .
C(35) C(36) H(36) 121.267 no . . .
C(37) C(36) H(36) 121.265 no . . .
C(32) C(37) H(37) 118.993 no . . .
C(36) C(37) H(37) 118.989 no . . .
N(3) C(38) H(38) 116.767 no . . .
C(26) C(38) H(38) 116.761 no . . .
N(4) C(39) H(39) 116.280 no . . .
C(32) C(39) H(39) 116.298 no . . .
N(3) C(40) H(40A) 109.482 no . . .
N(3) C(40) H(40B) 109.470 no . . .
C(41) C(40) H(40A) 109.462 no . . .
C(41) C(40) H(40B) 109.461 no . . .
H(40A) C(40) H(40B) 108.051 no . . .
C(40) C(41) H(41A) 108.691 no . . .
C(40) C(41) H(41B) 108.691 no . . .
C(42) C(41) H(41A) 108.685 no . . .
C(42) C(41) H(41B) 108.679 no . . .
H(41A) C(41) H(41B) 107.607 no . . .
C(41) C(42) H(42A) 108.780 no . . .
C(41) C(42) H(42B) 108.781 no . . .
C(43) C(42) H(42A) 108.782 no . . .
C(43) C(42) H(42B) 108.777 no . . .
H(42A) C(42) H(42B) 107.661 no . . .
C(42) C(43) H(43A) 108.704 no . . .
C(42) C(43) H(43B) 108.698 no . . .
C(44) C(43) H(43A) 108.691 no . . .
C(44) C(43) H(43B) 108.706 no . . .
H(43A) C(43) H(43B) 107.603 no . . .
C(43) C(44) H(44A) 108.063 no . . .
C(43) C(44) H(44B) 108.046 no . . .
C(45) C(44) H(44A) 108.071 no . . .
C(45) C(44) H(44B) 108.057 no . . .
H(44A) C(44) H(44B) 107.280 no . . .
C(44) C(45) H(45A) 111.537 no . . .
C(44) C(45) H(45B) 111.556 no . . .
C(46) C(45) H(45A) 111.530 no . . .
C(46) C(45) H(45B) 111.546 no . . .
H(45A) C(45) H(45B) 109.352 no . . .
C(45) C(46) H(46A) 107.884 no . . .
C(45) C(46) H(46B) 107.870 no . . .
C(47) C(46) H(46A) 107.869 no . . .
C(47) C(46) H(46B) 107.869 no . . .
H(46A) C(46) H(46B) 107.178 no . . .
C(46) C(47) H(47A) 110.200 no . . .
C(46) C(47) H(47B) 110.190 no . . .
C(48) C(47) H(47A) 110.192 no . . .
C(48) C(47) H(47B) 110.201 no . . .
H(47A) C(47) H(47B) 108.508 no . . .
C(47) C(48) H(48A) 110.393 no . . .
C(47) C(48) H(48B) 110.395 no . . .
C(49) C(48) H(48A) 110.402 no . . .
C(49) C(48) H(48B) 110.397 no . . .
H(48A) C(48) H(48B) 108.606 no . . .
C(48) C(49) H(49A) 108.657 no . . .
C(48) C(49) H(49B) 108.661 no . . .
C(50) C(49) H(49A) 108.652 no . . .
C(50) C(49) H(49B) 108.666 no . . .
H(49A) C(49) H(49B) 107.602 no . . .
N(4) C(50) H(50A) 109.899 no . . .
N(4) C(50) H(50B) 109.914 no . . .
C(49) C(50) H(50A) 109.897 no . . .
C(49) C(50) H(50B) 109.886 no . . .
H(50A) C(50) H(50B) 108.292 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O(1) Pt(1) N(1) C(13) -10.8(4) no . . . .
O(1) Pt(1) N(1) C(15) 163.0(3) no . . . .
N(1) Pt(1) O(1) C(2) 19.0(4) no . . . .
O(1) Pt(1) N(2) C(14) 162.4(4) no . . . .
O(1) Pt(1) N(2) C(25) -29.0(3) no . . . .
N(2) Pt(1) O(1) C(2) -167.0(4) no . . . .
O(2) Pt(1) N(1) C(13) 165.6(4) no . . . .
O(2) Pt(1) N(1) C(15) -20.5(3) no . . . .
N(1) Pt(1) O(2) C(8) -160.7(4) no . . . .
O(2) Pt(1) N(2) C(14) -13.9(4) no . . . .
O(2) Pt(1) N(2) C(25) 154.7(3) no . . . .
N(2) Pt(1) O(2) C(8) 25.3(4) no . . . .
O(3) Pt(2) N(3) C(38) 18.5(4) no . . . .
O(3) Pt(2) N(3) C(40) -158.2(3) no . . . .
N(3) Pt(2) O(3) C(27) -27.8(4) no . . . .
O(3) Pt(2) N(4) C(39) -167.5(4) no . . . .
O(3) Pt(2) N(4) C(50) 23.2(4) no . . . .
N(4) Pt(2) O(3) C(27) 156.9(4) no . . . .
O(4) Pt(2) N(3) C(38) -159.1(4) no . . . .
O(4) Pt(2) N(3) C(40) 24.3(3) no . . . .
N(3) Pt(2) O(4) C(33) 169.4(4) no . . . .
O(4) Pt(2) N(4) C(39) 10.1(4) no . . . .
O(4) Pt(2) N(4) C(50) -159.2(4) no . . . .
N(4) Pt(2) O(4) C(33) -15.3(4) no . . . .
Pt(1) O(1) C(2) C(1) -15.6(8) no . . . .
Pt(1) O(1) C(2) C(3) 165.8(3) no . . . .
Pt(1) O(2) C(8) C(7) -21.0(8) no . . . .
Pt(1) O(2) C(8) C(9) 159.5(4) no . . . .
Pt(2) O(3) C(27) C(26) 20.9(8) no . . . .
Pt(2) O(3) C(27) C(28) -160.9(3) no . . . .
Pt(2) O(4) C(33) C(32) 11.4(8) no . . . .
Pt(2) O(4) C(33) C(34) -170.4(3) no . . . .
Pt(1) N(1) C(13) C(1) -1.3(8) no . . . .
Pt(1) N(1) C(15) C(16) -65.7(5) no . . . .
C(13) N(1) C(15) C(16) 108.6(6) no . . . .
C(15) N(1) C(13) C(1) -175.3(5) no . . . .
Pt(1) N(2) C(14) C(7) -2.8(9) no . . . .
Pt(1) N(2) C(25) C(24) -62.7(5) no . . . .
C(14) N(2) C(25) C(24) 106.8(6) no . . . .
C(25) N(2) C(14) C(7) -171.5(5) no . . . .
Pt(2) N(3) C(38) C(26) -2.1(8) no . . . .
Pt(2) N(3) C(40) C(41) 61.5(5) no . . . .
C(38) N(3) C(40) C(41) -115.4(5) no . . . .
C(40) N(3) C(38) C(26) 174.6(5) no . . . .
Pt(2) N(4) C(39) C(32) -0.9(9) no . . . .
Pt(2) N(4) C(50) C(49) 67.1(6) no . . . .
C(39) N(4) C(50) C(49) -103.0(6) no . . . .
C(50) N(4) C(39) C(32) 168.6(6) no . . . .
C(2) C(1) C(6) C(5) -1.1(9) no . . . .
C(6) C(1) C(2) O(1) -178.1(5) no . . . .
C(6) C(1) C(2) C(3) 0.5(8) no . . . .
C(2) C(1) C(13) N(1) 11.4(9) no . . . .
C(13) C(1) C(2) O(1) -1.9(9) no . . . .
C(13) C(1) C(2) C(3) 176.7(5) no . . . .
C(6) C(1) C(13) N(1) -172.3(5) no . . . .
C(13) C(1) C(6) C(5) -177.6(5) no . . . .
O(1) C(2) C(3) C(4) 178.7(5) no . . . .
C(1) C(2) C(3) C(4) -0.0(8) no . . . .
C(2) C(3) C(4) Cl(1) -178.0(5) no . . . .
C(2) C(3) C(4) C(5) 0.2(9) no . . . .
Cl(1) C(4) C(5) C(6) 177.4(4) no . . . .
C(3) C(4) C(5) C(6) -0.8(9) no . . . .
C(4) C(5) C(6) C(1) 1.3(9) no . . . .
C(8) C(7) C(12) C(11) -3.3(10) no . . . .
C(12) C(7) C(8) O(2) -178.0(6) no . . . .
C(12) C(7) C(8) C(9) 1.5(9) no . . . .
C(8) C(7) C(14) N(2) 16.1(10) no . . . .
C(14) C(7) C(8) O(2) -2.7(10) no . . . .
C(14) C(7) C(8) C(9) 176.8(5) no . . . .
C(12) C(7) C(14) N(2) -168.5(6) no . . . .
C(14) C(7) C(12) C(11) -178.9(6) no . . . .
O(2) C(8) C(9) C(10) -179.1(5) no . . . .
C(7) C(8) C(9) C(10) 1.4(9) no . . . .
C(8) C(9) C(10) Cl(2) 176.9(5) no . . . .
C(8) C(9) C(10) C(11) -2.8(10) no . . . .
Cl(2) C(10) C(11) C(12) -178.6(4) no . . . .
C(9) C(10) C(11) C(12) 1.1(10) no . . . .
C(10) C(11) C(12) C(7) 2.0(10) no . . . .
N(1) C(15) C(16) C(17) -66.4(6) no . . . .
C(15) C(16) C(17) C(18) 176.1(5) no . . . .
C(16) C(17) C(18) C(19) -66.3(8) no . . . .
C(17) C(18) C(19) C(20) -56.0(10) no . . . .
C(18) C(19) C(20) C(21) -168.9(7) no . . . .
C(19) C(20) C(21) C(22) -68.9(12) no . . . .
C(20) C(21) C(22) C(23) -44.6(12) no . . . .
C(21) C(22) C(23) C(24) -52.4(9) no . . . .
C(22) C(23) C(24) C(25) -169.2(6) no . . . .
C(23) C(24) C(25) N(2) -48.4(7) no . . . .
C(27) C(26) C(31) C(30) 1.2(9) no . . . .
C(31) C(26) C(27) O(3) 179.7(5) no . . . .
C(31) C(26) C(27) C(28) 1.6(8) no . . . .
C(27) C(26) C(38) N(3) -14.5(10) no . . . .
C(38) C(26) C(27) O(3) 4.0(10) no . . . .
C(38) C(26) C(27) C(28) -174.2(5) no . . . .
C(31) C(26) C(38) N(3) 169.7(6) no . . . .
C(38) C(26) C(31) C(30) 177.2(5) no . . . .
O(3) C(27) C(28) C(29) 177.8(5) no . . . .
C(26) C(27) C(28) C(29) -3.9(9) no . . . .
C(27) C(28) C(29) Cl(3) -175.6(5) no . . . .
C(27) C(28) C(29) C(30) 3.6(10) no . . . .
Cl(3) C(29) C(30) C(31) 178.4(4) no . . . .
C(28) C(29) C(30) C(31) -0.9(10) no . . . .
C(29) C(30) C(31) C(26) -1.5(9) no . . . .
C(33) C(32) C(37) C(36) 1.5(9) no . . . .
C(37) C(32) C(33) O(4) 177.5(5) no . . . .
C(37) C(32) C(33) C(34) -0.7(8) no . . . .
C(33) C(32) C(39) N(4) -8.4(10) no . . . .
C(39) C(32) C(33) O(4) 2.7(9) no . . . .
C(39) C(32) C(33) C(34) -175.5(5) no . . . .
C(37) C(32) C(39) N(4) 176.6(6) no . . . .
C(39) C(32) C(37) C(36) 176.7(5) no . . . .
O(4) C(33) C(34) C(35) -178.5(5) no . . . .
C(32) C(33) C(34) C(35) -0.2(8) no . . . .
C(33) C(34) C(35) Cl(4) -179.0(5) no . . . .
C(33) C(34) C(35) C(36) 0.3(9) no . . . .
Cl(4) C(35) C(36) C(37) 179.9(4) no . . . .
C(34) C(35) C(36) C(37) 0.6(9) no . . . .
C(35) C(36) C(37) C(32) -1.5(9) no . . . .
N(3) C(40) C(41) C(42) 62.9(6) no . . . .
C(40) C(41) C(42) C(43) 176.0(5) no . . . .
C(41) C(42) C(43) C(44) 65.2(9) no . . . .
C(42) C(43) C(44) C(45) 57.7(9) no . . . .
C(43) C(44) C(45) C(46) 179.7(6) no . . . .
C(44) C(45) C(46) C(47) 152.8(12) no . . . .
C(45) C(46) C(47) C(48) -62.2(17) no . . . .
C(46) C(47) C(48) C(49) 121.6(12) no . . . .
C(47) C(48) C(49) C(50) 164.2(8) no . . . .
C(48) C(49) C(50) N(4) 40.4(9) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt(1) C(1) 3.311(6) no . .
Pt(1) C(7) 3.294(6) no . .
Pt(1) C(16) 3.479(6) no . .
Pt(1) C(24) 3.416(6) no . .
Pt(2) C(26) 3.296(6) no . .
Pt(2) C(32) 3.322(6) no . .
Pt(2) C(41) 3.428(7) no . .
Pt(2) C(49) 3.460(8) no . .
O(1) C(4) 3.572(7) no . .
O(1) C(13) 2.972(7) no . .
O(1) C(24) 3.227(7) no . .
O(1) C(25) 2.830(8) no . .
O(2) C(10) 3.584(8) no . .
O(2) C(14) 2.958(8) no . .
O(2) C(15) 2.837(8) no . .
O(2) C(16) 3.165(8) no . .
O(3) C(29) 3.587(8) no . .
O(3) C(38) 2.971(8) no . .
O(3) C(49) 3.235(11) no . .
O(3) C(50) 2.843(9) no . .
O(4) C(35) 3.564(8) no . .
O(4) C(39) 2.962(7) no . .
O(4) C(40) 2.804(7) no . .
O(4) C(41) 3.110(8) no . .
N(1) C(2) 3.014(8) no . .
N(1) C(17) 3.084(9) no . .
N(2) C(8) 2.994(8) no . .
N(2) C(23) 2.883(10) no . .
N(3) C(27) 3.027(8) no . .
N(3) C(42) 3.042(9) no . .
N(4) C(33) 3.003(8) no . .
N(4) C(48) 2.850(12) no . .
C(1) C(4) 2.776(9) no . .
C(2) C(5) 2.837(9) no . .
C(3) C(6) 2.784(9) no . .
C(7) C(10) 2.765(9) no . .
C(8) C(11) 2.843(9) no . .
C(9) C(12) 2.764(9) no . .
C(13) C(16) 3.342(9) no . .
C(13) C(17) 3.462(10) no . .
C(14) C(23) 3.285(10) no . .
C(14) C(24) 3.324(9) no . .
C(16) C(19) 3.223(13) no . .
C(17) C(20) 3.082(13) no . .
C(19) C(22) 3.283(14) no . .
C(20) C(23) 3.214(13) no . .
C(20) C(24) 3.527(12) no . .
C(21) C(24) 3.049(11) no . .
C(26) C(29) 2.772(9) no . .
C(27) C(30) 2.835(9) no . .
C(28) C(31) 2.760(9) no . .
C(32) C(35) 2.775(9) no . .
C(33) C(36) 2.843(9) no . .
C(34) C(37) 2.769(9) no . .
C(38) C(41) 3.414(9) no . .
C(38) C(42) 3.546(10) no . .
C(39) C(48) 3.212(13) no . .
C(39) C(49) 3.288(10) no . .
C(41) C(44) 3.168(9) no . .
C(42) C(45) 3.115(14) no . .
C(44) C(47) 3.590(16) no . .
C(45) C(48) 2.945(16) no . .
C(45) C(49) 3.579(14) no . .
C(46) C(49) 3.410(18) no . .
Pt(1) Pt(2) 3.5208(3) no . .
Pt(2) Pt(1) 3.5208(3) no . .
Cl(1) C(32) 3.549(6) no . 6_455
Cl(1) C(33) 3.443(6) no . 6_455
Cl(1) C(34) 3.596(6) no . 6_455
Cl(4) C(47) 3.511(15) no . 2_655
O(1) N(3) 3.495(7) no . .
O(1) C(38) 3.573(8) no . .
O(2) N(4) 3.598(7) no . .
O(3) C(7) 3.519(8) no . .
O(3) C(14) 3.537(8) no . .
O(4) N(1) 3.482(6) no . .
O(4) C(1) 3.590(7) no . .
O(4) C(13) 3.481(7) no . .
N(1) O(4) 3.482(6) no . .
N(1) C(33) 3.296(8) no . .
N(1) C(34) 3.500(8) no . .
N(2) C(26) 3.568(8) no . .
N(2) C(27) 3.419(8) no . .
N(3) O(1) 3.495(7) no . .
N(3) C(2) 3.569(8) no . .
N(4) O(2) 3.598(7) no . .
N(4) C(8) 3.410(8) no . .
N(4) C(9) 3.492(8) no . .
C(1) O(4) 3.590(7) no . .
C(2) N(3) 3.569(8) no . .
C(2) C(40) 3.597(9) no . .
C(3) C(40) 3.536(9) no . .
C(3) C(41) 3.531(9) no . 6_455
C(5) C(25) 3.551(9) no . 6_555
C(7) O(3) 3.519(8) no . .
C(8) N(4) 3.410(8) no . .
C(9) N(4) 3.492(8) no . .
C(9) C(39) 3.509(9) no . .
C(9) C(50) 3.550(10) no . .
C(10) C(50) 3.545(10) no . .
C(13) O(4) 3.481(7) no . .
C(13) C(33) 3.373(8) no . .
C(13) C(34) 3.148(8) no . .
C(14) O(3) 3.537(8) no . .
C(14) C(27) 3.286(9) no . .
C(14) C(28) 3.266(9) no . .
C(25) C(5) 3.551(9) no . 6_455
C(26) N(2) 3.568(8) no . .
C(27) N(2) 3.419(8) no . .
C(27) C(14) 3.286(9) no . .
C(28) C(14) 3.266(9) no . .
C(32) Cl(1) 3.549(6) no . 6_555
C(33) Cl(1) 3.443(6) no . 6_555
C(33) N(1) 3.296(8) no . .
C(33) C(13) 3.373(8) no . .
C(34) Cl(1) 3.596(6) no . 6_555
C(34) N(1) 3.500(8) no . .
C(34) C(13) 3.148(8) no . .
C(38) O(1) 3.573(8) no . .
C(39) C(9) 3.509(9) no . .
C(40) C(2) 3.597(9) no . .
C(40) C(3) 3.536(9) no . .
C(41) C(3) 3.531(9) no . 6_555
C(47) Cl(4) 3.511(15) no . 2_645
C(50) C(9) 3.550(10) no . .
C(50) C(10) 3.545(10) no . .
Pt(1) H(15B) 3.1421 no . .
Pt(1) H(16A) 2.9996 no . .
Pt(1) H(20A) 3.5164 no . .
Pt(1) H(23A) 3.1804 no . .
Pt(1) H(24A) 3.0759 no . .
Pt(1) H(25B) 3.1524 no . .
Pt(2) H(40A) 3.1746 no . .
Pt(2) H(41B) 2.9612 no . .
Pt(2) H(42B) 3.5864 no . .
Pt(2) H(45B) 3.5910 no . .
Pt(2) H(48A) 3.1622 no . .
Pt(2) H(49A) 3.2098 no . .
Pt(2) H(50A) 3.1276 no . .
Cl(1) H(3) 2.7848 no . .
Cl(1) H(5) 2.8158 no . .
Cl(2) H(9) 2.7949 no . .
Cl(2) H(11) 2.8001 no . .
Cl(3) H(28) 2.7895 no . .
Cl(3) H(30) 2.7947 no . .
Cl(4) H(34) 2.7771 no . .
Cl(4) H(36) 2.8051 no . .
O(1) H(3) 2.5042 no . .
O(1) H(24A) 2.6621 no . .
O(1) H(25B) 2.3535 no . .
O(2) H(9) 2.5074 no . .
O(2) H(15B) 2.3862 no . .
O(2) H(16A) 2.6042 no . .
O(2) H(16B) 3.5924 no . .
O(2) H(23A) 3.4777 no . .
O(3) H(28) 2.5213 no . .
O(3) H(49A) 2.6756 no . .
O(3) H(50A) 2.3539 no . .
O(4) H(34) 2.4891 no . .
O(4) H(40A) 2.3795 no . .
O(4) H(41A) 3.5947 no . .
O(4) H(41B) 2.5232 no . .
O(4) H(48A) 3.5403 no . .
N(1) H(16A) 2.6351 no . .
N(1) H(16B) 3.3158 no . .
N(1) H(17A) 2.7335 no . .
N(1) H(17B) 3.4610 no . .
N(2) H(23A) 2.6251 no . .
N(2) H(23B) 2.9703 no . .
N(2) H(24A) 2.7678 no . .
N(2) H(24B) 3.3172 no . .
N(3) H(41A) 3.3130 no . .
N(3) H(41B) 2.6544 no . .
N(3) H(42A) 3.3069 no . .
N(3) H(42B) 2.7368 no . .
N(4) H(48A) 2.7213 no . .
N(4) H(48B) 2.8659 no . .
N(4) H(49A) 2.8249 no . .
N(4) H(49B) 3.3003 no . .
C(1) H(3) 3.2983 no . .
C(1) H(5) 3.2977 no . .
C(2) H(6) 3.2861 no . .
C(2) H(13) 3.3283 no . .
C(2) H(25B) 3.4848 no . .
C(3) H(5) 3.2946 no . .
C(4) H(6) 3.2455 no . .
C(5) H(3) 3.2931 no . .
C(6) H(13) 2.5254 no . .
C(7) H(9) 3.2803 no . .
C(7) H(11) 3.3041 no . .
C(8) H(12) 3.2886 no . .
C(8) H(14) 3.3169 no . .
C(8) H(15B) 3.4950 no . .
C(9) H(11) 3.2840 no . .
C(10) H(12) 3.2176 no . .
C(11) H(9) 3.2759 no . .
C(12) H(14) 2.5457 no . .
C(13) H(6) 2.5459 no . .
C(13) H(15A) 2.4024 no . .
C(13) H(15B) 3.0462 no . .
C(13) H(17A) 2.9079 no . .
C(14) H(12) 2.5607 no . .
C(14) H(23A) 2.9949 no . .
C(14) H(23B) 3.0134 no . .
C(14) H(25A) 2.4211 no . .
C(14) H(25B) 3.0607 no . .
C(15) H(13) 2.4181 no . .
C(15) H(17A) 2.7265 no . .
C(15) H(17B) 2.7823 no . .
C(16) H(13) 3.4247 no . .
C(16) H(18A) 3.3984 no . .
C(16) H(18B) 2.7303 no . .
C(16) H(19A) 2.9587 no . .
C(16) H(20A) 3.3126 no . .
C(17) H(13) 3.4048 no . .
C(17) H(15A) 2.7345 no . .
C(17) H(15B) 3.4005 no . .
C(17) H(19A) 2.8809 no . .
C(17) H(19B) 3.4673 no . .
C(17) H(20A) 2.8249 no . .
C(17) H(20B) 3.1901 no . .
C(18) H(16A) 2.7207 no . .
C(18) H(16B) 2.7774 no . .
C(18) H(20A) 2.7889 no . .
C(18) H(20B) 2.6230 no . .
C(19) H(16A) 2.8454 no . .
C(19) H(16B) 3.5732 no . .
C(19) H(17A) 2.8006 no . .
C(19) H(17B) 3.4686 no . .
C(19) H(21A) 2.5846 no . .
C(19) H(21B) 3.2654 no . .
C(19) H(22B) 3.1786 no . .
C(19) H(23A) 3.3927 no . .
C(20) H(16A) 3.3430 no . .
C(20) H(17A) 2.7393 no . .
C(20) H(18A) 2.7682 no . .
C(20) H(18B) 3.3454 no . .
C(20) H(22A) 3.4744 no . .
C(20) H(22B) 3.0478 no . .
C(20) H(23A) 3.0317 no . .
C(20) H(24A) 2.9300 no . .
C(21) H(19A) 2.7233 no . .
C(21) H(19B) 2.5561 no . .
C(21) H(23A) 2.8284 no . .
C(21) H(23B) 3.3819 no . .
C(21) H(24A) 2.8155 no . .
C(21) H(24B) 3.1484 no . .
C(22) H(19A) 3.0756 no . .
C(22) H(19B) 3.3932 no . .
C(22) H(20A) 2.9146 no . .
C(22) H(20B) 3.4798 no . .
C(22) H(24A) 2.8338 no . .
C(22) H(24B) 2.6811 no . .
C(23) H(14) 3.3787 no . .
C(23) H(19A) 3.4020 no . .
C(23) H(20A) 2.9176 no . .
C(23) H(21A) 3.3609 no . .
C(23) H(21B) 2.8617 no . .
C(23) H(25A) 2.8437 no . .
C(23) H(25B) 3.3766 no . .
C(24) H(14) 3.4315 no . .
C(24) H(20A) 2.9866 no . .
C(24) H(21B) 2.8820 no . .
C(24) H(22A) 2.8344 no . .
C(24) H(22B) 3.3914 no . .
C(25) H(14) 2.4325 no . .
C(25) H(23A) 2.8018 no . .
C(25) H(23B) 2.6471 no . .
C(26) H(28) 3.2952 no . .
C(26) H(30) 3.2991 no . .
C(27) H(31) 3.2887 no . .
C(27) H(38) 3.3403 no . .
C(27) H(50A) 3.4575 no . .
C(28) H(30) 3.2723 no . .
C(29) H(31) 3.2124 no . .
C(30) H(28) 3.2646 no . .
C(31) H(38) 2.5567 no . .
C(32) H(34) 3.2889 no . .
C(32) H(36) 3.3085 no . .
C(33) H(37) 3.3002 no . .
C(33) H(39) 3.3281 no . .
C(33) H(40A) 3.4780 no . .
C(33) H(41B) 3.4992 no . .
C(34) H(36) 3.2748 no . .
C(35) H(37) 3.2298 no . .
C(36) H(34) 3.2678 no . .
C(37) H(39) 2.5415 no . .
C(38) H(31) 2.5655 no . .
C(38) H(40A) 3.0361 no . .
C(38) H(40B) 2.4221 no . .
C(38) H(42A) 3.5245 no . .
C(38) H(42B) 3.1050 no . .
C(39) H(37) 2.5764 no . .
C(39) H(48A) 3.1113 no . .
C(39) H(48B) 2.8315 no . .
C(39) H(50A) 3.0824 no . .
C(39) H(50B) 2.4273 no . .
C(40) H(38) 2.4599 no . .
C(40) H(42A) 2.7175 no . .
C(40) H(42B) 2.7742 no . .
C(41) H(38) 3.5482 no . .
C(41) H(43A) 3.4034 no . .
C(41) H(43B) 2.7468 no . .
C(41) H(44B) 2.8679 no . .
C(41) H(45B) 3.3662 no . .
C(42) H(38) 3.5961 no . .
C(42) H(40A) 3.3955 no . .
C(42) H(40B) 2.7516 no . .
C(42) H(44A) 3.4100 no . .
C(42) H(44B) 2.7956 no . .
C(42) H(45A) 3.4463 no . .
C(42) H(45B) 2.8377 no . .
C(43) H(41A) 2.7255 no . .
C(43) H(41B) 2.7832 no . .
C(43) H(45A) 2.7985 no . .
C(43) H(45B) 2.8024 no . .
C(44) H(41A) 3.4198 no . .
C(44) H(41B) 2.8598 no . .
C(44) H(42A) 3.4077 no . .
C(44) H(42B) 2.7540 no . .
C(44) H(46A) 2.7089 no . .
C(44) H(46B) 2.2898 no . .
C(44) H(48A) 3.2511 no . .
C(45) H(41B) 3.3442 no . .
C(45) H(42B) 2.7828 no . .
C(45) H(43A) 2.7898 no . .
C(45) H(43B) 3.3639 no . .
C(45) H(47A) 3.3673 no . .
C(45) H(47B) 2.7219 no . .
C(45) H(48A) 2.5588 no . .
C(45) H(49A) 3.1383 no . .
C(46) H(44A) 2.4493 no . .
C(46) H(44B) 2.4544 no . .
C(46) H(48A) 2.2965 no . .
C(46) H(48B) 2.9799 no . .
C(46) H(49A) 3.3912 no . .
C(47) H(44B) 3.5855 no . .
C(47) H(45A) 2.9790 no . .
C(47) H(45B) 2.6591 no . .
C(47) H(49A) 2.7455 no . .
C(47) H(49B) 2.5069 no . .
C(48) H(39) 3.3655 no . .
C(48) H(45B) 2.5924 no . .
C(48) H(46A) 3.1932 no . .
C(48) H(46B) 2.4820 no . .
C(48) H(50A) 3.4344 no . .
C(48) H(50B) 2.9734 no . .
C(49) H(39) 3.3966 no . .
C(49) H(45B) 2.9600 no . .
C(49) H(47A) 3.1075 no . .
C(49) H(47B) 2.3594 no . .
C(50) H(39) 2.4267 no . .
C(50) H(48A) 2.9489 no . .
C(50) H(48B) 2.7309 no . .
H(28) H(50A) 3.3347 no . .
H(30) H(31) 2.3229 no . .
H(31) H(38) 2.3315 no . .
H(34) H(40A) 3.2926 no . .
H(36) H(37) 2.3368 no . .
H(37) H(39) 2.3197 no . .
H(38) H(40A) 3.1486 no . .
H(38) H(40B) 2.1085 no . .
H(38) H(42A) 3.3161 no . .
H(38) H(42B) 3.3328 no . .
H(39) H(48A) 3.5205 no . .
H(39) H(48B) 2.7806 no . .
H(39) H(50A) 3.1990 no . .
H(39) H(50B) 2.0994 no . .
H(40A) H(41A) 2.3346 no . .
H(40A) H(41B) 2.3768 no . .
H(40B) H(41A) 2.3849 no . .
H(40B) H(41B) 2.8663 no . .
H(40B) H(42A) 2.5397 no . .
H(40B) H(42B) 3.0656 no . .
H(41A) H(42A) 2.3938 no . .
H(41A) H(42B) 2.8579 no . .
H(41A) H(43A) 3.5953 no . .
H(41A) H(43B) 2.5265 no . .
H(41A) H(44B) 3.0263 no . .
H(41B) H(42A) 2.8580 no . .
H(41B) H(42B) 2.3473 no . .
H(41B) H(43B) 3.0500 no . .
H(41B) H(44B) 2.3502 no . .
H(41B) H(45B) 2.8801 no . .
H(41B) H(48A) 3.1342 no . .
H(42A) H(43A) 2.3354 no . .
H(42A) H(43B) 2.4087 no . .
H(42B) H(43A) 2.4097 no . .
H(42B) H(43B) 2.8808 no . .
H(42B) H(44B) 3.0731 no . .
H(42B) H(45A) 3.0185 no . .
H(42B) H(45B) 2.2935 no . .
H(43A) H(44A) 2.3328 no . .
H(43A) H(44B) 2.8508 no . .
H(43A) H(45A) 2.6799 no . .
H(43A) H(45B) 3.1516 no . .
H(43B) H(44A) 2.3353 no . .
H(43B) H(44B) 2.3267 no . .
H(44A) H(45A) 2.3381 no . .
H(44A) H(45B) 2.8345 no . .
H(44A) H(46A) 2.4570 no . .
H(44A) H(46B) 2.3694 no . .
H(44B) H(45A) 2.8346 no . .
H(44B) H(45B) 2.3348 no . .
H(44B) H(46A) 3.0099 no . .
H(44B) H(46B) 2.0295 no . .
H(44B) H(48A) 2.8636 no . .
H(45A) H(46A) 2.2936 no . .
H(45A) H(46B) 2.8626 no . .
H(45A) H(47B) 2.8729 no . .
H(45A) H(48A) 3.4094 no . .
H(45A) H(49A) 3.4308 no . .
H(45B) H(46A) 2.8797 no . .
H(45B) H(46B) 2.5781 no . .
H(45B) H(47B) 2.8156 no . .
H(45B) H(48A) 2.1040 no . .
H(45B) H(48B) 3.5276 no . .
H(45B) H(49A) 2.4068 no . .
H(45B) H(49B) 3.5845 no . .
H(46A) H(47A) 2.2053 no . .
H(46A) H(47B) 2.2583 no . .
H(46A) H(48A) 3.2757 no . .
H(46B) H(47A) 2.2329 no . .
H(46B) H(47B) 2.7585 no . .
H(46B) H(48A) 2.2401 no . .
H(46B) H(48B) 2.9034 no . .
H(47A) H(48A) 2.7243 no . .
H(47A) H(48B) 2.1884 no . .
H(47A) H(49A) 3.5871 no . .
H(47A) H(49B) 2.9869 no . .
H(47B) H(48A) 2.7085 no . .
H(47B) H(48B) 2.7226 no . .
H(47B) H(49A) 2.4952 no . .
H(47B) H(49B) 2.1283 no . .
H(48A) H(49A) 2.3373 no . .
H(48A) H(49B) 2.8877 no . .
H(48A) H(50B) 3.4896 no . .
H(48B) H(49A) 2.8923 no . .
H(48B) H(49B) 2.5093 no . .
H(48B) H(50B) 2.7884 no . .
H(49A) H(50A) 2.2917 no . .
H(49A) H(50B) 2.8683 no . .
H(49B) H(50A) 2.4960 no . .
H(49B) H(50B) 2.3014 no . .
H(3) H(25B) 3.3438 no . .
H(5) H(6) 2.3325 no . .
H(6) H(13) 2.2912 no . .
H(9) H(15B) 3.3437 no . .
H(11) H(12) 2.3279 no . .
H(12) H(14) 2.3206 no . .
H(13) H(15A) 2.0719 no . .
H(13) H(15B) 3.1664 no . .
H(13) H(17A) 2.9893 no . .
H(13) H(17B) 3.2752 no . .
H(14) H(23A) 3.3336 no . .
H(14) H(23B) 2.8622 no . .
H(14) H(25A) 2.0982 no . .
H(14) H(25B) 3.1823 no . .
H(15A) H(16A) 2.8696 no . .
H(15A) H(16B) 2.4101 no . .
H(15A) H(17A) 2.9477 no . .
H(15A) H(17B) 2.5863 no . .
H(15B) H(16A) 2.4017 no . .
H(15B) H(16B) 2.3215 no . .
H(16A) H(17A) 2.3976 no . .
H(16A) H(17B) 2.8620 no . .
H(16A) H(18B) 2.9411 no . .
H(16A) H(19A) 2.3510 no . .
H(16A) H(20A) 2.8379 no . .
H(16A) H(23A) 3.2654 no . .
H(16B) H(17A) 2.8618 no . .
H(16B) H(17B) 2.3524 no . .
H(16B) H(18B) 2.5703 no . .
H(16B) H(19A) 3.2384 no . .
H(17A) H(18A) 2.4153 no . .
H(17A) H(18B) 2.8786 no . .
H(17A) H(19A) 3.1377 no . .
H(17A) H(20A) 2.3049 no . .
H(17A) H(20B) 2.7358 no . .
H(17B) H(18A) 2.3265 no . .
H(17B) H(18B) 2.4112 no . .
H(18A) H(19A) 2.9000 no . .
H(18A) H(19B) 2.3814 no . .
H(18A) H(20A) 3.1856 no . .
H(18A) H(20B) 2.5075 no . .
H(18B) H(19A) 2.3863 no . .
H(18B) H(19B) 2.4110 no . .
H(18B) H(20B) 3.5356 no . .
H(19A) H(20A) 2.2478 no . .
H(19A) H(20B) 2.8048 no . .
H(19A) H(21A) 2.9733 no . .
H(19A) H(22B) 2.8118 no . .
H(19A) H(23A) 2.7946 no . .
H(19B) H(20A) 2.8042 no . .
H(19B) H(20B) 2.3767 no . .
H(19B) H(21A) 2.2879 no . .
H(19B) H(21B) 3.4013 no . .
H(19B) H(22B) 3.1315 no . .
H(20A) H(21A) 2.8475 no . .
H(20A) H(21B) 2.4035 no . .
H(20A) H(22B) 3.3752 no . .
H(20A) H(23A) 2.6139 no . .
H(20A) H(24A) 2.2658 no . .
H(20A) H(24B) 3.5573 no . .
H(20B) H(21A) 2.3689 no . .
H(20B) H(21B) 2.2588 no . .
H(20B) H(24A) 3.4347 no . .
H(21A) H(22A) 2.3465 no . .
H(21A) H(22B) 2.2125 no . .
H(21B) H(22A) 2.1916 no . .
H(21B) H(22B) 2.7916 no . .
H(21B) H(23A) 3.3221 no . .
H(21B) H(24A) 2.5899 no . .
H(21B) H(24B) 2.7358 no . .
H(22A) H(23A) 2.8641 no . .
H(22A) H(23B) 2.3233 no . .
H(22A) H(24A) 3.2590 no . .
H(22A) H(24B) 2.6013 no . .
H(22B) H(23A) 2.3237 no . .
H(22B) H(23B) 2.3892 no . .
H(23A) H(24A) 2.2976 no . .
H(23A) H(24B) 2.8431 no . .
H(23A) H(25A) 3.2662 no . .
H(23B) H(24A) 2.8426 no . .
H(23B) H(24B) 2.4225 no . .
H(23B) H(25A) 2.6050 no . .
H(23B) H(25B) 3.5882 no . .
H(24A) H(25A) 2.8653 no . .
H(24A) H(25B) 2.3100 no . .
H(24B) H(25A) 2.3171 no . .
H(24B) H(25B) 2.4291 no . .
Cl(1) H(44B) 3.5388 no . 6_455
Cl(1) H(46B) 3.3267 no . 6_455
Cl(1) H(48A) 3.2855 no . 6_455
Cl(1) H(48B) 3.4877 no . 6_455
Cl(1) H(22A) 3.1852 no . 6_555
Cl(1) H(23B) 3.5074 no . 6_555
Cl(1) H(24B) 2.9057 no . 6_555
Cl(2) H(47A) 3.0420 no . 8_455
Cl(2) H(48B) 3.3973 no . 8_455
Cl(2) H(50B) 3.4452 no . .
Cl(2) H(14) 2.9855 no . 8_555
Cl(2) H(23B) 3.2245 no . 8_555
Cl(2) H(25A) 3.5065 no . 8_555
Cl(3) H(6) 3.2363 no . 2_545
Cl(3) H(13) 2.9779 no . 2_545
Cl(3) H(17B) 3.5751 no . 2_545
Cl(4) H(31) 3.2070 no . 6_555
Cl(4) H(38) 3.2201 no . 6_555
Cl(4) H(46A) 3.2444 no . 2_655
Cl(4) H(47A) 3.1940 no . 2_655
Cl(4) H(47B) 3.0806 no . 2_655
Cl(4) H(21A) 3.5741 no . 1_655
Cl(4) H(21B) 3.5697 no . 1_655
O(1) H(41A) 2.8212 no . 6_455
O(2) H(37) 3.2574 no . 8_455
O(2) H(22B) 3.5568 no . 8_555
O(3) H(43A) 2.9587 no . 5_655
O(4) H(3) 3.4627 no . 6_555
N(3) H(45A) 3.5802 no . 5_655
C(1) H(34) 3.2911 no . .
C(1) H(40A) 3.1083 no . .
C(1) H(43B) 3.3712 no . 6_455
C(1) H(44B) 3.4973 no . 6_455
C(2) H(40A) 3.0230 no . .
C(2) H(41A) 3.0084 no . 6_455
C(2) H(43B) 3.3922 no . 6_455
C(2) H(44B) 3.4218 no . 6_455
C(3) H(38) 3.5390 no . .
C(3) H(40A) 3.1417 no . .
C(3) H(40B) 3.2386 no . .
C(3) H(41A) 3.0120 no . 6_455
C(3) H(41B) 3.0949 no . 6_455
C(3) H(44B) 3.0674 no . 6_455
C(4) H(40A) 3.3256 no . .
C(4) H(40B) 3.4202 no . .
C(4) H(41B) 3.5374 no . 6_455
C(4) H(44B) 2.7880 no . 6_455
C(4) H(46B) 3.3104 no . 6_455
C(4) H(24B) 2.9990 no . 6_555
C(5) H(30) 3.2607 no . 6_555
C(5) H(40A) 3.4285 no . .
C(5) H(44A) 3.4448 no . 6_455
C(5) H(44B) 2.9060 no . 6_455
C(5) H(46B) 3.0962 no . 6_455
C(5) H(24B) 3.1906 no . 6_555
C(5) H(25A) 2.9853 no . 6_555
C(5) H(25B) 3.4287 no . 6_555
C(6) H(30) 3.2727 no . 6_555
C(6) H(31) 3.4298 no . 6_555
C(6) H(34) 3.2140 no . .
C(6) H(40A) 3.3119 no . .
C(6) H(44A) 3.3733 no . 6_455
C(6) H(44B) 3.2343 no . 6_455
C(7) H(28) 3.5460 no . .
C(7) H(37) 3.5712 no . 8_455
C(7) H(39) 3.5538 no . 8_455
C(7) H(50A) 3.3034 no . .
C(8) H(37) 3.1838 no . 8_455
C(8) H(50A) 3.4082 no . .
C(9) H(37) 3.5801 no . 8_455
C(9) H(39) 3.3270 no . .
C(9) H(50A) 3.3547 no . .
C(9) H(50B) 3.2588 no . .
C(9) H(23B) 3.1002 no . 8_555
C(10) H(48B) 3.1048 no . 8_455
C(10) H(50A) 3.1885 no . .
C(10) H(50B) 3.1054 no . .
C(11) H(47A) 3.3908 no . 8_455
C(11) H(48B) 2.8372 no . 8_455
C(11) H(50A) 3.1355 no . .
C(11) H(18A) 3.1697 no . 2_545
C(11) H(18B) 3.3696 no . 2_545
C(12) H(28) 3.1621 no . .
C(12) H(39) 3.4217 no . 8_455
C(12) H(48B) 3.5785 no . 8_455
C(12) H(50A) 3.1881 no . .
C(12) H(50B) 3.5624 no . 8_455
C(12) H(18A) 3.5132 no . 2_545
C(13) H(34) 3.0277 no . .
C(14) H(28) 3.4256 no . .
C(15) H(22B) 3.1062 no . 8_555
C(16) H(36) 2.9618 no . 8_455
C(16) H(21A) 3.5540 no . 8_555
C(16) H(22B) 3.1158 no . 8_555
C(17) H(28) 3.2712 no . 2_555
C(18) H(36) 3.4123 no . 8_455
C(18) H(11) 3.1765 no . 2_555
C(19) H(36) 3.2878 no . 8_455
C(20) H(42A) 3.0372 no . 6_455
C(20) H(43B) 3.2830 no . 6_455
C(20) H(49B) 3.3945 no . 2_555
C(21) H(42A) 3.1296 no . 6_455
C(21) H(16B) 3.2920 no . 8_455
C(22) H(36) 3.4668 no . 1_455
C(22) H(9) 3.1863 no . 8_455
C(22) H(15B) 3.4318 no . 8_455
C(22) H(16B) 3.1364 no . 8_455
C(23) H(9) 3.0176 no . 8_455
C(24) H(40B) 3.2456 no . 6_455
C(24) H(41A) 3.0776 no . 6_455
C(25) H(5) 3.0473 no . 6_455
C(26) H(44A) 3.3760 no . 5_655
C(26) H(45A) 3.1119 no . 5_655
C(26) H(46A) 3.4249 no . 5_655
C(26) H(25B) 3.1974 no . .
C(27) H(43A) 3.0764 no . 5_655
C(27) H(44A) 3.2463 no . 5_655
C(27) H(45A) 3.4284 no . 5_655
C(27) H(14) 3.3867 no . .
C(28) H(43A) 3.2259 no . 5_655
C(28) H(44A) 3.0649 no . 5_655
C(28) H(12) 3.2663 no . .
C(28) H(14) 2.9993 no . .
C(29) H(44A) 3.1079 no . 5_655
C(29) H(14) 3.2100 no . .
C(29) H(25A) 3.4762 no . .
C(30) H(30) 3.1718 no . 5_555
C(30) H(44A) 3.2720 no . 5_655
C(30) H(46A) 3.5190 no . 5_655
C(30) H(5) 3.0516 no . 6_455
C(30) H(6) 3.2077 no . 6_455
C(30) H(25A) 3.2650 no . .
C(31) H(44A) 3.3608 no . 5_655
C(31) H(46A) 3.0097 no . 5_655
C(31) H(5) 3.5579 no . 6_455
C(31) H(6) 3.2221 no . 6_455
C(31) H(25A) 3.3802 no . .
C(31) H(25B) 3.1011 no . .
C(32) H(15B) 3.0742 no . .
C(33) H(3) 3.5260 no . 6_555
C(33) H(13) 3.5507 no . .
C(33) H(15B) 3.4159 no . .
C(34) H(3) 3.1291 no . 6_555
C(34) H(13) 2.9660 no . .
C(34) H(15A) 3.4466 no . .
C(35) H(13) 3.3605 no . .
C(35) H(15A) 3.2791 no . .
C(35) H(22A) 3.3868 no . 1_655
C(36) H(15A) 3.4018 no . .
C(36) H(15B) 3.5268 no . .
C(36) H(16A) 3.3318 no . 8_555
C(36) H(16B) 3.4361 no . 8_555
C(36) H(19A) 2.9939 no . 8_555
C(36) H(22A) 2.9809 no . 1_655
C(37) H(15B) 3.1526 no . .
C(37) H(19A) 3.3397 no . 8_555
C(37) H(22A) 3.5995 no . 1_655
C(38) H(45A) 3.0872 no . 5_655
C(38) H(3) 3.5342 no . .
C(38) H(25B) 3.5900 no . .
C(39) H(9) 3.3211 no . .
C(40) H(21B) 3.5952 no . 6_555
C(40) H(24A) 3.4317 no . 6_555
C(40) H(24B) 3.1393 no . 6_555
C(41) H(3) 3.3356 no . 6_555
C(41) H(24A) 3.1321 no . 6_555
C(41) H(24B) 3.5718 no . 6_555
C(42) H(45A) 3.0549 no . 5_655
C(42) H(20B) 3.1796 no . 6_555
C(42) H(21B) 3.2833 no . 6_555
C(43) H(49A) 3.5329 no . 5_655
C(43) H(20A) 3.5816 no . 6_555
C(43) H(20B) 3.0900 no . 6_555
C(45) H(42B) 3.0658 no . 5_655
C(47) H(11) 3.3996 no . 8_555
C(48) H(11) 3.3605 no . 8_555
C(49) H(20B) 3.2901 no . 2_545
C(50) H(18A) 3.3988 no . 2_545
H(28) C(7) 3.5460 no . .
H(28) C(12) 3.1621 no . .
H(28) C(14) 3.4256 no . .
H(28) C(17) 3.2712 no . 2_545
H(28) H(43A) 3.1742 no . 5_655
H(28) H(43B) 3.5197 no . 5_655
H(28) H(44A) 3.4636 no . 5_655
H(28) H(12) 2.7174 no . .
H(28) H(14) 3.1584 no . .
H(28) H(17A) 3.0531 no . 2_545
H(28) H(17B) 2.7323 no . 2_545
H(28) H(18A) 3.1354 no . 2_545
H(30) C(5) 3.2607 no . 6_455
H(30) C(6) 3.2727 no . 6_455
H(30) C(30) 3.1718 no . 5_555
H(30) H(30) 2.5125 no . 5_555
H(30) H(5) 2.6668 no . 6_455
H(30) H(6) 2.6540 no . 6_455
H(30) H(25A) 3.5538 no . .
H(31) Cl(4) 3.2070 no . 6_455
H(31) C(6) 3.4298 no . 6_455
H(31) H(34) 3.0565 no . 6_455
H(31) H(46A) 2.9044 no . 5_655
H(31) H(5) 3.5722 no . 6_455
H(31) H(6) 2.6588 no . 6_455
H(31) H(25B) 3.2086 no . .
H(34) C(1) 3.2911 no . .
H(34) C(6) 3.2140 no . .
H(34) C(13) 3.0277 no . .
H(34) H(31) 3.0565 no . 6_555
H(34) H(38) 3.5674 no . 6_555
H(34) H(3) 2.7766 no . 6_555
H(34) H(6) 2.8984 no . .
H(34) H(13) 2.8332 no . .
H(36) C(16) 2.9618 no . 8_555
H(36) C(18) 3.4123 no . 8_555
H(36) C(19) 3.2878 no . 8_555
H(36) C(22) 3.4668 no . 1_655
H(36) H(16A) 2.5388 no . 8_555
H(36) H(16B) 2.5158 no . 8_555
H(36) H(18B) 2.9388 no . 8_555
H(36) H(19A) 2.5085 no . 8_555
H(36) H(21A) 3.3647 no . 1_655
H(36) H(22A) 2.8160 no . 1_655
H(36) H(22B) 3.3446 no . 1_655
H(37) O(2) 3.2574 no . 8_555
H(37) C(7) 3.5712 no . 8_555
H(37) C(8) 3.1838 no . 8_555
H(37) C(9) 3.5801 no . 8_555
H(37) H(15B) 3.4859 no . .
H(37) H(16A) 3.2002 no . 8_555
H(37) H(19A) 3.1552 no . 8_555
H(37) H(23A) 2.8884 no . 8_555
H(38) Cl(4) 3.2201 no . 6_455
H(38) C(3) 3.5390 no . .
H(38) H(34) 3.5674 no . 6_455
H(38) H(45A) 3.2500 no . 5_655
H(38) H(46A) 3.4224 no . 5_655
H(38) H(3) 3.1268 no . .
H(39) C(7) 3.5538 no . 8_555
H(39) C(9) 3.3270 no . .
H(39) C(12) 3.4217 no . 8_555
H(39) H(9) 3.0172 no . .
H(40A) C(1) 3.1083 no . .
H(40A) C(2) 3.0230 no . .
H(40A) C(3) 3.1417 no . .
H(40A) C(4) 3.3256 no . .
H(40A) C(5) 3.4285 no . .
H(40A) C(6) 3.3119 no . .
H(40A) H(24A) 3.5109 no . 6_555
H(40A) H(24B) 3.0379 no . 6_555
H(40A) H(25B) 3.5903 no . 6_555
H(40B) C(3) 3.2386 no . .
H(40B) C(4) 3.4202 no . .
H(40B) C(24) 3.2456 no . 6_555
H(40B) H(3) 3.3343 no . .
H(40B) H(21B) 2.7995 no . 6_555
H(40B) H(24A) 3.0532 no . 6_555
H(40B) H(24B) 2.5350 no . 6_555
H(41A) O(1) 2.8212 no . 6_555
H(41A) C(2) 3.0084 no . 6_555
H(41A) C(3) 3.0120 no . 6_555
H(41A) C(24) 3.0776 no . 6_555
H(41A) H(3) 2.8663 no . 6_555
H(41A) H(20A) 3.3788 no . 6_555
H(41A) H(21B) 3.4254 no . 6_555
H(41A) H(24A) 2.3281 no . 6_555
H(41A) H(24B) 3.0543 no . 6_555
H(41A) H(25B) 3.2441 no . 6_555
H(41B) C(3) 3.0949 no . 6_555
H(41B) C(4) 3.5374 no . 6_555
H(41B) H(3) 2.9031 no . 6_555
H(42A) C(20) 3.0372 no . 6_555
H(42A) C(21) 3.1296 no . 6_555
H(42A) H(45A) 3.0171 no . 5_655
H(42A) H(45B) 3.5967 no . 5_655
H(42A) H(47B) 3.2242 no . 5_655
H(42A) H(49A) 3.2854 no . 5_655
H(42A) H(20A) 3.1256 no . 6_555
H(42A) H(20B) 2.4722 no . 6_555
H(42A) H(21A) 3.5396 no . 6_555
H(42A) H(21B) 2.3855 no . 6_555
H(42A) H(24A) 3.3794 no . 6_555
H(42B) C(45) 3.0658 no . 5_655
H(42B) H(45A) 2.2508 no . 5_655
H(42B) H(45B) 3.0626 no . 5_655
H(43A) O(3) 2.9587 no . 5_655
H(43A) C(27) 3.0764 no . 5_655
H(43A) C(28) 3.2259 no . 5_655
H(43A) H(28) 3.1742 no . 5_655
H(43A) H(45B) 3.4132 no . 5_655
H(43A) H(49A) 2.6742 no . 5_655
H(43A) H(20B) 2.8747 no . 6_555
H(43B) C(1) 3.3712 no . 6_555
H(43B) C(2) 3.3922 no . 6_555
H(43B) C(20) 3.2830 no . 6_555
H(43B) H(28) 3.5197 no . 5_655
H(43B) H(17A) 2.7987 no . 6_555
H(43B) H(20A) 2.8820 no . 6_555
H(43B) H(20B) 2.7578 no . 6_555
H(44A) C(5) 3.4448 no . 6_555
H(44A) C(6) 3.3733 no . 6_555
H(44A) C(26) 3.3760 no . 5_655
H(44A) C(27) 3.2463 no . 5_655
H(44A) C(28) 3.0649 no . 5_655
H(44A) C(29) 3.1079 no . 5_655
H(44A) C(30) 3.2720 no . 5_655
H(44A) C(31) 3.3608 no . 5_655
H(44A) H(28) 3.4636 no . 5_655
H(44A) H(6) 3.5268 no . 6_555
H(44B) Cl(1) 3.5388 no . 6_555
H(44B) C(1) 3.4973 no . 6_555
H(44B) C(2) 3.4218 no . 6_555
H(44B) C(3) 3.0674 no . 6_555
H(44B) C(4) 2.7880 no . 6_555
H(44B) C(5) 2.9060 no . 6_555
H(44B) C(6) 3.2343 no . 6_555
H(44B) H(3) 3.5429 no . 6_555
H(44B) H(5) 3.3159 no . 6_555
H(45A) N(3) 3.5802 no . 5_655
H(45A) C(26) 3.1119 no . 5_655
H(45A) C(27) 3.4284 no . 5_655
H(45A) C(38) 3.0872 no . 5_655
H(45A) C(42) 3.0549 no . 5_655
H(45A) H(38) 3.2500 no . 5_655
H(45A) H(42A) 3.0171 no . 5_655
H(45A) H(42B) 2.2508 no . 5_655
H(45A) H(45B) 3.5690 no . 5_655
H(45B) H(42A) 3.5967 no . 5_655
H(45B) H(42B) 3.0626 no . 5_655
H(45B) H(43A) 3.4132 no . 5_655
H(45B) H(45A) 3.5690 no . 5_655
H(46A) Cl(4) 3.2444 no . 2_645
H(46A) C(26) 3.4249 no . 5_655
H(46A) C(30) 3.5190 no . 5_655
H(46A) C(31) 3.0097 no . 5_655
H(46A) H(31) 2.9044 no . 5_655
H(46A) H(38) 3.4224 no . 5_655
H(46B) Cl(1) 3.3267 no . 6_555
H(46B) C(4) 3.3104 no . 6_555
H(46B) C(5) 3.0962 no . 6_555
H(46B) H(5) 2.8887 no . 6_555
H(47A) Cl(2) 3.0420 no . 8_555
H(47A) Cl(4) 3.1940 no . 2_645
H(47A) C(11) 3.3908 no . 8_555
H(47A) H(11) 2.7510 no . 8_555
H(47B) Cl(4) 3.0806 no . 2_645
H(47B) H(42A) 3.2242 no . 5_655
H(47B) H(20B) 3.5622 no . 2_545
H(47B) H(21A) 3.2761 no . 2_545
H(47B) H(21B) 3.4202 no . 2_545
H(48A) Cl(1) 3.2855 no . 6_555
H(48B) Cl(1) 3.4877 no . 6_555
H(48B) Cl(2) 3.3973 no . 8_555
H(48B) C(10) 3.1048 no . 8_555
H(48B) C(11) 2.8372 no . 8_555
H(48B) C(12) 3.5785 no . 8_555
H(48B) H(11) 2.6972 no . 8_555
H(49A) C(43) 3.5329 no . 5_655
H(49A) H(42A) 3.2854 no . 5_655
H(49A) H(43A) 2.6742 no . 5_655
H(49A) H(20B) 2.9800 no . 2_545
H(49B) C(20) 3.3945 no . 2_545
H(49B) H(11) 3.4741 no . 8_555
H(49B) H(18A) 3.3016 no . 2_545
H(49B) H(19B) 3.1727 no . 2_545
H(49B) H(20B) 2.7071 no . 2_545
H(49B) H(21A) 3.1483 no . 2_545
H(50A) C(7) 3.3034 no . .
H(50A) C(8) 3.4082 no . .
H(50A) C(9) 3.3547 no . .
H(50A) C(10) 3.1885 no . .
H(50A) C(11) 3.1355 no . .
H(50A) C(12) 3.1881 no . .
H(50A) H(11) 3.5790 no . .
H(50A) H(18A) 2.6979 no . 2_545
H(50B) Cl(2) 3.4452 no . .
H(50B) C(9) 3.2588 no . .
H(50B) C(10) 3.1054 no . .
H(50B) C(12) 3.5624 no . 8_555
H(50B) H(9) 3.4682 no . .
H(50B) H(12) 3.2773 no . 8_555
H(50B) H(18A) 3.5055 no . 2_545
H(3) O(4) 3.4627 no . 6_455
H(3) C(33) 3.5260 no . 6_455
H(3) C(34) 3.1291 no . 6_455
H(3) C(38) 3.5342 no . .
H(3) C(41) 3.3356 no . 6_455
H(3) H(34) 2.7766 no . 6_455
H(3) H(38) 3.1268 no . .
H(3) H(40B) 3.3343 no . .
H(3) H(41A) 2.8663 no . 6_455
H(3) H(41B) 2.9031 no . 6_455
H(3) H(44B) 3.5429 no . 6_455
H(5) C(25) 3.0473 no . 6_555
H(5) C(30) 3.0516 no . 6_555
H(5) C(31) 3.5579 no . 6_555
H(5) H(30) 2.6668 no . 6_555
H(5) H(31) 3.5722 no . 6_555
H(5) H(44B) 3.3159 no . 6_455
H(5) H(46B) 2.8887 no . 6_455
H(5) H(24B) 3.1415 no . 6_555
H(5) H(25A) 2.3044 no . 6_555
H(5) H(25B) 3.0664 no . 6_555
H(6) Cl(3) 3.2363 no . 2_555
H(6) C(30) 3.2077 no . 6_555
H(6) C(31) 3.2221 no . 6_555
H(6) H(30) 2.6540 no . 6_555
H(6) H(31) 2.6588 no . 6_555
H(6) H(34) 2.8984 no . .
H(6) H(44A) 3.5268 no . 6_455
H(9) C(22) 3.1863 no . 8_555
H(9) C(23) 3.0176 no . 8_555
H(9) C(39) 3.3211 no . .
H(9) H(39) 3.0172 no . .
H(9) H(50B) 3.4682 no . .
H(9) H(22A) 3.1398 no . 8_555
H(9) H(22B) 2.8328 no . 8_555
H(9) H(23A) 3.3611 no . 8_555
H(9) H(23B) 2.2357 no . 8_555
H(11) C(18) 3.1765 no . 2_545
H(11) C(47) 3.3996 no . 8_455
H(11) C(48) 3.3605 no . 8_455
H(11) H(47A) 2.7510 no . 8_455
H(11) H(48B) 2.6972 no . 8_455
H(11) H(49B) 3.4741 no . 8_455
H(11) H(50A) 3.5790 no . .
H(11) H(17B) 3.4801 no . 2_545
H(11) H(18A) 2.8492 no . 2_545
H(11) H(18B) 2.6359 no . 2_545
H(12) C(28) 3.2663 no . .
H(12) H(28) 2.7174 no . .
H(12) H(50B) 3.2773 no . 8_455
H(12) H(17B) 3.1131 no . 2_545
H(12) H(18A) 3.4697 no . 2_545
H(13) Cl(3) 2.9779 no . 2_555
H(13) C(33) 3.5507 no . .
H(13) C(34) 2.9660 no . .
H(13) C(35) 3.3605 no . .
H(13) H(34) 2.8332 no . .
H(14) Cl(2) 2.9855 no . 8_455
H(14) C(27) 3.3867 no . .
H(14) C(28) 2.9993 no . .
H(14) C(29) 3.2100 no . .
H(14) H(28) 3.1584 no . .
H(15A) C(34) 3.4466 no . .
H(15A) C(35) 3.2791 no . .
H(15A) C(36) 3.4018 no . .
H(15A) H(19A) 3.4592 no . 8_555
H(15A) H(19B) 3.2019 no . 8_555
H(15A) H(22B) 3.4021 no . 8_555
H(15B) C(22) 3.4318 no . 8_555
H(15B) C(32) 3.0742 no . .
H(15B) C(33) 3.4159 no . .
H(15B) C(36) 3.5268 no . .
H(15B) C(37) 3.1526 no . .
H(15B) H(37) 3.4859 no . .
H(15B) H(19A) 3.5459 no . 8_555
H(15B) H(22B) 2.4417 no . 8_555
H(16A) C(36) 3.3318 no . 8_455
H(16A) H(36) 2.5388 no . 8_455
H(16A) H(37) 3.2002 no . 8_455
H(16A) H(22B) 3.3351 no . 8_555
H(16B) C(21) 3.2920 no . 8_555
H(16B) C(22) 3.1364 no . 8_555
H(16B) C(36) 3.4361 no . 8_455
H(16B) H(36) 2.5158 no . 8_455
H(16B) H(19B) 3.2232 no . 8_555
H(16B) H(21A) 2.5791 no . 8_555
H(16B) H(22A) 3.2338 no . 8_555
H(16B) H(22B) 2.4838 no . 8_555
H(17A) H(28) 3.0531 no . 2_555
H(17A) H(43B) 2.7987 no . 6_455
H(17B) Cl(3) 3.5751 no . 2_555
H(17B) H(28) 2.7323 no . 2_555
H(17B) H(11) 3.4801 no . 2_555
H(17B) H(12) 3.1131 no . 2_555
H(18A) C(11) 3.1697 no . 2_555
H(18A) C(12) 3.5132 no . 2_555
H(18A) C(50) 3.3988 no . 2_555
H(18A) H(28) 3.1354 no . 2_555
H(18A) H(49B) 3.3016 no . 2_555
H(18A) H(50A) 2.6979 no . 2_555
H(18A) H(50B) 3.5055 no . 2_555
H(18A) H(11) 2.8492 no . 2_555
H(18A) H(12) 3.4697 no . 2_555
H(18B) C(11) 3.3696 no . 2_555
H(18B) H(36) 2.9388 no . 8_455
H(18B) H(11) 2.6359 no . 2_555
H(19A) C(36) 2.9939 no . 8_455
H(19A) C(37) 3.3397 no . 8_455
H(19A) H(36) 2.5085 no . 8_455
H(19A) H(37) 3.1552 no . 8_455
H(19A) H(15A) 3.4592 no . 8_455
H(19A) H(15B) 3.5459 no . 8_455
H(19B) H(49B) 3.1727 no . 2_555
H(19B) H(15A) 3.2019 no . 8_455
H(19B) H(16B) 3.2232 no . 8_455
H(20A) C(43) 3.5816 no . 6_455
H(20A) H(41A) 3.3788 no . 6_455
H(20A) H(42A) 3.1256 no . 6_455
H(20A) H(43B) 2.8820 no . 6_455
H(20B) C(42) 3.1796 no . 6_455
H(20B) C(43) 3.0900 no . 6_455
H(20B) C(49) 3.2901 no . 2_555
H(20B) H(42A) 2.4722 no . 6_455
H(20B) H(43A) 2.8747 no . 6_455
H(20B) H(43B) 2.7578 no . 6_455
H(20B) H(47B) 3.5622 no . 2_555
H(20B) H(49A) 2.9800 no . 2_555
H(20B) H(49B) 2.7071 no . 2_555
H(21A) Cl(4) 3.5741 no . 1_455
H(21A) C(16) 3.5540 no . 8_455
H(21A) H(36) 3.3647 no . 1_455
H(21A) H(42A) 3.5396 no . 6_455
H(21A) H(47B) 3.2761 no . 2_555
H(21A) H(49B) 3.1483 no . 2_555
H(21A) H(16B) 2.5791 no . 8_455
H(21B) Cl(4) 3.5697 no . 1_455
H(21B) C(40) 3.5952 no . 6_455
H(21B) C(42) 3.2833 no . 6_455
H(21B) H(40B) 2.7995 no . 6_455
H(21B) H(41A) 3.4254 no . 6_455
H(21B) H(42A) 2.3855 no . 6_455
H(21B) H(47B) 3.4202 no . 2_555
H(22A) Cl(1) 3.1852 no . 6_455
H(22A) C(35) 3.3868 no . 1_455
H(22A) C(36) 2.9809 no . 1_455
H(22A) C(37) 3.5995 no . 1_455
H(22A) H(36) 2.8160 no . 1_455
H(22A) H(9) 3.1398 no . 8_455
H(22A) H(16B) 3.2338 no . 8_455
H(22B) O(2) 3.5568 no . 8_455
H(22B) C(15) 3.1062 no . 8_455
H(22B) C(16) 3.1158 no . 8_455
H(22B) H(36) 3.3446 no . 1_455
H(22B) H(9) 2.8328 no . 8_455
H(22B) H(15A) 3.4021 no . 8_455
H(22B) H(15B) 2.4417 no . 8_455
H(22B) H(16A) 3.3351 no . 8_455
H(22B) H(16B) 2.4838 no . 8_455
H(23A) H(37) 2.8884 no . 8_455
H(23A) H(9) 3.3611 no . 8_455
H(23B) Cl(1) 3.5074 no . 6_455
H(23B) Cl(2) 3.2245 no . 8_455
H(23B) C(9) 3.1002 no . 8_455
H(23B) H(9) 2.2357 no . 8_455
H(24A) C(40) 3.4317 no . 6_455
H(24A) C(41) 3.1321 no . 6_455
H(24A) H(40A) 3.5109 no . 6_455
H(24A) H(40B) 3.0532 no . 6_455
H(24A) H(41A) 2.3281 no . 6_455
H(24A) H(42A) 3.3794 no . 6_455
H(24B) Cl(1) 2.9057 no . 6_455
H(24B) C(4) 2.9990 no . 6_455
H(24B) C(5) 3.1906 no . 6_455
H(24B) C(40) 3.1393 no . 6_455
H(24B) C(41) 3.5718 no . 6_455
H(24B) H(40A) 3.0379 no . 6_455
H(24B) H(40B) 2.5350 no . 6_455
H(24B) H(41A) 3.0543 no . 6_455
H(24B) H(5) 3.1415 no . 6_455
H(25A) Cl(2) 3.5065 no . 8_455
H(25A) C(5) 2.9853 no . 6_455
H(25A) C(29) 3.4762 no . .
H(25A) C(30) 3.2650 no . .
H(25A) C(31) 3.3802 no . .
H(25A) H(30) 3.5538 no . .
H(25A) H(5) 2.3044 no . 6_455
H(25B) C(5) 3.4287 no . 6_455
H(25B) C(26) 3.1974 no . .
H(25B) C(31) 3.1011 no . .
H(25B) C(38) 3.5900 no . .
H(25B) H(31) 3.2086 no . .
H(25B) H(40A) 3.5903 no . 6_455
H(25B) H(41A) 3.2441 no . 6_455
H(25B) H(5) 3.0664 no . 6_455

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985138'
#######################################################################
#
#                 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_3b

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_moiety         'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_weight         670.55
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.5711(5)
_cell_length_b                   11.6286(6)
_cell_length_c                   20.5715(11)
_cell_angle_alpha                87.5780(19)
_cell_angle_beta                 87.8354(18)
_cell_angle_gamma                84.4992(18)
_cell_volume                     2513.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    41177
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      27.45
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320.00
_exptl_absorpt_coefficient_mu    5.799
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.078
_exptl_absorpt_correction_T_max  0.314

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            49919
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             11434
_reflns_number_gt                10626
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0220
_refine_ls_wR_factor_ref         0.0554
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11434
_refine_ls_number_parameters     595
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0004P)²+3.1671P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         0.980
_refine_diff_density_min         -1.410
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.131850(10) 1.328810(9) 0.396060(5) 0.01533(4) Uani 1.0 2 d . . .
Pt2 Pt 0.351130(9) 0.653980(9) 0.086760(5) 0.01558(4) Uani 1.0 2 d . . .
Cl1 Cl 0.17018(8) 1.24229(8) 0.72969(4) 0.03411(19) Uani 1.0 2 d . . .
Cl2 Cl 0.09455(8) 1.39134(8) 0.06105(4) 0.03052(18) Uani 1.0 2 d . . .
Cl3 Cl 0.50796(8) 0.50642(8) 0.40560(4) 0.03288(18) Uani 1.0 2 d . . .
Cl4 Cl 0.19861(8) 0.82286(8) -0.22906(4) 0.03199(18) Uani 1.0 2 d . . .
O1 O 0.10443(19) 1.32828(18) 0.49240(10) 0.0213(5) Uani 1.0 2 d . . .
O2 O 0.16023(19) 1.33024(19) 0.30004(9) 0.0225(5) Uani 1.0 2 d . . .
O3 O 0.43462(19) 0.59871(19) 0.16895(10) 0.0227(5) Uani 1.0 2 d . . .
O4 O 0.26776(19) 0.7051(2) 0.00451(9) 0.0240(5) Uani 1.0 2 d . . .
N1 N 0.3142(2) 1.2611(2) 0.40179(11) 0.0161(5) Uani 1.0 2 d . . .
N2 N -0.0497(3) 1.3982(2) 0.38955(12) 0.0185(5) Uani 1.0 2 d . . .
N3 N 0.1783(3) 0.6816(3) 0.13104(11) 0.0191(5) Uani 1.0 2 d . . .
N4 N 0.5241(3) 0.6281(2) 0.04211(11) 0.0176(5) Uani 1.0 2 d . . .
C1 C 0.3166(3) 1.2496(3) 0.52096(14) 0.0183(6) Uani 1.0 2 d . . .
C2 C 0.1890(3) 1.2908(3) 0.53553(14) 0.0186(6) Uani 1.0 2 d . . .
C3 C 0.1459(3) 1.2896(3) 0.60131(14) 0.0208(6) Uani 1.0 2 d . . .
C4 C 0.2281(3) 1.2495(3) 0.64925(14) 0.0233(7) Uani 1.0 2 d . . .
C5 C 0.3548(3) 1.2115(3) 0.63633(15) 0.0246(7) Uani 1.0 2 d . . .
C6 C 0.3972(3) 1.2125(3) 0.57240(14) 0.0244(7) Uani 1.0 2 d . . .
C7 C -0.0428(3) 1.4279(3) 0.27065(14) 0.0191(6) Uani 1.0 2 d . . .
C8 C 0.0803(3) 1.3733(3) 0.25646(14) 0.0187(6) Uani 1.0 2 d . . .
C9 C 0.1208(3) 1.3620(3) 0.19076(14) 0.0217(6) Uani 1.0 2 d . . .
C10 C 0.0435(3) 1.4060(3) 0.14185(14) 0.0212(6) Uani 1.0 2 d . . .
C11 C -0.0777(3) 1.4617(3) 0.15463(15) 0.0242(7) Uani 1.0 2 d . . .
C12 C -0.1187(3) 1.4705(3) 0.21815(15) 0.0227(7) Uani 1.0 2 d . . .
C13 C 0.3705(3) 1.2388(3) 0.45599(14) 0.0199(6) Uani 1.0 2 d . . .
C14 C -0.0995(3) 1.4346(3) 0.33494(14) 0.0194(6) Uani 1.0 2 d . . .
C15 C 0.3914(3) 1.2313(3) 0.34198(13) 0.0207(6) Uani 1.0 2 d . . .
C16 C 0.3508(3) 1.1239(3) 0.31185(14) 0.0210(6) Uani 1.0 2 d . . .
C17 C 0.3598(3) 1.0157(3) 0.35584(15) 0.0240(7) Uani 1.0 2 d . . .
C18 C 0.2983(3) 0.9156(3) 0.32772(16) 0.0278(7) Uani 1.0 2 d . . .
C19 C 0.1552(3) 0.9390(3) 0.31765(14) 0.0240(7) Uani 1.0 2 d . . .
C20 C 0.0757(3) 0.9569(3) 0.38071(15) 0.0266(7) Uani 1.0 2 d . . .
C21 C -0.0579(3) 1.0150(3) 0.37113(14) 0.0232(7) Uani 1.0 2 d . . .
C22 C -0.1375(3) 1.0220(3) 0.43498(15) 0.0256(7) Uani 1.0 2 d . . .
C23 C -0.2626(3) 1.0997(3) 0.43129(16) 0.0274(7) Uani 1.0 2 d . . .
C24 C -0.2462(3) 1.2277(3) 0.41665(14) 0.0213(6) Uani 1.0 2 d . . .
C25 C -0.1739(3) 1.2838(3) 0.46775(13) 0.0196(6) Uani 1.0 2 d . . .
C26 C -0.1366(3) 1.4033(3) 0.44797(14) 0.0202(6) Uani 1.0 2 d . . .
C27 C 0.2490(3) 0.6237(3) 0.24090(14) 0.0192(6) Uani 1.0 2 d . . .
C28 C 0.3792(3) 0.5946(3) 0.22722(14) 0.0192(6) Uani 1.0 2 d . . .
C29 C 0.4590(3) 0.5592(3) 0.27949(14) 0.0217(6) Uani 1.0 2 d . . .
C30 C 0.4079(3) 0.5514(3) 0.34192(14) 0.0221(7) Uani 1.0 2 d . . .
C31 C 0.2796(3) 0.5791(3) 0.35681(14) 0.0252(7) Uani 1.0 2 d . . .
C32 C 0.2025(3) 0.6141(3) 0.30588(14) 0.0228(7) Uani 1.0 2 d . . .
C33 C 0.4512(3) 0.6730(3) -0.06858(13) 0.0191(6) Uani 1.0 2 d . . .
C34 C 0.3226(3) 0.7097(3) -0.05372(14) 0.0187(6) Uani 1.0 2 d . . .
C35 C 0.2449(3) 0.7558(3) -0.10494(14) 0.0222(7) Uani 1.0 2 d . . .
C36 C 0.2943(3) 0.7599(3) -0.16744(14) 0.0233(7) Uani 1.0 2 d . . .
C37 C 0.4192(3) 0.7182(3) -0.18383(14) 0.0252(7) Uani 1.0 2 d . . .
C38 C 0.4954(3) 0.6751(3) -0.13416(14) 0.0232(7) Uani 1.0 2 d . . .
C39 C 0.1579(3) 0.6627(3) 0.19252(14) 0.0205(6) Uani 1.0 2 d . . .
C40 C 0.5429(3) 0.6360(3) -0.02035(14) 0.0204(6) Uani 1.0 2 d . . .
C41 C 0.0661(3) 0.7315(3) 0.09417(14) 0.0215(7) Uani 1.0 2 d . . .
C42 C 0.0717(3) 0.8593(3) 0.07786(14) 0.0232(7) Uani 1.0 2 d . . .
C43 C 0.0707(3) 0.9357(3) 0.13638(15) 0.0237(7) Uani 1.0 2 d . . .
C44 C 0.1018(3) 1.0588(3) 0.11863(16) 0.0283(7) Uani 1.0 2 d . . .
C45 C 0.2362(3) 1.0668(3) 0.08879(15) 0.0262(7) Uani 1.0 2 d . . .
C46 C 0.3415(3) 1.0216(4) 0.13329(15) 0.0294(8) Uani 1.0 2 d . . .
C47 C 0.4720(3) 1.0034(3) 0.09962(15) 0.0248(7) Uani 1.0 2 d . . .
C48 C 0.5781(3) 0.9624(3) 0.14576(15) 0.0246(7) Uani 1.0 2 d . . .
C49 C 0.7041(3) 0.9201(3) 0.11156(16) 0.0266(7) Uani 1.0 2 d . . .
C50 C 0.6986(3) 0.8110(3) 0.07373(14) 0.0212(6) Uani 1.0 2 d . . .
C51 C 0.6700(3) 0.7056(3) 0.11679(14) 0.0192(6) Uani 1.0 2 d . . .
C52 C 0.6393(3) 0.6011(3) 0.08059(14) 0.0189(6) Uani 1.0 2 d . . .
H3 H 0.0605 1.3165 0.6125 0.0250 Uiso 1.0 2 calc R . .
H5 H 0.4101 1.1858 0.6704 0.0295 Uiso 1.0 2 calc R . .
H6 H 0.4837 1.1873 0.5625 0.0292 Uiso 1.0 2 calc R . .
H9 H 0.2021 1.3238 0.1803 0.0260 Uiso 1.0 2 calc R . .
H11 H -0.1298 1.4924 0.1202 0.0291 Uiso 1.0 2 calc R . .
H12 H -0.2015 1.5067 0.2274 0.0272 Uiso 1.0 2 calc R . .
H13 H 0.4582 1.2121 0.4526 0.0239 Uiso 1.0 2 calc R . .
H14 H -0.1841 1.4701 0.3379 0.0233 Uiso 1.0 2 calc R . .
H15A H 0.4822 1.2179 0.3528 0.0248 Uiso 1.0 2 calc R . .
H15B H 0.3822 1.2972 0.3099 0.0248 Uiso 1.0 2 calc R . .
H16A H 0.2617 1.1403 0.2984 0.0252 Uiso 1.0 2 calc R . .
H16B H 0.4043 1.1083 0.2721 0.0252 Uiso 1.0 2 calc R . .
H17A H 0.3180 1.0341 0.3985 0.0288 Uiso 1.0 2 calc R . .
H17B H 0.4505 0.9910 0.3633 0.0288 Uiso 1.0 2 calc R . .
H18A H 0.3131 0.8466 0.3573 0.0334 Uiso 1.0 2 calc R . .
H18B H 0.3412 0.8970 0.2853 0.0334 Uiso 1.0 2 calc R . .
H19A H 0.1399 1.0088 0.2887 0.0288 Uiso 1.0 2 calc R . .
H19B H 0.1259 0.8731 0.2953 0.0288 Uiso 1.0 2 calc R . .
H20A H 0.0692 0.8807 0.4033 0.0319 Uiso 1.0 2 calc R . .
H20B H 0.1207 1.0045 0.4094 0.0319 Uiso 1.0 2 calc R . .
H21A H -0.1013 0.9711 0.3398 0.0279 Uiso 1.0 2 calc R . .
H21B H -0.0522 1.0941 0.3522 0.0279 Uiso 1.0 2 calc R . .
H22A H -0.1570 0.9430 0.4491 0.0308 Uiso 1.0 2 calc R . .
H22B H -0.0857 1.0508 0.4688 0.0308 Uiso 1.0 2 calc R . .
H23A H -0.3107 1.0922 0.4733 0.0329 Uiso 1.0 2 calc R . .
H23B H -0.3141 1.0719 0.3970 0.0329 Uiso 1.0 2 calc R . .
H24A H -0.2006 1.2355 0.3740 0.0256 Uiso 1.0 2 calc R . .
H24B H -0.3314 1.2705 0.4129 0.0256 Uiso 1.0 2 calc R . .
H25A H -0.2272 1.2892 0.5083 0.0236 Uiso 1.0 2 calc R . .
H25B H -0.0958 1.2330 0.4775 0.0236 Uiso 1.0 2 calc R . .
H26A H -0.2139 1.4554 0.4384 0.0242 Uiso 1.0 2 calc R . .
H26B H -0.0940 1.4350 0.4843 0.0242 Uiso 1.0 2 calc R . .
H29 H 0.5476 0.5408 0.2715 0.0261 Uiso 1.0 2 calc R . .
H31 H 0.2465 0.5741 0.4003 0.0302 Uiso 1.0 2 calc R . .
H32 H 0.1142 0.6326 0.3149 0.0273 Uiso 1.0 2 calc R . .
H35 H 0.1588 0.7838 -0.0960 0.0267 Uiso 1.0 2 calc R . .
H37 H 0.4502 0.7195 -0.2278 0.0302 Uiso 1.0 2 calc R . .
H38 H 0.5806 0.6459 -0.1443 0.0278 Uiso 1.0 2 calc R . .
H39 H 0.0720 0.6762 0.2079 0.0246 Uiso 1.0 2 calc R . .
H40 H 0.6271 0.6149 -0.0362 0.0245 Uiso 1.0 2 calc R . .
H41A H -0.0125 0.7203 0.1204 0.0259 Uiso 1.0 2 calc R . .
H41B H 0.0626 0.6898 0.0534 0.0259 Uiso 1.0 2 calc R . .
H42A H -0.0018 0.8869 0.0510 0.0278 Uiso 1.0 2 calc R . .
H42B H 0.1499 0.8692 0.0510 0.0278 Uiso 1.0 2 calc R . .
H43A H 0.1333 0.9000 0.1676 0.0285 Uiso 1.0 2 calc R . .
H43B H -0.0144 0.9387 0.1584 0.0285 Uiso 1.0 2 calc R . .
H44A H 0.0923 1.1045 0.1583 0.0339 Uiso 1.0 2 calc R . .
H44B H 0.0392 1.0942 0.0873 0.0339 Uiso 1.0 2 calc R . .
H45A H 0.2450 1.0228 0.0485 0.0314 Uiso 1.0 2 calc R . .
H45B H 0.2465 1.1487 0.0765 0.0314 Uiso 1.0 2 calc R . .
H46A H 0.3201 0.9470 0.1539 0.0353 Uiso 1.0 2 calc R . .
H46B H 0.3455 1.0766 0.1684 0.0353 Uiso 1.0 2 calc R . .
H47A H 0.4920 1.0770 0.0775 0.0298 Uiso 1.0 2 calc R . .
H47B H 0.4692 0.9456 0.0658 0.0298 Uiso 1.0 2 calc R . .
H48A H 0.5497 0.8988 0.1746 0.0295 Uiso 1.0 2 calc R . .
H48B H 0.5929 1.0269 0.1736 0.0295 Uiso 1.0 2 calc R . .
H49A H 0.7305 0.9824 0.0812 0.0319 Uiso 1.0 2 calc R . .
H49B H 0.7700 0.9051 0.1446 0.0319 Uiso 1.0 2 calc R . .
H50A H 0.7811 0.7936 0.0501 0.0255 Uiso 1.0 2 calc R . .
H50B H 0.6322 0.8256 0.0409 0.0255 Uiso 1.0 2 calc R . .
H51A H 0.7445 0.6825 0.1438 0.0230 Uiso 1.0 2 calc R . .
H51B H 0.5972 0.7285 0.1467 0.0230 Uiso 1.0 2 calc R . .
H52A H 0.7121 0.5761 0.0512 0.0226 Uiso 1.0 2 calc R . .
H52B H 0.6258 0.5366 0.1123 0.0226 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 O1 1.992(2) yes . .
Pt1 O2 1.9863(19) yes . .
Pt1 N1 2.017(3) yes . .
Pt1 N2 2.017(3) yes . .
Pt2 O3 1.991(2) yes . .
Pt2 O4 1.9800(19) yes . .
Pt2 N3 2.014(3) yes . .
Pt2 N4 2.017(3) yes . .
Cl1 C4 1.744(3) yes . .
Cl2 C10 1.738(3) yes . .
Cl3 C30 1.746(4) yes . .
Cl4 C36 1.744(4) yes . .
O1 C2 1.315(4) yes . .
O2 C8 1.306(4) yes . .
O3 C28 1.315(4) yes . .
O4 C34 1.312(4) yes . .
N1 C13 1.289(4) yes . .
N1 C15 1.485(4) yes . .
N2 C14 1.296(4) yes . .
N2 C26 1.485(4) yes . .
N3 C39 1.288(4) yes . .
N3 C41 1.489(4) yes . .
N4 C40 1.293(4) yes . .
N4 C52 1.478(4) yes . .
C1 C2 1.413(4) yes . .
C1 C6 1.411(4) yes . .
C1 C13 1.439(4) yes . .
C2 C3 1.411(4) yes . .
C3 C4 1.376(5) yes . .
C4 C5 1.390(5) yes . .
C5 C6 1.373(5) yes . .
C7 C8 1.418(4) yes . .
C7 C12 1.414(5) yes . .
C7 C14 1.433(4) yes . .
C8 C9 1.410(4) yes . .
C9 C10 1.371(5) yes . .
C10 C11 1.400(5) yes . .
C11 C12 1.366(5) yes . .
C15 C16 1.523(5) yes . .
C16 C17 1.515(5) yes . .
C17 C18 1.532(5) yes . .
C18 C19 1.532(5) yes . .
C19 C20 1.529(5) yes . .
C20 C21 1.522(5) yes . .
C21 C22 1.534(5) yes . .
C22 C23 1.531(5) yes . .
C23 C24 1.531(5) yes . .
C24 C25 1.527(5) yes . .
C25 C26 1.515(5) yes . .
C27 C28 1.406(4) yes . .
C27 C32 1.410(4) yes . .
C27 C39 1.440(4) yes . .
C28 C29 1.415(5) yes . .
C29 C30 1.377(4) yes . .
C30 C31 1.390(5) yes . .
C31 C32 1.375(5) yes . .
C33 C34 1.412(4) yes . .
C33 C38 1.411(4) yes . .
C33 C40 1.437(4) yes . .
C34 C35 1.416(5) yes . .
C35 C36 1.370(4) yes . .
C36 C37 1.396(5) yes . .
C37 C38 1.374(5) yes . .
C41 C42 1.517(5) yes . .
C42 C43 1.525(5) yes . .
C43 C44 1.526(5) yes . .
C44 C45 1.536(5) yes . .
C45 C46 1.509(5) yes . .
C46 C47 1.520(5) yes . .
C47 C48 1.525(5) yes . .
C48 C49 1.531(5) yes . .
C49 C50 1.523(5) yes . .
C50 C51 1.529(5) yes . .
C51 C52 1.519(5) yes . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C9 H9 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15A 0.990 no . .
C15 H15B 0.990 no . .
C16 H16A 0.990 no . .
C16 H16B 0.990 no . .
C17 H17A 0.990 no . .
C17 H17B 0.990 no . .
C18 H18A 0.990 no . .
C18 H18B 0.990 no . .
C19 H19A 0.990 no . .
C19 H19B 0.990 no . .
C20 H20A 0.990 no . .
C20 H20B 0.990 no . .
C21 H21A 0.990 no . .
C21 H21B 0.990 no . .
C22 H22A 0.990 no . .
C22 H22B 0.990 no . .
C23 H23A 0.990 no . .
C23 H23B 0.990 no . .
C24 H24A 0.990 no . .
C24 H24B 0.990 no . .
C25 H25A 0.990 no . .
C25 H25B 0.990 no . .
C26 H26A 0.990 no . .
C26 H26B 0.990 no . .
C29 H29 0.950 no . .
C31 H31 0.950 no . .
C32 H32 0.950 no . .
C35 H35 0.950 no . .
C37 H37 0.950 no . .
C38 H38 0.950 no . .
C39 H39 0.950 no . .
C40 H40 0.950 no . .
C41 H41A 0.990 no . .
C41 H41B 0.990 no . .
C42 H42A 0.990 no . .
C42 H42B 0.990 no . .
C43 H43A 0.990 no . .
C43 H43B 0.990 no . .
C44 H44A 0.990 no . .
C44 H44B 0.990 no . .
C45 H45A 0.990 no . .
C45 H45B 0.990 no . .
C46 H46A 0.990 no . .
C46 H46B 0.990 no . .
C47 H47A 0.990 no . .
C47 H47B 0.990 no . .
C48 H48A 0.990 no . .
C48 H48B 0.990 no . .
C49 H49A 0.990 no . .
C49 H49B 0.990 no . .
C50 H50A 0.990 no . .
C50 H50B 0.990 no . .
C51 H51A 0.990 no . .
C51 H51B 0.990 no . .
C52 H52A 0.990 no . .
C52 H52B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Pt1 O2 179.54(9) yes . . .
O1 Pt1 N1 93.18(9) yes . . .
O1 Pt1 N2 87.29(9) yes . . .
O2 Pt1 N1 86.62(9) yes . . .
O2 Pt1 N2 92.91(9) yes . . .
N1 Pt1 N2 179.24(10) yes . . .
O3 Pt2 O4 178.65(10) yes . . .
O3 Pt2 N3 93.25(9) yes . . .
O3 Pt2 N4 87.07(9) yes . . .
O4 Pt2 N3 86.91(9) yes . . .
O4 Pt2 N4 92.79(9) yes . . .
N3 Pt2 N4 179.37(10) yes . . .
Pt1 O1 C2 125.85(18) yes . . .
Pt1 O2 C8 126.66(18) yes . . .
Pt2 O3 C28 126.00(18) yes . . .
Pt2 O4 C34 126.50(18) yes . . .
Pt1 N1 C13 123.51(19) yes . . .
Pt1 N1 C15 120.67(17) yes . . .
C13 N1 C15 115.8(3) yes . . .
Pt1 N2 C14 123.1(2) yes . . .
Pt1 N2 C26 120.65(18) yes . . .
C14 N2 C26 116.2(3) yes . . .
Pt2 N3 C39 123.2(2) yes . . .
Pt2 N3 C41 121.08(17) yes . . .
C39 N3 C41 115.6(3) yes . . .
Pt2 N4 C40 123.6(2) yes . . .
Pt2 N4 C52 120.60(18) yes . . .
C40 N4 C52 115.8(3) yes . . .
C2 C1 C6 119.2(3) yes . . .
C2 C1 C13 124.1(3) yes . . .
C6 C1 C13 116.6(3) yes . . .
O1 C2 C1 125.3(3) yes . . .
O1 C2 C3 116.3(3) yes . . .
C1 C2 C3 118.4(3) yes . . .
C2 C3 C4 119.8(3) yes . . .
Cl1 C4 C3 118.8(3) yes . . .
Cl1 C4 C5 118.3(3) yes . . .
C3 C4 C5 122.9(3) yes . . .
C4 C5 C6 117.5(3) yes . . .
C1 C6 C5 122.2(3) yes . . .
C8 C7 C12 118.4(3) yes . . .
C8 C7 C14 123.9(3) yes . . .
C12 C7 C14 117.5(3) yes . . .
O2 C8 C7 124.9(3) yes . . .
O2 C8 C9 116.5(3) yes . . .
C7 C8 C9 118.7(3) yes . . .
C8 C9 C10 120.3(3) yes . . .
Cl2 C10 C9 119.9(3) yes . . .
Cl2 C10 C11 118.1(3) yes . . .
C9 C10 C11 122.0(3) yes . . .
C10 C11 C12 117.9(3) yes . . .
C7 C12 C11 122.6(3) yes . . .
N1 C13 C1 127.8(3) yes . . .
N2 C14 C7 128.1(3) yes . . .
N1 C15 C16 111.7(3) yes . . .
C15 C16 C17 115.1(3) yes . . .
C16 C17 C18 113.0(3) yes . . .
C17 C18 C19 114.7(3) yes . . .
C18 C19 C20 114.0(3) yes . . .
C19 C20 C21 114.4(3) yes . . .
C20 C21 C22 112.5(3) yes . . .
C21 C22 C23 114.9(3) yes . . .
C22 C23 C24 114.3(3) yes . . .
C23 C24 C25 114.3(3) yes . . .
C24 C25 C26 114.5(3) yes . . .
N2 C26 C25 110.5(3) yes . . .
C28 C27 C32 118.8(3) yes . . .
C28 C27 C39 124.3(3) yes . . .
C32 C27 C39 116.9(3) yes . . .
O3 C28 C27 125.1(3) yes . . .
O3 C28 C29 116.3(3) yes . . .
C27 C28 C29 118.6(3) yes . . .
C28 C29 C30 119.8(3) yes . . .
Cl3 C30 C29 119.1(3) yes . . .
Cl3 C30 C31 118.2(3) yes . . .
C29 C30 C31 122.8(3) yes . . .
C30 C31 C32 117.2(3) yes . . .
C27 C32 C31 122.8(3) yes . . .
C34 C33 C38 119.2(3) yes . . .
C34 C33 C40 123.8(3) yes . . .
C38 C33 C40 117.0(3) yes . . .
O4 C34 C33 125.2(3) yes . . .
O4 C34 C35 116.4(3) yes . . .
C33 C34 C35 118.5(3) yes . . .
C34 C35 C36 119.7(3) yes . . .
Cl4 C36 C35 118.8(3) yes . . .
Cl4 C36 C37 118.4(3) yes . . .
C35 C36 C37 122.8(3) yes . . .
C36 C37 C38 117.6(3) yes . . .
C33 C38 C37 122.0(3) yes . . .
N3 C39 C27 128.1(3) yes . . .
N4 C40 C33 127.6(3) yes . . .
N3 C41 C42 111.8(3) yes . . .
C41 C42 C43 115.2(3) yes . . .
C42 C43 C44 113.5(3) yes . . .
C43 C44 C45 114.1(3) yes . . .
C44 C45 C46 114.2(3) yes . . .
C45 C46 C47 114.3(3) yes . . .
C46 C47 C48 113.7(3) yes . . .
C47 C48 C49 114.3(3) yes . . .
C48 C49 C50 114.1(3) yes . . .
C49 C50 C51 113.4(3) yes . . .
C50 C51 C52 115.3(3) yes . . .
N4 C52 C51 111.2(3) yes . . .
C2 C3 H3 120.111 no . . .
C4 C3 H3 120.101 no . . .
C4 C5 H5 121.268 no . . .
C6 C5 H5 121.259 no . . .
C1 C6 H6 118.892 no . . .
C5 C6 H6 118.892 no . . .
C8 C9 H9 119.825 no . . .
C10 C9 H9 119.834 no . . .
C10 C11 H11 121.034 no . . .
C12 C11 H11 121.036 no . . .
C7 C12 H12 118.717 no . . .
C11 C12 H12 118.709 no . . .
N1 C13 H13 116.078 no . . .
C1 C13 H13 116.084 no . . .
N2 C14 H14 115.936 no . . .
C7 C14 H14 115.925 no . . .
N1 C15 H15A 109.278 no . . .
N1 C15 H15B 109.274 no . . .
C16 C15 H15A 109.277 no . . .
C16 C15 H15B 109.279 no . . .
H15A C15 H15B 107.945 no . . .
C15 C16 H16A 108.502 no . . .
C15 C16 H16B 108.500 no . . .
C17 C16 H16A 108.501 no . . .
C17 C16 H16B 108.499 no . . .
H16A C16 H16B 107.517 no . . .
C16 C17 H17A 108.973 no . . .
C16 C17 H17B 108.975 no . . .
C18 C17 H17A 108.972 no . . .
C18 C17 H17B 108.973 no . . .
H17A C17 H17B 107.767 no . . .
C17 C18 H18A 108.585 no . . .
C17 C18 H18B 108.588 no . . .
C19 C18 H18A 108.590 no . . .
C19 C18 H18B 108.589 no . . .
H18A C18 H18B 107.564 no . . .
C18 C19 H19A 108.755 no . . .
C18 C19 H19B 108.753 no . . .
C20 C19 H19A 108.753 no . . .
C20 C19 H19B 108.751 no . . .
H19A C19 H19B 107.648 no . . .
C19 C20 H20A 108.663 no . . .
C19 C20 H20B 108.663 no . . .
C21 C20 H20A 108.659 no . . .
C21 C20 H20B 108.661 no . . .
H20A C20 H20B 107.601 no . . .
C20 C21 H21A 109.105 no . . .
C20 C21 H21B 109.102 no . . .
C22 C21 H21A 109.103 no . . .
C22 C21 H21B 109.103 no . . .
H21A C21 H21B 107.851 no . . .
C21 C22 H22A 108.536 no . . .
C21 C22 H22B 108.530 no . . .
C23 C22 H22A 108.531 no . . .
C23 C22 H22B 108.534 no . . .
H22A C22 H22B 107.526 no . . .
C22 C23 H23A 108.691 no . . .
C22 C23 H23B 108.690 no . . .
C24 C23 H23A 108.686 no . . .
C24 C23 H23B 108.689 no . . .
H23A C23 H23B 107.616 no . . .
C23 C24 H24A 108.675 no . . .
C23 C24 H24B 108.676 no . . .
C25 C24 H24A 108.674 no . . .
C25 C24 H24B 108.673 no . . .
H24A C24 H24B 107.605 no . . .
C24 C25 H25A 108.624 no . . .
C24 C25 H25B 108.630 no . . .
C26 C25 H25A 108.625 no . . .
C26 C25 H25B 108.627 no . . .
H25A C25 H25B 107.581 no . . .
N2 C26 H26A 109.547 no . . .
N2 C26 H26B 109.550 no . . .
C25 C26 H26A 109.551 no . . .
C25 C26 H26B 109.549 no . . .
H26A C26 H26B 108.105 no . . .
C28 C29 H29 120.089 no . . .
C30 C29 H29 120.092 no . . .
C30 C31 H31 121.416 no . . .
C32 C31 H31 121.415 no . . .
C27 C32 H32 118.622 no . . .
C31 C32 H32 118.624 no . . .
C34 C35 H35 120.142 no . . .
C36 C35 H35 120.140 no . . .
C36 C37 H37 121.196 no . . .
C38 C37 H37 121.189 no . . .
C33 C38 H38 118.983 no . . .
C37 C38 H38 118.990 no . . .
N3 C39 H39 115.964 no . . .
C27 C39 H39 115.968 no . . .
N4 C40 H40 116.187 no . . .
C33 C40 H40 116.198 no . . .
N3 C41 H41A 109.269 no . . .
N3 C41 H41B 109.263 no . . .
C42 C41 H41A 109.267 no . . .
C42 C41 H41B 109.270 no . . .
H41A C41 H41B 107.936 no . . .
C41 C42 H42A 108.472 no . . .
C41 C42 H42B 108.471 no . . .
C43 C42 H42A 108.469 no . . .
C43 C42 H42B 108.471 no . . .
H42A C42 H42B 107.492 no . . .
C42 C43 H43A 108.860 no . . .
C42 C43 H43B 108.866 no . . .
C44 C43 H43A 108.864 no . . .
C44 C43 H43B 108.864 no . . .
H43A C43 H43B 107.706 no . . .
C43 C44 H44A 108.725 no . . .
C43 C44 H44B 108.722 no . . .
C45 C44 H44A 108.724 no . . .
C45 C44 H44B 108.727 no . . .
H44A C44 H44B 107.630 no . . .
C44 C45 H45A 108.714 no . . .
C44 C45 H45B 108.717 no . . .
C46 C45 H45A 108.715 no . . .
C46 C45 H45B 108.714 no . . .
H45A C45 H45B 107.622 no . . .
C45 C46 H46A 108.675 no . . .
C45 C46 H46B 108.669 no . . .
C47 C46 H46A 108.673 no . . .
C47 C46 H46B 108.673 no . . .
H46A C46 H46B 107.603 no . . .
C46 C47 H47A 108.829 no . . .
C46 C47 H47B 108.827 no . . .
C48 C47 H47A 108.833 no . . .
C48 C47 H47B 108.829 no . . .
H47A C47 H47B 107.688 no . . .
C47 C48 H48A 108.693 no . . .
C47 C48 H48B 108.687 no . . .
C49 C48 H48A 108.692 no . . .
C49 C48 H48B 108.689 no . . .
H48A C48 H48B 107.612 no . . .
C48 C49 H49A 108.734 no . . .
C48 C49 H49B 108.735 no . . .
C50 C49 H49A 108.731 no . . .
C50 C49 H49B 108.734 no . . .
H49A C49 H49B 107.641 no . . .
C49 C50 H50A 108.881 no . . .
C49 C50 H50B 108.885 no . . .
C51 C50 H50A 108.880 no . . .
C51 C50 H50B 108.880 no . . .
H50A C50 H50B 107.712 no . . .
C50 C51 H51A 108.451 no . . .
C50 C51 H51B 108.449 no . . .
C52 C51 H51A 108.455 no . . .
C52 C51 H51B 108.455 no . . .
H51A C51 H51B 107.482 no . . .
N4 C52 H52A 109.406 no . . .
N4 C52 H52B 109.408 no . . .
C51 C52 H52A 109.401 no . . .
C51 C52 H52B 109.398 no . . .
H52A C52 H52B 108.015 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Pt1 N1 C13 -2.61(19) no . . . .
O1 Pt1 N1 C15 176.02(16) no . . . .
N1 Pt1 O1 C2 -0.97(18) no . . . .
O1 Pt1 N2 C14 173.4(2) no . . . .
O1 Pt1 N2 C26 -10.59(17) no . . . .
N2 Pt1 O1 C2 179.64(18) no . . . .
O2 Pt1 N1 C13 176.98(19) no . . . .
O2 Pt1 N1 C15 -4.40(16) no . . . .
N1 Pt1 O2 C8 -174.98(19) no . . . .
O2 Pt1 N2 C14 -6.2(2) no . . . .
O2 Pt1 N2 C26 169.82(17) no . . . .
N2 Pt1 O2 C8 4.42(19) no . . . .
O3 Pt2 N3 C39 0.3(2) no . . . .
O3 Pt2 N3 C41 177.32(17) no . . . .
N3 Pt2 O3 C28 -2.91(19) no . . . .
O3 Pt2 N4 C40 172.1(2) no . . . .
O3 Pt2 N4 C52 -9.33(17) no . . . .
N4 Pt2 O3 C28 176.55(19) no . . . .
O4 Pt2 N3 C39 179.0(2) no . . . .
O4 Pt2 N3 C41 -4.03(18) no . . . .
N3 Pt2 O4 C34 -178.3(2) no . . . .
O4 Pt2 N4 C40 -6.5(2) no . . . .
O4 Pt2 N4 C52 172.02(17) no . . . .
N4 Pt2 O4 C34 2.3(2) no . . . .
Pt1 O1 C2 C1 3.4(4) no . . . .
Pt1 O1 C2 C3 -174.90(15) no . . . .
Pt1 O2 C8 C7 0.3(4) no . . . .
Pt1 O2 C8 C9 -178.74(15) no . . . .
Pt2 O3 C28 C27 3.2(4) no . . . .
Pt2 O3 C28 C29 -176.00(15) no . . . .
Pt2 O4 C34 C33 3.4(5) no . . . .
Pt2 O4 C34 C35 -176.36(16) no . . . .
Pt1 N1 C13 C1 4.2(5) no . . . .
Pt1 N1 C15 C16 -72.7(3) no . . . .
C13 N1 C15 C16 106.0(3) no . . . .
C15 N1 C13 C1 -174.5(3) no . . . .
Pt1 N2 C14 C7 3.8(5) no . . . .
Pt1 N2 C26 C25 -72.3(3) no . . . .
C14 N2 C26 C25 104.0(3) no . . . .
C26 N2 C14 C7 -172.4(3) no . . . .
Pt2 N3 C39 C27 2.2(5) no . . . .
Pt2 N3 C41 C42 -73.2(3) no . . . .
C39 N3 C41 C42 104.0(3) no . . . .
C41 N3 C39 C27 -175.0(3) no . . . .
Pt2 N4 C40 C33 5.8(5) no . . . .
Pt2 N4 C52 C51 -70.3(3) no . . . .
C40 N4 C52 C51 108.4(3) no . . . .
C52 N4 C40 C33 -172.8(3) no . . . .
C2 C1 C6 C5 2.1(5) no . . . .
C6 C1 C2 O1 179.7(3) no . . . .
C6 C1 C2 C3 -2.0(5) no . . . .
C2 C1 C13 N1 -1.7(5) no . . . .
C13 C1 C2 O1 -2.5(5) no . . . .
C13 C1 C2 C3 175.8(3) no . . . .
C6 C1 C13 N1 176.1(3) no . . . .
C13 C1 C6 C5 -175.8(3) no . . . .
O1 C2 C3 C4 178.7(3) no . . . .
C1 C2 C3 C4 0.3(5) no . . . .
C2 C3 C4 Cl1 -176.8(3) no . . . .
C2 C3 C4 C5 1.5(5) no . . . .
Cl1 C4 C5 C6 176.9(2) no . . . .
C3 C4 C5 C6 -1.4(5) no . . . .
C4 C5 C6 C1 -0.4(5) no . . . .
C8 C7 C12 C11 -0.4(5) no . . . .
C12 C7 C8 O2 179.9(3) no . . . .
C12 C7 C8 C9 -1.1(4) no . . . .
C8 C7 C14 N2 3.0(5) no . . . .
C14 C7 C8 O2 -5.3(5) no . . . .
C14 C7 C8 C9 173.7(3) no . . . .
C12 C7 C14 N2 177.8(3) no . . . .
C14 C7 C12 C11 -175.6(3) no . . . .
O2 C8 C9 C10 -179.2(3) no . . . .
C7 C8 C9 C10 1.7(5) no . . . .
C8 C9 C10 Cl2 -179.9(3) no . . . .
C8 C9 C10 C11 -0.9(5) no . . . .
Cl2 C10 C11 C12 178.4(2) no . . . .
C9 C10 C11 C12 -0.6(5) no . . . .
C10 C11 C12 C7 1.3(5) no . . . .
N1 C15 C16 C17 -58.9(3) no . . . .
C15 C16 C17 C18 170.7(2) no . . . .
C16 C17 C18 C19 -62.3(4) no . . . .
C17 C18 C19 C20 -64.2(4) no . . . .
C18 C19 C20 C21 162.5(3) no . . . .
C19 C20 C21 C22 175.3(3) no . . . .
C20 C21 C22 C23 168.6(3) no . . . .
C21 C22 C23 C24 -64.2(4) no . . . .
C22 C23 C24 C25 -61.3(4) no . . . .
C23 C24 C25 C26 169.5(2) no . . . .
C24 C25 C26 N2 -61.9(3) no . . . .
C28 C27 C32 C31 1.0(5) no . . . .
C32 C27 C28 O3 179.5(3) no . . . .
C32 C27 C28 C29 -1.3(4) no . . . .
C28 C27 C39 N3 -2.8(5) no . . . .
C39 C27 C28 O3 -0.2(5) no . . . .
C39 C27 C28 C29 178.9(3) no . . . .
C32 C27 C39 N3 177.5(3) no . . . .
C39 C27 C32 C31 -179.2(3) no . . . .
O3 C28 C29 C30 -179.3(3) no . . . .
C27 C28 C29 C30 1.4(5) no . . . .
C28 C29 C30 Cl3 179.5(3) no . . . .
C28 C29 C30 C31 -1.2(5) no . . . .
Cl3 C30 C31 C32 -179.8(2) no . . . .
C29 C30 C31 C32 0.8(5) no . . . .
C30 C31 C32 C27 -0.7(5) no . . . .
C34 C33 C38 C37 3.9(5) no . . . .
C38 C33 C34 O4 175.5(3) no . . . .
C38 C33 C34 C35 -4.8(5) no . . . .
C34 C33 C40 N4 1.3(5) no . . . .
C40 C33 C34 O4 -6.4(5) no . . . .
C40 C33 C34 C35 173.3(3) no . . . .
C38 C33 C40 N4 179.5(3) no . . . .
C40 C33 C38 C37 -174.3(3) no . . . .
O4 C34 C35 C36 -177.9(3) no . . . .
C33 C34 C35 C36 2.4(5) no . . . .
C34 C35 C36 Cl4 -177.3(3) no . . . .
C34 C35 C36 C37 1.3(5) no . . . .
Cl4 C36 C37 C38 176.3(2) no . . . .
C35 C36 C37 C38 -2.3(5) no . . . .
C36 C37 C38 C33 -0.4(5) no . . . .
N3 C41 C42 C43 -61.9(3) no . . . .
C41 C42 C43 C44 168.9(2) no . . . .
C42 C43 C44 C45 -63.1(4) no . . . .
C43 C44 C45 C46 -61.6(4) no . . . .
C44 C45 C46 C47 166.6(3) no . . . .
C45 C46 C47 C48 177.6(3) no . . . .
C46 C47 C48 C49 168.1(3) no . . . .
C47 C48 C49 C50 -65.8(4) no . . . .
C48 C49 C50 C51 -63.5(4) no . . . .
C49 C50 C51 C52 169.1(2) no . . . .
C50 C51 C52 N4 -61.4(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 C1 3.332(3) no . .
Pt1 C7 3.331(3) no . .
Pt1 C25 3.577(3) no . .
Pt2 C27 3.326(3) no . .
Pt2 C33 3.333(3) no . .
Pt2 C51 3.561(3) no . .
O1 C4 3.577(4) no . .
O1 C13 2.984(4) no . .
O1 C25 3.099(4) no . .
O1 C26 2.788(4) no . .
O2 C10 3.569(4) no . .
O2 C14 2.968(4) no . .
O2 C15 2.753(4) no . .
O2 C16 2.990(4) no . .
O3 C30 3.582(4) no . .
O3 C39 2.976(4) no . .
O3 C51 3.028(4) no . .
O3 C52 2.774(4) no . .
O4 C36 3.573(4) no . .
O4 C40 2.973(4) no . .
O4 C41 2.769(4) no . .
O4 C42 3.012(4) no . .
N1 C2 3.026(4) no . .
N1 C17 3.033(4) no . .
N2 C8 3.029(4) no . .
N2 C24 3.028(4) no . .
N3 C28 3.031(4) no . .
N3 C43 3.067(4) no . .
N4 C34 3.016(4) no . .
N4 C50 3.051(4) no . .
C1 C4 2.767(4) no . .
C2 C5 2.833(5) no . .
C3 C6 2.772(5) no . .
C7 C10 2.784(4) no . .
C8 C11 2.826(5) no . .
C9 C12 2.767(4) no . .
C13 C16 3.325(5) no . .
C13 C17 3.393(5) no . .
C14 C24 3.346(5) no . .
C14 C25 3.294(4) no . .
C16 C19 3.118(5) no . .
C17 C20 3.163(5) no . .
C21 C24 3.173(5) no . .
C22 C25 3.131(5) no . .
C27 C30 2.774(5) no . .
C28 C31 2.834(4) no . .
C29 C32 2.765(5) no . .
C33 C36 2.769(4) no . .
C34 C37 2.830(4) no . .
C35 C38 2.776(5) no . .
C39 C42 3.306(4) no . .
C39 C43 3.387(5) no . .
C40 C50 3.437(5) no . .
C40 C51 3.333(5) no . .
C42 C45 3.127(5) no . .
C43 C46 3.119(5) no . .
C47 C50 3.163(5) no . .
C48 C51 3.125(5) no . .
Pt1 C31 3.484(4) no . 1_565
Cl1 C12 3.537(4) no . 2_586
Cl3 C6 3.562(4) no . 2_676
Cl4 C12 3.588(4) no . 2_575
O1 C26 3.453(4) no . 2_586
O2 C31 3.525(4) no . 1_565
O2 C32 3.381(4) no . 1_565
O3 C38 3.301(4) no . 2_665
N4 N4 3.597(4) no . 2_665
N4 C33 3.507(4) no . 2_665
N4 C40 3.270(4) no . 2_665
C2 C26 3.576(5) no . 2_586
C3 C14 3.500(5) no . 2_586
C6 Cl3 3.562(4) no . 2_676
C8 C27 3.554(5) no . 1_565
C8 C32 3.403(5) no . 1_565
C9 C39 3.557(5) no . 1_565
C10 C39 3.537(5) no . 1_565
C11 C35 3.432(5) no . 2_575
C12 Cl1 3.537(4) no . 2_586
C12 Cl4 3.588(4) no . 2_575
C14 C3 3.500(5) no . 2_586
C26 O1 3.453(4) no . 2_586
C26 C2 3.576(5) no . 2_586
C27 C8 3.554(5) no . 1_545
C31 Pt1 3.484(4) no . 1_545
C31 O2 3.525(4) no . 1_545
C32 O2 3.381(4) no . 1_545
C32 C8 3.403(5) no . 1_545
C33 N4 3.507(4) no . 2_665
C33 C52 3.436(5) no . 2_665
C35 C11 3.432(5) no . 2_575
C38 O3 3.301(4) no . 2_665
C39 C9 3.557(5) no . 1_545
C39 C10 3.537(5) no . 1_545
C40 N4 3.270(4) no . 2_665
C40 C40 3.435(5) no . 2_665
C52 C33 3.436(5) no . 2_665
Pt1 H15B 3.1302 no . .
Pt1 H16A 3.2117 no . .
Pt1 H25B 3.1456 no . .
Pt1 H26B 3.1338 no . .
Pt2 H41B 3.1367 no . .
Pt2 H42B 3.2052 no . .
Pt2 H51B 3.1308 no . .
Pt2 H52B 3.1406 no . .
Cl1 H3 2.7838 no . .
Cl1 H5 2.8045 no . .
Cl2 H9 2.7939 no . .
Cl2 H11 2.8021 no . .
Cl3 H29 2.7917 no . .
Cl3 H31 2.8056 no . .
Cl4 H35 2.7785 no . .
Cl4 H37 2.8125 no . .
O1 H3 2.4962 no . .
O1 H25A 3.5794 no . .
O1 H25B 2.5161 no . .
O1 H26B 2.3406 no . .
O2 H9 2.4885 no . .
O2 H15B 2.3563 no . .
O2 H16A 2.3626 no . .
O2 H16B 3.5192 no . .
O3 H29 2.4998 no . .
O3 H51A 3.5197 no . .
O3 H51B 2.4127 no . .
O3 H52B 2.3621 no . .
O4 H35 2.5012 no . .
O4 H41B 2.3747 no . .
O4 H42A 3.5088 no . .
O4 H42B 2.3914 no . .
N1 H16A 2.7013 no . .
N1 H16B 3.3270 no . .
N1 H17A 2.6396 no . .
N1 H17B 3.4382 no . .
N2 H24A 2.6261 no . .
N2 H24B 3.4621 no . .
N2 H25A 3.3083 no . .
N2 H25B 2.6507 no . .
N3 H42A 3.3263 no . .
N3 H42B 2.6772 no . .
N3 H43A 2.6731 no . .
N3 H43B 3.5064 no . .
N4 H50A 3.4889 no . .
N4 H50B 2.6599 no . .
N4 H51A 3.3113 no . .
N4 H51B 2.6641 no . .
C1 H3 3.2886 no . .
C1 H5 3.2981 no . .
C2 H6 3.2882 no . .
C2 H13 3.3332 no . .
C2 H25B 3.4160 no . .
C2 H26B 3.4641 no . .
C3 H5 3.2844 no . .
C4 H6 3.2218 no . .
C5 H3 3.2791 no . .
C6 H13 2.5231 no . .
C7 H9 3.2931 no . .
C7 H11 3.2973 no . .
C7 H24A 3.5149 no . .
C8 H12 3.2873 no . .
C8 H14 3.3302 no . .
C8 H15B 3.4379 no . .
C8 H16A 3.2704 no . .
C9 H11 3.2793 no . .
C9 H16A 3.5782 no . .
C10 H12 3.2288 no . .
C11 H9 3.2759 no . .
C12 H14 2.5332 no . .
C13 H6 2.5567 no . .
C13 H15A 2.3990 no . .
C13 H15B 3.0540 no . .
C13 H17A 2.8134 no . .
C13 H17B 3.5395 no . .
C14 H12 2.5708 no . .
C14 H24A 2.7205 no . .
C14 H24B 3.5451 no . .
C14 H26A 2.4177 no . .
C14 H26B 3.0764 no . .
C15 H13 2.4040 no . .
C15 H17A 2.6947 no . .
C15 H17B 2.8237 no . .
C16 H13 3.3842 no . .
C16 H18A 3.3750 no . .
C16 H18B 2.7286 no . .
C16 H19A 2.7734 no . .
C16 H20B 3.4512 no . .
C17 H13 3.3551 no . .
C17 H15A 2.7872 no . .
C17 H15B 3.3958 no . .
C17 H19A 2.7577 no . .
C17 H19B 3.4073 no . .
C17 H20B 2.7312 no . .
C18 H16A 2.6517 no . .
C18 H16B 2.7852 no . .
C18 H20A 2.8804 no . .
C18 H20B 2.6361 no . .
C19 H16A 2.7012 no . .
C19 H16B 3.5130 no . .
C19 H17A 2.7726 no . .
C19 H17B 3.4103 no . .
C19 H21A 2.7247 no . .
C19 H21B 2.7913 no . .
C20 H16A 3.3957 no . .
C20 H17A 2.8355 no . .
C20 H18A 2.7419 no . .
C20 H18B 3.3968 no . .
C20 H22A 2.8017 no . .
C20 H22B 2.6380 no . .
C21 H19A 2.6397 no . .
C21 H19B 2.8816 no . .
C21 H23A 3.4108 no . .
C21 H23B 2.7628 no . .
C21 H24A 2.8493 no . .
C21 H25B 3.4034 no . .
C22 H20A 2.6821 no . .
C22 H20B 2.7508 no . .
C22 H24A 2.7685 no . .
C22 H24B 3.4027 no . .
C22 H25A 3.5424 no . .
C22 H25B 2.7196 no . .
C23 H21A 2.8618 no . .
C23 H21B 2.7036 no . .
C23 H25A 2.8287 no . .
C23 H25B 2.6815 no . .
C24 H14 3.3002 no . .
C24 H21B 2.7820 no . .
C24 H22A 3.4000 no . .
C24 H22B 2.7473 no . .
C24 H26A 2.7589 no . .
C24 H26B 3.3969 no . .
C25 H14 3.3660 no . .
C25 H21B 3.4415 no . .
C25 H22B 2.7799 no . .
C25 H23A 2.7670 no . .
C25 H23B 3.3995 no . .
C26 H14 2.4180 no . .
C26 H24A 2.6761 no . .
C26 H24B 2.8219 no . .
C27 H29 3.2875 no . .
C27 H31 3.3050 no . .
C28 H32 3.2769 no . .
C28 H39 3.3280 no . .
C28 H51B 3.2658 no . .
C28 H52B 3.4895 no . .
C29 H31 3.2857 no . .
C30 H32 3.2196 no . .
C31 H29 3.2793 no . .
C32 H39 2.5269 no . .
C33 H35 3.2920 no . .
C33 H37 3.2966 no . .
C34 H38 3.2870 no . .
C34 H40 3.3288 no . .
C34 H41B 3.4757 no . .
C34 H42B 3.2877 no . .
C35 H37 3.2825 no . .
C35 H42B 3.5918 no . .
C36 H38 3.2296 no . .
C37 H35 3.2798 no . .
C38 H40 2.5289 no . .
C39 H32 2.5568 no . .
C39 H41A 2.4040 no . .
C39 H41B 3.0640 no . .
C39 H43A 2.7748 no . .
C39 H43B 3.5914 no . .
C40 H38 2.5648 no . .
C40 H50B 2.8401 no . .
C40 H52A 2.3928 no . .
C40 H52B 3.0440 no . .
C41 H39 2.4005 no . .
C41 H43A 2.6887 no . .
C41 H43B 2.8412 no . .
C42 H39 3.3474 no . .
C42 H44A 3.3853 no . .
C42 H44B 2.7339 no . .
C42 H45A 2.7968 no . .
C42 H46A 3.3677 no . .
C43 H39 3.2995 no . .
C43 H41A 2.7695 no . .
C43 H41B 3.4011 no . .
C43 H45A 2.7650 no . .
C43 H45B 3.4003 no . .
C43 H46A 2.6915 no . .
C43 H46B 3.5651 no . .
C44 H42A 2.8108 no . .
C44 H42B 2.6538 no . .
C44 H46A 2.6480 no . .
C44 H46B 2.8368 no . .
C45 H42A 3.5505 no . .
C45 H42B 2.7058 no . .
C45 H43A 2.7534 no . .
C45 H43B 3.4028 no . .
C45 H47A 2.7190 no . .
C45 H47B 2.7529 no . .
C46 H42B 3.3620 no . .
C46 H43A 2.7811 no . .
C46 H44A 2.7547 no . .
C46 H44B 3.3854 no . .
C46 H48A 2.6531 no . .
C46 H48B 2.8207 no . .
C47 H45A 2.6425 no . .
C47 H45B 2.8295 no . .
C47 H49A 2.7343 no . .
C47 H49B 3.3956 no . .
C47 H50B 2.8255 no . .
C47 H51B 3.4539 no . .
C48 H46A 2.7486 no . .
C48 H46B 2.7141 no . .
C48 H50A 3.3955 no . .
C48 H50B 2.7440 no . .
C48 H51A 3.5487 no . .
C48 H51B 2.7074 no . .
C49 H47A 2.8412 no . .
C49 H47B 2.6744 no . .
C49 H51A 2.8094 no . .
C49 H51B 2.6548 no . .
C50 H40 3.4327 no . .
C50 H47B 2.7637 no . .
C50 H48A 2.7286 no . .
C50 H48B 3.3906 no . .
C50 H52A 2.7796 no . .
C50 H52B 3.4083 no . .
C51 H40 3.4210 no . .
C51 H47B 3.4899 no . .
C51 H48A 2.7641 no . .
C51 H49A 3.3860 no . .
C51 H49B 2.7299 no . .
C52 H40 2.4084 no . .
C52 H50A 2.8466 no . .
C52 H50B 2.6966 no . .
H3 H25B 3.5010 no . .
H3 H26B 3.3315 no . .
H5 H6 2.3251 no . .
H6 H13 2.2883 no . .
H9 H15B 3.3204 no . .
H9 H16A 3.2050 no . .
H11 H12 2.3124 no . .
H12 H14 2.3054 no . .
H13 H15A 2.0582 no . .
H13 H15B 3.1672 no . .
H13 H17A 2.9376 no . .
H13 H17B 3.2312 no . .
H14 H24A 2.8172 no . .
H14 H24B 3.2257 no . .
H14 H26A 2.0822 no . .
H14 H26B 3.1921 no . .
H15A H16A 2.8613 no . .
H15A H16B 2.3552 no . .
H15A H17A 2.9803 no . .
H15A H17B 2.6895 no . .
H15B H16A 2.3475 no . .
H15B H16B 2.3484 no . .
H16A H17A 2.4194 no . .
H16A H17B 2.8494 no . .
H16A H18A 3.5733 no . .
H16A H18B 2.8935 no . .
H16A H19A 2.1113 no . .
H16A H19B 3.5489 no . .
H16A H20B 3.1331 no . .
H16A H21B 3.5411 no . .
H16B H17A 2.8502 no . .
H16B H17B 2.3125 no . .
H16B H18B 2.6079 no . .
H16B H19A 3.1272 no . .
H17A H18A 2.3780 no . .
H17A H18B 2.8669 no . .
H17A H19A 3.0352 no . .
H17A H20A 3.3120 no . .
H17A H20B 2.1474 no . .
H17B H18A 2.3335 no . .
H17B H18B 2.3742 no . .
H17B H20B 3.5686 no . .
H18A H19A 2.8649 no . .
H18A H19B 2.3832 no . .
H18A H20A 2.7110 no . .
H18A H20B 2.8170 no . .
H18B H19A 2.3849 no . .
H18B H19B 2.3194 no . .
H18B H20B 3.5730 no . .
H19A H20A 2.8497 no . .
H19A H20B 2.4816 no . .
H19A H21A 2.7881 no . .
H19A H21B 2.5169 no . .
H19B H20A 2.2830 no . .
H19B H20B 2.8494 no . .
H19B H21A 2.7024 no . .
H19B H21B 3.2668 no . .
H20A H21A 2.4002 no . .
H20A H21B 2.8600 no . .
H20A H22A 2.5853 no . .
H20A H22B 2.7999 no . .
H20B H21A 2.8604 no . .
H20B H21B 2.3460 no . .
H20B H22A 3.1576 no . .
H20B H22B 2.4844 no . .
H21A H22A 2.3200 no . .
H21A H22B 2.8624 no . .
H21A H23B 2.6887 no . .
H21A H24A 3.2487 no . .
H21B H22A 2.8636 no . .
H21B H22B 2.4498 no . .
H21B H23B 2.9172 no . .
H21B H24A 2.2098 no . .
H21B H25B 3.0967 no . .
H22A H23A 2.3168 no . .
H22A H23B 2.3820 no . .
H22A H25B 3.5698 no . .
H22B H23A 2.3805 no . .
H22B H23B 2.8631 no . .
H22B H24A 3.0363 no . .
H22B H25A 3.1447 no . .
H22B H25B 2.1260 no . .
H23A H24A 2.8646 no . .
H23A H24B 2.3674 no . .
H23A H25A 2.6685 no . .
H23A H25B 2.9305 no . .
H23B H24A 2.3672 no . .
H23B H24B 2.3347 no . .
H23B H25B 3.5996 no . .
H24A H25A 2.8556 no . .
H24A H25B 2.4354 no . .
H24A H26A 2.9183 no . .
H24A H26B 3.5982 no . .
H24B H25A 2.3148 no . .
H24B H25B 2.8556 no . .
H24B H26A 2.6647 no . .
H25A H26A 2.3717 no . .
H25A H26B 2.3323 no . .
H25B H26A 2.8596 no . .
H25B H26B 2.3622 no . .
H29 H51B 3.3586 no . .
H29 H52B 3.3501 no . .
H31 H32 2.3259 no . .
H32 H39 2.2886 no . .
H35 H41B 3.3712 no . .
H35 H42B 3.2182 no . .
H37 H38 2.3260 no . .
H38 H40 2.3013 no . .
H39 H41A 2.0620 no . .
H39 H41B 3.1800 no . .
H39 H43A 2.8249 no . .
H39 H43B 3.2348 no . .
H40 H50A 3.3615 no . .
H40 H50B 2.9809 no . .
H40 H52A 2.0538 no . .
H40 H52B 3.1493 no . .
H41A H42A 2.3668 no . .
H41A H42B 2.8573 no . .
H41A H43A 2.9309 no . .
H41A H43B 2.6874 no . .
H41B H42A 2.3259 no . .
H41B H42B 2.3587 no . .
H42A H43A 2.8543 no . .
H42A H43B 2.3106 no . .
H42A H44B 2.6334 no . .
H42A H45A 3.1747 no . .
H42B H43A 2.4375 no . .
H42B H43B 2.8537 no . .
H42B H44A 3.5803 no . .
H42B H44B 2.8778 no . .
H42B H45A 2.1294 no . .
H42B H45B 3.5639 no . .
H42B H46A 3.0488 no . .
H42B H47B 3.5986 no . .
H43A H44A 2.3764 no . .
H43A H44B 2.8627 no . .
H43A H45A 3.0416 no . .
H43A H46A 2.1053 no . .
H43A H46B 3.1842 no . .
H43B H44A 2.3246 no . .
H43B H44B 2.3750 no . .
H43B H46A 3.5447 no . .
H44A H45A 2.8689 no . .
H44A H45B 2.3744 no . .
H44A H46A 2.8834 no . .
H44A H46B 2.6803 no . .
H44B H45A 2.3743 no . .
H44B H45B 2.3391 no . .
H44B H46A 3.5715 no . .
H45A H46A 2.4382 no . .
H45A H46B 2.8400 no . .
H45A H47A 2.8353 no . .
H45A H47B 2.4860 no . .
H45B H46A 2.8399 no . .
H45B H46B 2.2843 no . .
H45B H47A 2.6492 no . .
H45B H47B 3.1788 no . .
H46A H47A 2.8575 no . .
H46A H47B 2.3551 no . .
H46A H48A 2.4864 no . .
H46A H48B 3.1580 no . .
H46B H47A 2.3831 no . .
H46B H47B 2.8573 no . .
H46B H48A 2.8448 no . .
H46B H48B 2.6285 no . .
H47A H48A 2.8552 no . .
H47A H48B 2.3087 no . .
H47A H49A 2.6547 no . .
H47A H50B 3.2521 no . .
H47B H48A 2.4445 no . .
H47B H48B 2.8553 no . .
H47B H49A 2.8668 no . .
H47B H50A 3.5988 no . .
H47B H50B 2.1704 no . .
H47B H51B 3.1831 no . .
H48A H49A 2.8648 no . .
H48A H49B 2.3933 no . .
H48A H50B 2.9856 no . .
H48A H51A 3.1634 no . .
H48A H51B 2.0943 no . .
H48B H49A 2.3937 no . .
H48B H49B 2.3124 no . .
H48B H51B 3.5323 no . .
H49A H50A 2.3201 no . .
H49A H50B 2.3763 no . .
H49A H51B 3.5826 no . .
H49B H50A 2.3748 no . .
H49B H50B 2.8607 no . .
H49B H51A 2.6279 no . .
H49B H51B 2.8739 no . .
H50A H51A 2.3152 no . .
H50A H51B 2.8569 no . .
H50A H52A 2.6975 no . .
H50B H51A 2.8577 no . .
H50B H51B 2.4403 no . .
H50B H52A 2.9442 no . .
H51A H52A 2.3681 no . .
H51A H52B 2.3321 no . .
H51B H52A 2.8594 no . .
H51B H52B 2.3584 no . .
Pt1 H31 3.2100 no . 1_565
Pt2 H40 3.3210 no . 2_665
Cl1 H12 3.1357 no . 2_586
Cl1 H14 3.5811 no . 2_586
Cl1 H19B 3.5842 no . 2_576
Cl1 H21A 3.0757 no . 2_576
Cl1 H32 3.3544 no . 2_576
Cl1 H39 2.9146 no . 2_576
Cl1 H41A 3.4726 no . 2_576
Cl1 H43B 3.5228 no . 2_576
Cl1 H49B 3.0925 no . 2_676
Cl1 H51A 2.9787 no . 2_676
Cl2 H35 3.5522 no . 2_575
Cl2 H40 2.9621 no . 2_675
Cl2 H41B 3.4526 no . 1_565
Cl2 H41B 3.1583 no . 2_575
Cl2 H44B 3.5746 no . .
Cl2 H45B 3.1204 no . .
Cl2 H50A 3.3509 no . 2_675
Cl2 H52A 3.0611 no . 2_675
Cl3 H13 3.5993 no . 1_545
Cl3 H14 3.4866 no . 1_645
Cl3 H15B 3.5761 no . 1_545
Cl3 H24B 3.0865 no . 1_645
Cl3 H26A 3.0388 no . 1_645
Cl4 H21A 3.3512 no . 2_575
Cl4 H21B 3.0898 no . 2_575
Cl4 H24A 3.0846 no . 2_575
Cl4 H43B 3.5608 no . 2_575
Cl4 H44A 3.3991 no . 2_575
Cl4 H48B 3.2109 no . 2_675
O1 H22A 3.3318 no . 2_576
O1 H26A 3.2679 no . 2_586
O1 H26B 2.8044 no . 2_586
O2 H32 3.5273 no . 1_565
O3 H38 2.9304 no . 2_665
O4 H52A 3.4952 no . 2_665
N2 H3 3.3074 no . 2_586
N4 H40 3.3860 no . 2_665
C1 H22A 2.9616 no . 2_576
C2 H22A 2.7749 no . 2_576
C2 H26A 3.0598 no . 2_586
C2 H26B 3.2630 no . 2_586
C3 H14 3.1753 no . 2_586
C3 H20A 3.1626 no . 2_576
C3 H21A 3.2871 no . 2_576
C3 H22A 2.9278 no . 2_576
C3 H26A 3.1838 no . 2_586
C3 H26B 3.5939 no . 2_586
C3 H32 3.2637 no . 2_576
C4 H14 3.2696 no . 2_586
C4 H21A 3.0027 no . 2_576
C4 H22A 3.2383 no . 2_576
C5 H17B 2.9747 no . 2_676
C5 H18A 3.5171 no . 2_676
C5 H21A 3.5829 no . 2_576
C5 H22A 3.4573 no . 2_576
C5 H23B 3.4636 no . 2_576
C6 H17B 3.0174 no . 2_676
C6 H18A 3.4336 no . 2_676
C6 H22A 3.3079 no . 2_576
C6 H23B 3.5265 no . 2_576
C7 H32 3.2096 no . 1_565
C7 H39 3.4230 no . 1_565
C8 H32 3.3484 no . 1_565
C9 H38 3.2577 no . 2_675
C9 H44A 3.1402 no . .
C10 H35 3.4018 no . 2_575
C10 H39 3.5184 no . 1_565
C10 H44A 3.4984 no . .
C11 H35 3.3436 no . 2_575
C11 H39 3.3233 no . 1_565
C11 H41A 3.1927 no . 1_565
C11 H51A 3.0396 no . 1_465
C11 H52A 3.2846 no . 1_465
C11 H52B 3.3112 no . 1_465
C12 H39 3.2681 no . 1_565
C12 H51A 3.1106 no . 1_465
C12 H52B 3.5407 no . 1_465
C13 H24B 3.2911 no . 1_655
C14 H3 3.2015 no . 2_586
C14 H32 3.3795 no . 1_565
C15 H24B 3.3990 no . 1_655
C15 H37 2.9020 no . 2_675
C16 H37 3.3052 no . 2_675
C16 H46B 3.0280 no . .
C17 H5 3.2578 no . 2_676
C17 H6 3.2031 no . 2_676
C18 H5 3.1943 no . 2_676
C18 H6 3.3889 no . 2_676
C18 H46A 3.5806 no . .
C19 H43A 3.1586 no . .
C20 H22B 3.0990 no . 2_576
C20 H25B 3.5828 no . 2_576
C22 H20B 3.2137 no . 2_576
C22 H22B 3.1670 no . 2_576
C23 H13 3.1337 no . 1_455
C23 H15A 3.3465 no . 1_455
C24 H13 3.2038 no . 1_455
C24 H15A 3.2150 no . 1_455
C25 H20A 3.3623 no . 2_576
C25 H31 3.2655 no . 2_576
C26 H3 3.5916 no . 2_586
C26 H26B 3.5740 no . 2_586
C26 H31 3.3008 no . 2_576
C27 H18B 3.5771 no . .
C27 H19B 3.2869 no . .
C28 H38 3.3209 no . 2_665
C29 H5 3.5952 no . 2_676
C29 H15B 3.2567 no . 1_545
C29 H37 3.4892 no . 2_665
C30 H15B 3.0955 no . 1_545
C30 H18A 3.5070 no . .
C31 H15B 3.5166 no . 1_545
C31 H18A 3.1650 no . .
C31 H25A 3.2300 no . 2_576
C32 H3 3.2453 no . 2_576
C32 H18A 3.2773 no . .
C32 H19B 3.0444 no . .
C33 H47A 3.0210 no . 2_675
C33 H52A 3.5105 no . 2_665
C33 H52B 2.8338 no . 2_665
C34 H11 3.5979 no . 2_575
C34 H47A 3.3152 no . 2_675
C34 H49A 3.5950 no . 2_675
C34 H52A 3.3761 no . 2_665
C34 H52B 3.1450 no . 2_665
C35 H11 3.2692 no . 2_575
C35 H44B 3.3407 no . 2_575
C35 H48B 3.4160 no . 2_675
C35 H49A 3.1400 no . 2_675
C35 H52B 3.5484 no . 2_665
C36 H48B 2.8483 no . 2_675
C36 H49A 3.5295 no . 2_675
C37 H15B 3.2741 no . 2_675
C37 H16B 3.3175 no . 2_675
C37 H29 3.5577 no . 2_665
C37 H47A 3.5163 no . 2_675
C37 H48B 2.9710 no . 2_675
C37 H52B 3.3197 no . 2_665
C38 H9 3.3025 no . 2_675
C38 H46B 3.5110 no . 2_675
C38 H47A 3.1710 no . 2_675
C38 H48B 3.5691 no . 2_675
C38 H52B 2.8937 no . 2_665
C39 H19B 3.2860 no . .
C40 H47A 3.4814 no . 2_675
C40 H52B 3.4702 no . 2_665
C41 H50A 3.1862 no . 1_455
C42 H49B 3.4270 no . 1_455
C42 H50A 3.3115 no . 1_455
C43 H19A 3.4054 no . .
C43 H19B 3.3793 no . .
C43 H49B 3.2293 no . 1_455
C44 H19A 3.5541 no . .
C44 H35 3.1964 no . 2_575
C45 H9 3.5810 no . .
C45 H49A 3.5661 no . 2_675
C45 H50A 3.2286 no . 2_675
C45 H50B 3.2239 no . 2_675
C46 H16B 3.1818 no . .
C46 H18B 3.3908 no . .
C47 H47B 3.4730 no . 2_675
C47 H50B 3.5865 no . 2_675
C48 H16B 3.5243 no . .
C49 H42A 3.2992 no . 1_655
C49 H43B 3.1917 no . 1_655
C49 H45A 3.3638 no . 2_675
C50 H41A 3.2982 no . 1_655
C50 H42A 3.3789 no . 1_655
C50 H45A 3.1786 no . 2_675
C50 H45B 3.1467 no . 2_675
C51 H11 3.1024 no . 1_645
C51 H12 3.4001 no . 1_645
C51 H41A 3.3803 no . 1_655
C52 H11 2.7743 no . 1_645
C52 H12 3.5933 no . 1_645
H3 N2 3.3074 no . 2_586
H3 C14 3.2015 no . 2_586
H3 C26 3.5916 no . 2_586
H3 C32 3.2453 no . 2_576
H3 H14 3.1383 no . 2_586
H3 H19B 3.5412 no . 2_576
H3 H20A 2.8183 no . 2_576
H3 H21A 3.4371 no . 2_576
H3 H22A 3.3736 no . 2_576
H3 H26A 3.3507 no . 2_586
H3 H26B 3.4780 no . 2_586
H3 H31 3.3852 no . 2_576
H3 H32 2.3778 no . 2_576
H5 C17 3.2578 no . 2_676
H5 C18 3.1943 no . 2_676
H5 C29 3.5952 no . 2_676
H5 H17B 2.5185 no . 2_676
H5 H18A 2.9517 no . 2_676
H5 H18B 2.8791 no . 2_676
H5 H29 3.5170 no . 2_676
H5 H48A 3.3279 no . 2_676
H6 C17 3.2031 no . 2_676
H6 C18 3.3889 no . 2_676
H6 H17A 3.2541 no . 2_676
H6 H17B 2.5787 no . 2_676
H6 H18A 2.7469 no . 2_676
H6 H23A 2.9542 no . 1_655
H6 H25A 3.5090 no . 1_655
H9 C38 3.3025 no . 2_675
H9 C45 3.5810 no . .
H9 H38 2.4412 no . 2_675
H9 H40 3.4967 no . 2_675
H9 H44A 2.9595 no . .
H9 H45B 3.0060 no . .
H9 H46B 3.1335 no . .
H11 C34 3.5979 no . 2_575
H11 C35 3.2692 no . 2_575
H11 C51 3.1024 no . 1_465
H11 C52 2.7743 no . 1_465
H11 H35 3.3155 no . 2_575
H11 H41A 3.0317 no . 1_565
H11 H41B 3.4228 no . 1_565
H11 H51A 2.5244 no . 1_465
H11 H52A 2.3470 no . 1_465
H11 H52B 2.5959 no . 1_465
H12 Cl1 3.1357 no . 2_586
H12 C51 3.4001 no . 1_465
H12 C52 3.5933 no . 1_465
H12 H29 2.7684 no . 1_465
H12 H51A 2.6495 no . 1_465
H12 H51B 3.5767 no . 1_465
H12 H52B 3.0336 no . 1_465
H13 Cl3 3.5993 no . 1_565
H13 C23 3.1337 no . 1_655
H13 C24 3.2038 no . 1_655
H13 H23A 2.7327 no . 1_655
H13 H23B 2.9927 no . 1_655
H13 H24B 2.4858 no . 1_655
H14 Cl1 3.5811 no . 2_586
H14 Cl3 3.4866 no . 1_465
H14 C3 3.1753 no . 2_586
H14 C4 3.2696 no . 2_586
H14 H3 3.1383 no . 2_586
H14 H29 3.2142 no . 1_465
H15A C23 3.3465 no . 1_655
H15A C24 3.2150 no . 1_655
H15A H23A 3.5435 no . 1_655
H15A H23B 2.7678 no . 1_655
H15A H24A 3.4236 no . 1_655
H15A H24B 2.5018 no . 1_655
H15A H37 2.7317 no . 2_675
H15B Cl3 3.5761 no . 1_565
H15B C29 3.2567 no . 1_565
H15B C30 3.0955 no . 1_565
H15B C31 3.5166 no . 1_565
H15B C37 3.2741 no . 2_675
H15B H29 3.5158 no . 1_565
H15B H37 2.4006 no . 2_675
H15B H38 3.4579 no . 2_675
H16A H44A 3.5097 no . .
H16A H46B 2.8891 no . .
H16B C37 3.3175 no . 2_675
H16B C46 3.1818 no . .
H16B C48 3.5243 no . .
H16B H37 2.7447 no . 2_675
H16B H46A 3.3300 no . .
H16B H46B 2.2979 no . .
H16B H48A 3.4328 no . .
H16B H48B 2.9099 no . .
H17A H6 3.2541 no . 2_676
H17A H22A 3.5179 no . 2_576
H17A H23A 2.9667 no . 2_576
H17B C5 2.9747 no . 2_676
H17B C6 3.0174 no . 2_676
H17B H5 2.5185 no . 2_676
H17B H6 2.5787 no . 2_676
H17B H23B 2.8614 no . 1_655
H18A C5 3.5171 no . 2_676
H18A C6 3.4336 no . 2_676
H18A C30 3.5070 no . .
H18A C31 3.1650 no . .
H18A C32 3.2773 no . .
H18A H5 2.9517 no . 2_676
H18A H6 2.7469 no . 2_676
H18A H23A 3.5850 no . 2_576
H18A H25A 3.2671 no . 2_576
H18A H31 3.3859 no . .
H18A H32 3.5642 no . .
H18B C27 3.5771 no . .
H18B C46 3.3908 no . .
H18B H5 2.8791 no . 2_676
H18B H43A 3.3279 no . .
H18B H46A 2.7549 no . .
H18B H46B 3.1203 no . .
H18B H48A 3.1110 no . .
H19A C43 3.4054 no . .
H19A C44 3.5541 no . .
H19A H43A 2.8472 no . .
H19A H43B 3.3585 no . .
H19A H44A 2.9029 no . .
H19A H46A 3.3683 no . .
H19A H46B 3.3508 no . .
H19B Cl1 3.5842 no . 2_576
H19B C27 3.2869 no . .
H19B C32 3.0444 no . .
H19B C39 3.2860 no . .
H19B C43 3.3793 no . .
H19B H3 3.5412 no . 2_576
H19B H32 2.8231 no . .
H19B H39 3.0792 no . .
H19B H43A 2.6311 no . .
H19B H43B 3.2600 no . .
H20A C3 3.1626 no . 2_576
H20A C25 3.3623 no . 2_576
H20A H3 2.8183 no . 2_576
H20A H22B 2.7969 no . 2_576
H20A H25A 3.0480 no . 2_576
H20A H25B 2.7458 no . 2_576
H20A H32 3.4616 no . .
H20B C22 3.2137 no . 2_576
H20B H22A 3.0457 no . 2_576
H20B H22B 2.5829 no . 2_576
H20B H23A 3.2907 no . 2_576
H20B H25B 3.5575 no . 2_576
H21A Cl1 3.0757 no . 2_576
H21A Cl4 3.3512 no . 2_575
H21A C3 3.2871 no . 2_576
H21A C4 3.0027 no . 2_576
H21A C5 3.5829 no . 2_576
H21A H3 3.4371 no . 2_576
H21B Cl4 3.0898 no . 2_575
H22A O1 3.3318 no . 2_576
H22A C1 2.9616 no . 2_576
H22A C2 2.7749 no . 2_576
H22A C3 2.9278 no . 2_576
H22A C4 3.2383 no . 2_576
H22A C5 3.4573 no . 2_576
H22A C6 3.3079 no . 2_576
H22A H3 3.3736 no . 2_576
H22A H17A 3.5179 no . 2_576
H22A H20B 3.0457 no . 2_576
H22A H22B 3.1323 no . 2_576
H22A H25B 3.5497 no . 2_576
H22B C20 3.0990 no . 2_576
H22B C22 3.1670 no . 2_576
H22B H20A 2.7969 no . 2_576
H22B H20B 2.5829 no . 2_576
H22B H22A 3.1323 no . 2_576
H22B H22B 2.4411 no . 2_576
H23A H6 2.9542 no . 1_455
H23A H13 2.7327 no . 1_455
H23A H15A 3.5435 no . 1_455
H23A H17A 2.9667 no . 2_576
H23A H18A 3.5850 no . 2_576
H23A H20B 3.2907 no . 2_576
H23B C5 3.4636 no . 2_576
H23B C6 3.5265 no . 2_576
H23B H13 2.9927 no . 1_455
H23B H15A 2.7678 no . 1_455
H23B H17B 2.8614 no . 1_455
H24A Cl4 3.0846 no . 2_575
H24A H15A 3.4236 no . 1_455
H24B Cl3 3.0865 no . 1_465
H24B C13 3.2911 no . 1_455
H24B C15 3.3990 no . 1_455
H24B H13 2.4858 no . 1_455
H24B H15A 2.5018 no . 1_455
H25A C31 3.2300 no . 2_576
H25A H6 3.5090 no . 1_455
H25A H18A 3.2671 no . 2_576
H25A H20A 3.0480 no . 2_576
H25A H31 2.5031 no . 2_576
H25B C20 3.5828 no . 2_576
H25B H20A 2.7458 no . 2_576
H25B H20B 3.5575 no . 2_576
H25B H22A 3.5497 no . 2_576
H26A Cl3 3.0388 no . 1_465
H26A O1 3.2679 no . 2_586
H26A C2 3.0598 no . 2_586
H26A C3 3.1838 no . 2_586
H26A H3 3.3507 no . 2_586
H26A H31 3.3293 no . 2_576
H26B O1 2.8044 no . 2_586
H26B C2 3.2630 no . 2_586
H26B C3 3.5939 no . 2_586
H26B C26 3.5740 no . 2_586
H26B H3 3.4780 no . 2_586
H26B H26B 2.7203 no . 2_586
H26B H31 2.8218 no . 2_576
H29 C37 3.5577 no . 2_665
H29 H5 3.5170 no . 2_676
H29 H12 2.7684 no . 1_645
H29 H14 3.2142 no . 1_645
H29 H15B 3.5158 no . 1_545
H29 H37 3.1924 no . 2_665
H31 Pt1 3.2100 no . 1_545
H31 C25 3.2655 no . 2_576
H31 C26 3.3008 no . 2_576
H31 H3 3.3852 no . 2_576
H31 H18A 3.3859 no . .
H31 H25A 2.5031 no . 2_576
H31 H26A 3.3293 no . 2_576
H31 H26B 2.8218 no . 2_576
H32 Cl1 3.3544 no . 2_576
H32 O2 3.5273 no . 1_545
H32 C3 3.2637 no . 2_576
H32 C7 3.2096 no . 1_545
H32 C8 3.3484 no . 1_545
H32 C14 3.3795 no . 1_545
H32 H3 2.3778 no . 2_576
H32 H18A 3.5642 no . .
H32 H19B 2.8231 no . .
H32 H20A 3.4616 no . .
H35 Cl2 3.5522 no . 2_575
H35 C10 3.4018 no . 2_575
H35 C11 3.3436 no . 2_575
H35 C44 3.1964 no . 2_575
H35 H11 3.3155 no . 2_575
H35 H44A 3.1359 no . 2_575
H35 H44B 2.4192 no . 2_575
H35 H49A 3.0915 no . 2_675
H37 C15 2.9020 no . 2_675
H37 C16 3.3052 no . 2_675
H37 C29 3.4892 no . 2_665
H37 H15A 2.7317 no . 2_675
H37 H15B 2.4006 no . 2_675
H37 H16B 2.7447 no . 2_675
H37 H29 3.1924 no . 2_665
H37 H48B 3.1821 no . 2_675
H38 O3 2.9304 no . 2_665
H38 C9 3.2577 no . 2_675
H38 C28 3.3209 no . 2_665
H38 H9 2.4412 no . 2_675
H38 H15B 3.4579 no . 2_675
H38 H45B 3.5072 no . 2_675
H38 H46B 3.4046 no . 2_675
H38 H47A 3.5616 no . 2_675
H38 H52B 3.2179 no . 2_665
H39 Cl1 2.9146 no . 2_576
H39 C7 3.4230 no . 1_545
H39 C10 3.5184 no . 1_545
H39 C11 3.3233 no . 1_545
H39 C12 3.2681 no . 1_545
H39 H19B 3.0792 no . .
H40 Pt2 3.3210 no . 2_665
H40 Cl2 2.9621 no . 2_675
H40 N4 3.3860 no . 2_665
H40 H9 3.4967 no . 2_675
H40 H45B 3.2338 no . 2_675
H41A Cl1 3.4726 no . 2_576
H41A C11 3.1927 no . 1_545
H41A C50 3.2982 no . 1_455
H41A C51 3.3803 no . 1_455
H41A H11 3.0317 no . 1_545
H41A H49B 3.0341 no . 1_455
H41A H50A 2.7121 no . 1_455
H41A H51A 2.6696 no . 1_455
H41B Cl2 3.4526 no . 1_545
H41B Cl2 3.1583 no . 2_575
H41B H11 3.4228 no . 1_545
H41B H50A 3.1041 no . 1_455
H42A C49 3.2992 no . 1_455
H42A C50 3.3789 no . 1_455
H42A H42A 3.2975 no . 2_575
H42A H44B 2.8838 no . 2_575
H42A H45A 3.4056 no . 2_575
H42A H49A 2.9917 no . 1_455
H42A H49B 3.0263 no . 1_455
H42A H50A 2.6321 no . 1_455
H42B H44B 3.5270 no . 2_575
H42B H49A 3.4256 no . 2_675
H43A C19 3.1586 no . .
H43A H18B 3.3279 no . .
H43A H19A 2.8472 no . .
H43A H19B 2.6311 no . .
H43B Cl1 3.5228 no . 2_576
H43B Cl4 3.5608 no . 2_575
H43B C49 3.1917 no . 1_455
H43B H19A 3.3585 no . .
H43B H19B 3.2600 no . .
H43B H49A 3.1691 no . 1_455
H43B H49B 2.3785 no . 1_455
H44A Cl4 3.3991 no . 2_575
H44A C9 3.1402 no . .
H44A C10 3.4984 no . .
H44A H9 2.9595 no . .
H44A H16A 3.5097 no . .
H44A H19A 2.9029 no . .
H44A H35 3.1359 no . 2_575
H44B Cl2 3.5746 no . .
H44B C35 3.3407 no . 2_575
H44B H35 2.4192 no . 2_575
H44B H42A 2.8838 no . 2_575
H44B H42B 3.5270 no . 2_575
H45A C49 3.3638 no . 2_675
H45A C50 3.1786 no . 2_675
H45A H42A 3.4056 no . 2_575
H45A H49A 2.6726 no . 2_675
H45A H50A 2.8825 no . 2_675
H45A H50B 2.8564 no . 2_675
H45B Cl2 3.1204 no . .
H45B C50 3.1467 no . 2_675
H45B H9 3.0060 no . .
H45B H38 3.5072 no . 2_675
H45B H40 3.2338 no . 2_675
H45B H50A 2.6819 no . 2_675
H45B H50B 2.7108 no . 2_675
H46A C18 3.5806 no . .
H46A H16B 3.3300 no . .
H46A H18B 2.7549 no . .
H46A H19A 3.3683 no . .
H46B C16 3.0280 no . .
H46B C38 3.5110 no . 2_675
H46B H9 3.1335 no . .
H46B H16A 2.8891 no . .
H46B H16B 2.2979 no . .
H46B H18B 3.1203 no . .
H46B H19A 3.3508 no . .
H46B H38 3.4046 no . 2_675
H47A C33 3.0210 no . 2_675
H47A C34 3.3152 no . 2_675
H47A C37 3.5163 no . 2_675
H47A C38 3.1710 no . 2_675
H47A C40 3.4814 no . 2_675
H47A H38 3.5616 no . 2_675
H47A H47B 2.9801 no . 2_675
H47A H50B 2.9436 no . 2_675
H47B C47 3.4730 no . 2_675
H47B H47A 2.9801 no . 2_675
H47B H47B 3.0153 no . 2_675
H47B H50B 3.4909 no . 2_675
H48A H5 3.3279 no . 2_676
H48A H16B 3.4328 no . .
H48A H18B 3.1110 no . .
H48B Cl4 3.2109 no . 2_675
H48B C35 3.4160 no . 2_675
H48B C36 2.8483 no . 2_675
H48B C37 2.9710 no . 2_675
H48B C38 3.5691 no . 2_675
H48B H16B 2.9099 no . .
H48B H37 3.1821 no . 2_675
H49A C34 3.5950 no . 2_675
H49A C35 3.1400 no . 2_675
H49A C36 3.5295 no . 2_675
H49A C45 3.5661 no . 2_675
H49A H35 3.0915 no . 2_675
H49A H42A 2.9917 no . 1_655
H49A H42B 3.4256 no . 2_675
H49A H43B 3.1691 no . 1_655
H49A H45A 2.6726 no . 2_675
H49B Cl1 3.0925 no . 2_676
H49B C42 3.4270 no . 1_655
H49B C43 3.2293 no . 1_655
H49B H41A 3.0341 no . 1_655
H49B H42A 3.0263 no . 1_655
H49B H43B 2.3785 no . 1_655
H50A Cl2 3.3509 no . 2_675
H50A C41 3.1862 no . 1_655
H50A C42 3.3115 no . 1_655
H50A C45 3.2286 no . 2_675
H50A H41A 2.7121 no . 1_655
H50A H41B 3.1041 no . 1_655
H50A H42A 2.6321 no . 1_655
H50A H45A 2.8825 no . 2_675
H50A H45B 2.6819 no . 2_675
H50B C45 3.2239 no . 2_675
H50B C47 3.5865 no . 2_675
H50B H45A 2.8564 no . 2_675
H50B H45B 2.7108 no . 2_675
H50B H47A 2.9436 no . 2_675
H50B H47B 3.4909 no . 2_675
H51A Cl1 2.9787 no . 2_676
H51A C11 3.0396 no . 1_645
H51A C12 3.1106 no . 1_645
H51A H11 2.5244 no . 1_645
H51A H12 2.6495 no . 1_645
H51A H41A 2.6696 no . 1_655
H51B H12 3.5767 no . 1_645
H52A Cl2 3.0611 no . 2_675
H52A O4 3.4952 no . 2_665
H52A C11 3.2846 no . 1_645
H52A C33 3.5105 no . 2_665
H52A C34 3.3761 no . 2_665
H52A H11 2.3470 no . 1_645
H52B C11 3.3112 no . 1_645
H52B C12 3.5407 no . 1_645
H52B C33 2.8338 no . 2_665
H52B C34 3.1450 no . 2_665
H52B C35 3.5484 no . 2_665
H52B C37 3.3197 no . 2_665
H52B C38 2.8937 no . 2_665
H52B C40 3.4702 no . 2_665
H52B H11 2.5959 no . 1_645
H52B H12 3.0336 no . 1_645
H52B H38 3.2179 no . 2_665

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985139'
#######################################################################
#
#                 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_3c

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_moiety         'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_weight         670.55
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   18.4617(11)
_cell_length_b                   11.4626(6)
_cell_length_c                   12.2654(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 99.3833(10)
_cell_angle_gamma                90.0000
_cell_volume                     2560.9(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    42071
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.48
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.300
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320.00
_exptl_absorpt_coefficient_mu    5.691
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.007
_exptl_absorpt_correction_T_max  0.181

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            49653
_diffrn_reflns_av_R_equivalents  0.1368
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5843
_reflns_number_gt                5572
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0437
_refine_ls_wR_factor_ref         0.1168
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5843
_refine_ls_number_parameters     298
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0567P)²+5.4349P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.003
_refine_diff_density_max         6.120
_refine_diff_density_min         -2.930
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.244317(9) 1.078120(14) 0.494712(12) 0.01516(9) Uani 1.0 4 d . . .
Cl1 Cl 0.07824(7) 1.16284(12) -0.08031(9) 0.0297(3) Uani 1.0 4 d . . .
Cl2 Cl 0.40860(7) 1.12477(12) 1.07474(9) 0.0292(3) Uani 1.0 4 d . . .
O1 O 0.1481(3) 1.0693(3) 0.3952(4) 0.0232(9) Uani 1.0 4 d . . .
O2 O 0.3408(3) 1.0860(3) 0.5939(4) 0.0236(9) Uani 1.0 4 d . . .
N1 N 0.3001(3) 1.0971(4) 0.3682(4) 0.0165(8) Uani 1.0 4 d . . .
N2 N 0.1883(3) 1.0617(4) 0.6229(4) 0.0180(9) Uani 1.0 4 d . . .
C1 C 0.1915(3) 1.1199(4) 0.2261(4) 0.0190(9) Uani 1.0 4 d . . .
C2 C 0.1363(3) 1.0941(5) 0.2893(5) 0.0196(10) Uani 1.0 4 d . . .
C3 C 0.0625(4) 1.0921(5) 0.2345(5) 0.0271(12) Uani 1.0 4 d . . .
C4 C 0.0448(3) 1.1140(6) 0.1227(5) 0.0264(11) Uani 1.0 4 d . . .
C5 C 0.1003(3) 1.1389(4) 0.0624(4) 0.0229(10) Uani 1.0 4 d . . .
C6 C 0.1718(3) 1.1426(4) 0.1116(4) 0.0207(10) Uani 1.0 4 d . . .
C7 C 0.2950(3) 1.0928(4) 0.7661(4) 0.0185(10) Uani 1.0 4 d . . .
C8 C 0.3512(3) 1.0956(5) 0.7007(5) 0.0192(10) Uani 1.0 4 d . . .
C9 C 0.4249(3) 1.1067(6) 0.7552(5) 0.0257(11) Uani 1.0 4 d . . .
C10 C 0.4419(3) 1.1160(5) 0.8676(5) 0.0247(10) Uani 1.0 4 d . . .
C11 C 0.3856(3) 1.1151(5) 0.9311(4) 0.0211(10) Uani 1.0 4 d . . .
C12 C 0.3142(3) 1.1041(5) 0.8835(4) 0.0210(10) Uani 1.0 4 d . . .
C13 C 0.2690(3) 1.1170(4) 0.2678(4) 0.0195(9) Uani 1.0 4 d . . .
C14 C 0.2189(3) 1.0745(4) 0.7245(5) 0.0196(11) Uani 1.0 4 d . . .
C15 C 0.3813(3) 1.0854(4) 0.3859(5) 0.0208(11) Uani 1.0 4 d . . .
C16 C 0.4039(3) 0.9595(5) 0.4068(4) 0.0215(10) Uani 1.0 4 d . . .
C17 C 0.3767(3) 0.8771(4) 0.3107(4) 0.0238(10) Uani 1.0 4 d . . .
C18 C 0.3956(3) 0.7488(5) 0.3373(5) 0.0333(12) Uani 1.0 4 d . . .
C19 C 0.3651(3) 0.7024(5) 0.4384(5) 0.0341(13) Uani 1.0 4 d . . .
C20 C 0.2815(3) 0.7030(5) 0.4243(5) 0.0314(12) Uani 1.0 4 d . . .
C21 C 0.2514(3) 0.6783(6) 0.5301(5) 0.0339(12) Uani 1.0 4 d . . .
C22 C 0.1682(4) 0.6665(5) 0.5103(5) 0.0335(12) Uani 1.0 4 d . . .
C23 C 0.1331(4) 0.6898(5) 0.6136(5) 0.0365(14) Uani 1.0 4 d . . .
C24 C 0.1388(3) 0.8165(5) 0.6516(4) 0.0289(11) Uani 1.0 4 d . . .
C25 C 0.0996(3) 0.9029(5) 0.5682(5) 0.0261(11) Uani 1.0 4 d . . .
C26 C 0.1101(3) 1.0305(5) 0.6032(4) 0.0227(10) Uani 1.0 4 d . . .
H3 H 0.0244 1.0752 0.2756 0.0325 Uiso 1.0 4 calc R . .
H4 H -0.0049 1.1121 0.0873 0.0317 Uiso 1.0 4 calc R . .
H6 H 0.2088 1.1607 0.0688 0.0249 Uiso 1.0 4 calc R . .
H9 H 0.4634 1.1077 0.7124 0.0308 Uiso 1.0 4 calc R . .
H10 H 0.4917 1.1229 0.9022 0.0296 Uiso 1.0 4 calc R . .
H12 H 0.2768 1.1039 0.9283 0.0252 Uiso 1.0 4 calc R . .
H13 H 0.3009 1.1312 0.2157 0.0234 Uiso 1.0 4 calc R . .
H14 H 0.1871 1.0715 0.7780 0.0235 Uiso 1.0 4 calc R . .
H15A H 0.4029 1.1336 0.4500 0.0249 Uiso 1.0 4 calc R . .
H15B H 0.4003 1.1144 0.3200 0.0249 Uiso 1.0 4 calc R . .
H16A H 0.3849 0.9318 0.4732 0.0258 Uiso 1.0 4 calc R . .
H16B H 0.4582 0.9555 0.4230 0.0258 Uiso 1.0 4 calc R . .
H17A H 0.3988 0.9007 0.2458 0.0286 Uiso 1.0 4 calc R . .
H17B H 0.3228 0.8849 0.2908 0.0286 Uiso 1.0 4 calc R . .
H18A H 0.4497 0.7398 0.3507 0.0400 Uiso 1.0 4 calc R . .
H18B H 0.3759 0.7006 0.2722 0.0400 Uiso 1.0 4 calc R . .
H19A H 0.3827 0.6216 0.4536 0.0409 Uiso 1.0 4 calc R . .
H19B H 0.3849 0.7506 0.5035 0.0409 Uiso 1.0 4 calc R . .
H20A H 0.2634 0.7802 0.3955 0.0376 Uiso 1.0 4 calc R . .
H20B H 0.2621 0.6437 0.3685 0.0376 Uiso 1.0 4 calc R . .
H21A H 0.2658 0.7425 0.5833 0.0407 Uiso 1.0 4 calc R . .
H21B H 0.2735 0.6053 0.5636 0.0407 Uiso 1.0 4 calc R . .
H22A H 0.1551 0.5866 0.4834 0.0403 Uiso 1.0 4 calc R . .
H22B H 0.1473 0.7218 0.4515 0.0403 Uiso 1.0 4 calc R . .
H23A H 0.0806 0.6676 0.5976 0.0438 Uiso 1.0 4 calc R . .
H23B H 0.1572 0.6396 0.6745 0.0438 Uiso 1.0 4 calc R . .
H24A H 0.1182 0.8232 0.7210 0.0346 Uiso 1.0 4 calc R . .
H24B H 0.1914 0.8382 0.6685 0.0346 Uiso 1.0 4 calc R . .
H25A H 0.0465 0.8849 0.5555 0.0313 Uiso 1.0 4 calc R . .
H25B H 0.1177 0.8922 0.4971 0.0313 Uiso 1.0 4 calc R . .
H26A H 0.0835 1.0812 0.5447 0.0272 Uiso 1.0 4 calc R . .
H26B H 0.0892 1.0435 0.6716 0.0272 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 O1 1.987(4) yes . .
Pt1 O2 1.989(4) yes . .
Pt1 N1 2.010(5) yes . .
Pt1 N2 2.027(5) yes . .
Cl1 C5 1.752(5) yes . .
Cl2 C11 1.748(5) yes . .
O1 C2 1.312(7) yes . .
O2 C8 1.296(7) yes . .
N1 C13 1.291(6) yes . .
N1 C15 1.485(7) yes . .
N2 C14 1.290(7) yes . .
N2 C26 1.468(7) yes . .
C1 C2 1.410(8) yes . .
C1 C6 1.416(7) yes . .
C1 C13 1.439(7) yes . .
C2 C3 1.417(8) yes . .
C3 C4 1.380(8) yes . .
C4 C5 1.386(8) yes . .
C5 C6 1.361(7) yes . .
C7 C8 1.412(8) yes . .
C7 C12 1.431(7) yes . .
C7 C14 1.430(8) yes . .
C8 C9 1.419(8) yes . .
C9 C10 1.367(8) yes . .
C10 C11 1.397(8) yes . .
C11 C12 1.358(7) yes . .
C15 C16 1.513(7) yes . .
C16 C17 1.530(7) yes . .
C17 C18 1.534(7) yes . .
C18 C19 1.538(9) yes . .
C19 C20 1.524(8) yes . .
C20 C21 1.520(9) yes . .
C21 C22 1.521(8) yes . .
C22 C23 1.538(9) yes . .
C23 C24 1.523(8) yes . .
C24 C25 1.520(7) yes . .
C25 C26 1.527(8) yes . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C6 H6 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15A 0.990 no . .
C15 H15B 0.990 no . .
C16 H16A 0.990 no . .
C16 H16B 0.990 no . .
C17 H17A 0.990 no . .
C17 H17B 0.990 no . .
C18 H18A 0.990 no . .
C18 H18B 0.990 no . .
C19 H19A 0.990 no . .
C19 H19B 0.990 no . .
C20 H20A 0.990 no . .
C20 H20B 0.990 no . .
C21 H21A 0.990 no . .
C21 H21B 0.990 no . .
C22 H22A 0.990 no . .
C22 H22B 0.990 no . .
C23 H23A 0.990 no . .
C23 H23B 0.990 no . .
C24 H24A 0.990 no . .
C24 H24B 0.990 no . .
C25 H25A 0.990 no . .
C25 H25B 0.990 no . .
C26 H26A 0.990 no . .
C26 H26B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Pt1 O2 179.63(15) yes . . .
O1 Pt1 N1 92.89(18) yes . . .
O1 Pt1 N2 87.33(18) yes . . .
O2 Pt1 N1 86.96(17) yes . . .
O2 Pt1 N2 92.83(17) yes . . .
N1 Pt1 N2 179.11(16) yes . . .
Pt1 O1 C2 125.8(4) yes . . .
Pt1 O2 C8 126.3(4) yes . . .
Pt1 N1 C13 123.5(4) yes . . .
Pt1 N1 C15 120.6(3) yes . . .
C13 N1 C15 115.9(5) yes . . .
Pt1 N2 C14 122.6(4) yes . . .
Pt1 N2 C26 120.5(3) yes . . .
C14 N2 C26 116.8(5) yes . . .
C2 C1 C6 119.5(5) yes . . .
C2 C1 C13 124.5(5) yes . . .
C6 C1 C13 115.9(5) yes . . .
O1 C2 C1 124.8(5) yes . . .
O1 C2 C3 117.3(6) yes . . .
C1 C2 C3 117.9(5) yes . . .
C2 C3 C4 121.5(6) yes . . .
C3 C4 C5 119.5(5) yes . . .
Cl1 C5 C4 119.6(4) yes . . .
Cl1 C5 C6 119.2(5) yes . . .
C4 C5 C6 121.2(5) yes . . .
C1 C6 C5 120.5(5) yes . . .
C8 C7 C12 119.1(5) yes . . .
C8 C7 C14 124.8(5) yes . . .
C12 C7 C14 116.1(5) yes . . .
O2 C8 C7 124.7(5) yes . . .
O2 C8 C9 117.2(5) yes . . .
C7 C8 C9 118.1(5) yes . . .
C8 C9 C10 121.8(6) yes . . .
C9 C10 C11 119.4(5) yes . . .
Cl2 C11 C10 118.8(4) yes . . .
Cl2 C11 C12 119.9(4) yes . . .
C10 C11 C12 121.3(5) yes . . .
C7 C12 C11 120.3(5) yes . . .
N1 C13 C1 127.2(5) yes . . .
N2 C14 C7 127.8(6) yes . . .
N1 C15 C16 110.8(4) yes . . .
C15 C16 C17 114.3(4) yes . . .
C16 C17 C18 113.2(4) yes . . .
C17 C18 C19 113.7(5) yes . . .
C18 C19 C20 113.8(5) yes . . .
C19 C20 C21 114.0(5) yes . . .
C20 C21 C22 112.4(5) yes . . .
C21 C22 C23 113.8(5) yes . . .
C22 C23 C24 113.6(5) yes . . .
C23 C24 C25 114.4(4) yes . . .
C24 C25 C26 114.2(4) yes . . .
N2 C26 C25 110.8(4) yes . . .
C2 C3 H3 119.273 no . . .
C4 C3 H3 119.271 no . . .
C3 C4 H4 120.262 no . . .
C5 C4 H4 120.252 no . . .
C1 C6 H6 119.738 no . . .
C5 C6 H6 119.718 no . . .
C8 C9 H9 119.087 no . . .
C10 C9 H9 119.079 no . . .
C9 C10 H10 120.279 no . . .
C11 C10 H10 120.287 no . . .
C7 C12 H12 119.859 no . . .
C11 C12 H12 119.885 no . . .
N1 C13 H13 116.395 no . . .
C1 C13 H13 116.392 no . . .
N2 C14 H14 116.120 no . . .
C7 C14 H14 116.130 no . . .
N1 C15 H15A 109.482 no . . .
N1 C15 H15B 109.481 no . . .
C16 C15 H15A 109.484 no . . .
C16 C15 H15B 109.488 no . . .
H15A C15 H15B 108.072 no . . .
C15 C16 H16A 108.684 no . . .
C15 C16 H16B 108.675 no . . .
C17 C16 H16A 108.683 no . . .
C17 C16 H16B 108.677 no . . .
H16A C16 H16B 107.598 no . . .
C16 C17 H17A 108.946 no . . .
C16 C17 H17B 108.936 no . . .
C18 C17 H17A 108.949 no . . .
C18 C17 H17B 108.942 no . . .
H17A C17 H17B 107.743 no . . .
C17 C18 H18A 108.826 no . . .
C17 C18 H18B 108.831 no . . .
C19 C18 H18A 108.826 no . . .
C19 C18 H18B 108.821 no . . .
H18A C18 H18B 107.690 no . . .
C18 C19 H19A 108.785 no . . .
C18 C19 H19B 108.785 no . . .
C20 C19 H19A 108.785 no . . .
C20 C19 H19B 108.794 no . . .
H19A C19 H19B 107.667 no . . .
C19 C20 H20A 108.742 no . . .
C19 C20 H20B 108.745 no . . .
C21 C20 H20A 108.752 no . . .
C21 C20 H20B 108.753 no . . .
H20A C20 H20B 107.649 no . . .
C20 C21 H21A 109.125 no . . .
C20 C21 H21B 109.126 no . . .
C22 C21 H21A 109.134 no . . .
C22 C21 H21B 109.132 no . . .
H21A C21 H21B 107.856 no . . .
C21 C22 H22A 108.808 no . . .
C21 C22 H22B 108.811 no . . .
C23 C22 H22A 108.801 no . . .
C23 C22 H22B 108.805 no . . .
H22A C22 H22B 107.677 no . . .
C22 C23 H23A 108.846 no . . .
C22 C23 H23B 108.833 no . . .
C24 C23 H23A 108.834 no . . .
C24 C23 H23B 108.837 no . . .
H23A C23 H23B 107.702 no . . .
C23 C24 H24A 108.668 no . . .
C23 C24 H24B 108.661 no . . .
C25 C24 H24A 108.668 no . . .
C25 C24 H24B 108.663 no . . .
H24A C24 H24B 107.597 no . . .
C24 C25 H25A 108.708 no . . .
C24 C25 H25B 108.704 no . . .
C26 C25 H25A 108.715 no . . .
C26 C25 H25B 108.713 no . . .
H25A C25 H25B 107.624 no . . .
N2 C26 H26A 109.477 no . . .
N2 C26 H26B 109.479 no . . .
C25 C26 H26A 109.480 no . . .
C25 C26 H26B 109.480 no . . .
H26A C26 H26B 108.064 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Pt1 N1 C13 10.7(3) no . . . .
O1 Pt1 N1 C15 -167.6(3) no . . . .
N1 Pt1 O1 C2 -11.6(3) no . . . .
O1 Pt1 N2 C14 -171.4(3) no . . . .
O1 Pt1 N2 C26 10.6(3) no . . . .
N2 Pt1 O1 C2 167.5(3) no . . . .
O2 Pt1 N1 C13 -169.6(3) no . . . .
O2 Pt1 N1 C15 12.0(3) no . . . .
N1 Pt1 O2 C8 169.8(3) no . . . .
O2 Pt1 N2 C14 9.0(3) no . . . .
O2 Pt1 N2 C26 -169.1(3) no . . . .
N2 Pt1 O2 C8 -9.4(3) no . . . .
Pt1 O1 C2 C1 6.8(7) no . . . .
Pt1 O1 C2 C3 -174.7(3) no . . . .
Pt1 O2 C8 C7 5.3(7) no . . . .
Pt1 O2 C8 C9 -176.3(3) no . . . .
Pt1 N1 C13 C1 -5.3(7) no . . . .
Pt1 N1 C15 C16 71.7(4) no . . . .
C13 N1 C15 C16 -106.8(5) no . . . .
C15 N1 C13 C1 173.1(4) no . . . .
Pt1 N2 C14 C7 -5.1(6) no . . . .
Pt1 N2 C26 C25 71.7(4) no . . . .
C14 N2 C26 C25 -106.5(5) no . . . .
C26 N2 C14 C7 173.1(4) no . . . .
C2 C1 C6 C5 -0.5(7) no . . . .
C6 C1 C2 O1 178.5(4) no . . . .
C6 C1 C2 C3 0.0(7) no . . . .
C2 C1 C13 N1 -3.9(8) no . . . .
C13 C1 C2 O1 3.2(8) no . . . .
C13 C1 C2 C3 -175.3(4) no . . . .
C6 C1 C13 N1 -179.4(4) no . . . .
C13 C1 C6 C5 175.2(4) no . . . .
O1 C2 C3 C4 -178.3(5) no . . . .
C1 C2 C3 C4 0.3(8) no . . . .
C2 C3 C4 C5 -0.1(9) no . . . .
C3 C4 C5 Cl1 178.3(5) no . . . .
C3 C4 C5 C6 -0.3(8) no . . . .
Cl1 C5 C6 C1 -178.0(3) no . . . .
C4 C5 C6 C1 0.7(7) no . . . .
C8 C7 C12 C11 -1.3(7) no . . . .
C12 C7 C8 O2 179.8(4) no . . . .
C12 C7 C8 C9 1.5(7) no . . . .
C8 C7 C14 N2 -2.5(8) no . . . .
C14 C7 C8 O2 2.5(8) no . . . .
C14 C7 C8 C9 -175.8(4) no . . . .
C12 C7 C14 N2 -179.9(4) no . . . .
C14 C7 C12 C11 176.3(4) no . . . .
O2 C8 C9 C10 -179.2(5) no . . . .
C7 C8 C9 C10 -0.8(8) no . . . .
C8 C9 C10 C11 -0.3(9) no . . . .
C9 C10 C11 Cl2 179.0(5) no . . . .
C9 C10 C11 C12 0.6(8) no . . . .
Cl2 C11 C12 C7 -178.2(3) no . . . .
C10 C11 C12 C7 0.2(8) no . . . .
N1 C15 C16 C17 62.0(6) no . . . .
C15 C16 C17 C18 -175.8(4) no . . . .
C16 C17 C18 C19 57.8(6) no . . . .
C17 C18 C19 C20 62.9(6) no . . . .
C18 C19 C20 C21 -169.6(4) no . . . .
C19 C20 C21 C22 -173.7(4) no . . . .
C20 C21 C22 C23 -157.2(4) no . . . .
C21 C22 C23 C24 68.0(6) no . . . .
C22 C23 C24 C25 62.3(6) no . . . .
C23 C24 C25 C26 -175.9(5) no . . . .
C24 C25 C26 N2 58.6(6) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 C1 3.315(5) no . .
Pt1 C7 3.312(5) no . .
Pt1 C16 3.568(5) no . .
Pt1 C25 3.573(6) no . .
O1 C13 2.977(7) no . .
O1 C25 3.092(7) no . .
O1 C26 2.790(7) no . .
O2 C10 3.581(7) no . .
O2 C14 2.970(8) no . .
O2 C15 2.773(7) no . .
O2 C16 3.098(7) no . .
N1 C2 3.022(7) no . .
N1 C17 3.030(7) no . .
N2 C8 3.030(7) no . .
N2 C24 2.993(7) no . .
C1 C4 2.798(7) no . .
C2 C5 2.802(7) no . .
C3 C6 2.770(9) no . .
C7 C10 2.806(8) no . .
C8 C11 2.802(7) no . .
C9 C12 2.775(8) no . .
C13 C16 3.314(7) no . .
C13 C17 3.384(7) no . .
C14 C24 3.362(7) no . .
C14 C25 3.319(7) no . .
C16 C19 3.072(8) no . .
C17 C20 3.132(8) no . .
C21 C24 3.171(9) no . .
C22 C25 3.122(8) no . .
Cl1 O1 3.363(4) no . 4_574
Cl1 C2 3.467(6) no . 4_574
Cl1 C3 3.595(6) no . 4_574
Cl2 O2 3.565(4) no . 4_575
O1 Cl1 3.363(4) no . 4_575
O2 Cl2 3.565(4) no . 4_574
N1 C12 3.438(7) no . 4_574
N2 C6 3.404(6) no . 4_575
C1 C14 3.539(7) no . 4_574
C2 Cl1 3.467(6) no . 4_575
C3 Cl1 3.595(6) no . 4_575
C6 N2 3.404(6) no . 4_574
C6 C14 3.576(6) no . 4_574
C7 C13 3.362(7) no . 4_575
C11 C15 3.477(7) no . 4_575
C12 N1 3.438(7) no . 4_575
C12 C13 3.542(7) no . 4_575
C13 C7 3.362(7) no . 4_574
C13 C12 3.542(7) no . 4_574
C14 C1 3.539(7) no . 4_575
C14 C6 3.576(6) no . 4_575
C15 C11 3.477(7) no . 4_574
Pt1 H15A 3.1315 no . .
Pt1 H16A 3.1379 no . .
Pt1 H25B 3.1669 no . .
Pt1 H26A 3.1278 no . .
Cl1 H4 2.8195 no . .
Cl1 H6 2.7785 no . .
Cl2 H10 2.8090 no . .
Cl2 H12 2.7899 no . .
O1 H3 2.5065 no . .
O1 H25B 2.4955 no . .
O1 H26A 2.3488 no . .
O2 H9 2.4939 no . .
O2 H15A 2.3225 no . .
O2 H16A 2.5246 no . .
O2 H16B 3.5790 no . .
N1 H16A 2.6544 no . .
N1 H16B 3.3107 no . .
N1 H17A 3.3954 no . .
N1 H17B 2.6684 no . .
N2 H24A 3.3315 no . .
N2 H24B 2.6210 no . .
N2 H25A 3.3066 no . .
N2 H25B 2.6818 no . .
C1 H3 3.2810 no . .
C2 H4 3.2969 no . .
C2 H6 3.2980 no . .
C2 H13 3.3356 no . .
C2 H25B 3.5004 no . .
C2 H26A 3.4314 no . .
C4 H6 3.2468 no . .
C5 H3 3.2449 no . .
C6 H4 3.2464 no . .
C6 H13 2.5162 no . .
C7 H9 3.2850 no . .
C7 H24B 3.5868 no . .
C8 H10 3.2922 no . .
C8 H12 3.3083 no . .
C8 H14 3.3306 no . .
C8 H15A 3.3934 no . .
C8 H16A 3.5015 no . .
C10 H12 3.2578 no . .
C11 H9 3.2433 no . .
C12 H10 3.2546 no . .
C12 H14 2.5151 no . .
C13 H6 2.5613 no . .
C13 H15A 3.0559 no . .
C13 H15B 2.4030 no . .
C13 H17A 3.4875 no . .
C13 H17B 2.8368 no . .
C14 H12 2.5754 no . .
C14 H24A 3.4251 no . .
C14 H24B 2.8206 no . .
C14 H26A 3.0524 no . .
C14 H26B 2.4036 no . .
C15 H13 2.4142 no . .
C15 H17A 2.7790 no . .
C15 H17B 2.7201 no . .
C16 H13 3.3966 no . .
C16 H18A 2.7779 no . .
C16 H18B 3.3944 no . .
C16 H19B 2.7202 no . .
C16 H20A 3.2944 no . .
C17 H13 3.3581 no . .
C17 H15A 3.3958 no . .
C17 H15B 2.7544 no . .
C17 H19A 3.4053 no . .
C17 H19B 2.7566 no . .
C17 H20A 2.7205 no . .
C17 H20B 3.5527 no . .
C18 H16A 2.7068 no . .
C18 H16B 2.7673 no . .
C18 H20A 2.6770 no . .
C18 H20B 2.8250 no . .
C19 H16A 2.6791 no . .
C19 H16B 3.3928 no . .
C19 H17A 3.4084 no . .
C19 H17B 2.7936 no . .
C19 H21A 2.7908 no . .
C19 H21B 2.7018 no . .
C20 H16A 3.2414 no . .
C20 H17B 2.8315 no . .
C20 H18A 3.3980 no . .
C20 H18B 2.7531 no . .
C20 H22A 2.8822 no . .
C20 H22B 2.5619 no . .
C21 H19A 2.8156 no . .
C21 H19B 2.6692 no . .
C21 H23A 3.3902 no . .
C21 H23B 2.7138 no . .
C21 H24B 2.8421 no . .
C21 H25B 3.4562 no . .
C22 H20A 2.7521 no . .
C22 H20B 2.6609 no . .
C22 H24A 3.3965 no . .
C22 H24B 2.7478 no . .
C22 H25A 3.4688 no . .
C22 H25B 2.7467 no . .
C23 H21A 2.6084 no . .
C23 H21B 2.9244 no . .
C23 H25A 2.7731 no . .
C23 H25B 2.7148 no . .
C24 H14 3.3598 no . .
C24 H21A 2.7495 no . .
C24 H22A 3.3904 no . .
C24 H22B 2.7124 no . .
C24 H26A 3.3962 no . .
C24 H26B 2.7823 no . .
C25 H14 3.4071 no . .
C25 H21A 3.5559 no . .
C25 H22B 2.7473 no . .
C25 H23A 2.7512 no . .
C25 H23B 3.3895 no . .
C26 H14 2.4172 no . .
C26 H24A 2.7714 no . .
C26 H24B 2.7128 no . .
H3 H4 2.3235 no . .
H3 H26A 3.3039 no . .
H6 H13 2.2910 no . .
H9 H10 2.3080 no . .
H9 H15A 3.2435 no . .
H12 H14 2.2978 no . .
H13 H15A 3.1692 no . .
H13 H15B 2.0679 no . .
H13 H17A 3.1885 no . .
H13 H17B 2.9768 no . .
H14 H24A 3.1491 no . .
H14 H24B 2.9995 no . .
H14 H26A 3.1738 no . .
H14 H26B 2.0751 no . .
H15A H16A 2.3616 no . .
H15A H16B 2.3300 no . .
H15B H16A 2.8582 no . .
H15B H16B 2.3700 no . .
H15B H17A 2.6113 no . .
H15B H17B 2.9876 no . .
H16A H17A 2.8651 no . .
H16A H17B 2.4032 no . .
H16A H18A 3.0192 no . .
H16A H19A 3.5638 no . .
H16A H19B 2.1100 no . .
H16A H20A 2.8747 no . .
H16A H21A 3.5120 no . .
H16B H17A 2.3550 no . .
H16B H17B 2.8652 no . .
H16B H18A 2.6225 no . .
H16B H19B 2.9597 no . .
H17A H18A 2.3554 no . .
H17A H18B 2.3648 no . .
H17B H18A 2.8694 no . .
H17B H18B 2.3565 no . .
H17B H19B 3.0849 no . .
H17B H20A 2.1802 no . .
H17B H20B 3.1867 no . .
H18A H19A 2.3381 no . .
H18A H19B 2.3859 no . .
H18A H20A 3.5999 no . .
H18B H19A 2.3863 no . .
H18B H19B 2.8725 no . .
H18B H20A 2.9087 no . .
H18B H20B 2.6541 no . .
H19A H20A 2.8556 no . .
H19A H20B 2.3149 no . .
H19A H21A 3.1988 no . .
H19A H21B 2.6096 no . .
H19B H20A 2.4343 no . .
H19B H20B 2.8558 no . .
H19B H21A 2.5489 no . .
H19B H21B 2.8346 no . .
H20A H21A 2.3363 no . .
H20A H21B 2.8588 no . .
H20A H22A 3.2843 no . .
H20A H22B 2.4475 no . .
H20A H25B 3.3965 no . .
H20B H21A 2.8585 no . .
H20B H21B 2.4084 no . .
H20B H22A 2.6883 no . .
H20B H22B 2.6511 no . .
H21A H22A 2.8388 no . .
H21A H22B 2.5104 no . .
H21A H23A 3.5575 no . .
H21A H23B 2.7201 no . .
H21A H24A 3.5548 no . .
H21A H24B 2.1568 no . .
H21A H25B 3.2561 no . .
H21B H22A 2.2568 no . .
H21B H22B 2.8376 no . .
H21B H23B 2.7515 no . .
H21B H24B 3.4224 no . .
H22A H23A 2.3116 no . .
H22A H23B 2.4160 no . .
H22A H25B 3.5800 no . .
H22B H23A 2.4158 no . .
H22B H23B 2.8710 no . .
H22B H24B 2.9701 no . .
H22B H25A 3.0603 no . .
H22B H25B 2.1288 no . .
H23A H24A 2.3684 no . .
H23A H24B 2.8601 no . .
H23A H25A 2.5999 no . .
H23A H25B 2.9818 no . .
H23B H24A 2.3252 no . .
H23B H24B 2.3666 no . .
H24A H25A 2.3443 no . .
H24A H25B 2.8558 no . .
H24A H26B 2.6308 no . .
H24B H25A 2.8558 no . .
H24B H25B 2.3921 no . .
H24B H26B 3.0204 no . .
H25A H26A 2.3621 no . .
H25A H26B 2.3637 no . .
H25B H26A 2.3559 no . .
H25B H26B 2.8684 no . .
Pt1 H6 3.2266 no . 4_575
Cl1 H3 3.5431 no . 4_574
Cl1 H4 3.4250 no . 3_575
Cl1 H14 3.0490 no . 1_554
Cl1 H22A 3.2306 no . 4_564
Cl1 H23A 2.9060 no . 2_555
Cl1 H25A 3.4787 no . 2_555
Cl1 H26A 3.3042 no . 4_574
Cl1 H26B 3.3724 no . 1_554
Cl2 H9 3.5662 no . 4_575
Cl2 H10 3.3709 no . 3_677
Cl2 H13 2.8413 no . 1_556
Cl2 H15A 3.1575 no . 4_575
Cl2 H15B 3.0389 no . 1_556
Cl2 H17A 3.3394 no . 1_556
Cl2 H18A 2.9394 no . 2_656
Cl2 H19A 3.1902 no . 4_565
N1 H12 3.5466 no . 4_574
N2 H6 3.2854 no . 4_575
C1 H14 3.5976 no . 4_574
C1 H23B 3.0854 no . 4_564
C2 H23B 3.0799 no . 4_564
C3 H23A 3.4606 no . 4_564
C3 H23B 3.3264 no . 4_564
C3 H25A 3.5277 no . 3_576
C3 H26B 3.5543 no . 3_576
C4 H23A 3.3165 no . 2_555
C4 H23A 3.3192 no . 4_564
C4 H23B 3.5669 no . 4_564
C5 H22A 2.9937 no . 4_564
C5 H23A 3.5654 no . 4_564
C5 H23B 3.5652 no . 4_564
C5 H26A 3.2272 no . 4_574
C6 H12 3.2289 no . 1_554
C6 H21B 3.5088 no . 4_564
C6 H22A 3.0524 no . 4_564
C6 H23B 3.3470 no . 4_564
C6 H26A 3.5932 no . 4_574
C7 H13 3.2286 no . 4_575
C7 H19A 3.5686 no . 4_565
C7 H20B 3.0894 no . 4_565
C8 H13 3.2806 no . 4_575
C8 H18B 3.5170 no . 4_565
C9 H15B 3.3433 no . 4_575
C9 H16B 3.3890 no . 3_676
C9 H17A 3.2592 no . 3_676
C9 H18A 3.3355 no . 3_676
C10 H15A 3.1648 no . 4_575
C10 H15B 3.2156 no . 4_575
C10 H17A 3.4571 no . 3_676
C10 H19A 3.1773 no . 4_565
C11 H15A 2.9035 no . 4_575
C11 H15B 3.4160 no . 4_575
C11 H19A 2.7276 no . 4_565
C12 H6 3.2878 no . 1_556
C12 H15A 3.4573 no . 4_575
C12 H19A 2.9460 no . 4_565
C12 H20B 2.9951 no . 4_565
C12 H21B 3.4273 no . 4_565
C13 H21B 3.5836 no . 4_564
C14 H6 3.5743 no . 4_575
C14 H20B 3.0910 no . 4_565
C15 H16B 3.4976 no . 3_676
C16 H9 3.1467 no . 3_676
C16 H16B 3.1714 no . 3_676
C17 H9 3.0164 no . 3_676
C17 H21A 3.4626 no . 4_564
C17 H21B 3.3136 no . 4_564
C18 H9 3.2205 no . 3_676
C19 H10 3.1563 no . 2_646
C20 H12 3.5201 no . 4_564
C20 H24A 3.5990 no . 4_564
C20 H24B 3.3370 no . 4_564
C21 H12 3.5270 no . 4_564
C21 H17A 3.5876 no . 4_565
C21 H17B 3.3331 no . 4_565
C22 H4 3.1201 no . 2_545
C22 H24A 3.5201 no . 4_564
C23 H4 3.2498 no . 2_545
C24 H3 3.5063 no . 3_576
C24 H20B 3.2381 no . 4_565
C25 H3 3.2260 no . 3_576
C25 H26A 3.4433 no . 3_576
C26 H3 3.3233 no . 3_576
C26 H25A 3.3545 no . 3_576
H3 Cl1 3.5431 no . 4_575
H3 C24 3.5063 no . 3_576
H3 C25 3.2260 no . 3_576
H3 C26 3.3233 no . 3_576
H3 H24A 2.8848 no . 3_576
H3 H25A 2.6641 no . 3_576
H3 H26B 2.6661 no . 3_576
H4 Cl1 3.4250 no . 3_575
H4 C22 3.1201 no . 2_555
H4 C23 3.2498 no . 2_555
H4 H4 3.3678 no . 3_575
H4 H22A 2.7815 no . 2_555
H4 H22B 2.8835 no . 2_555
H4 H23A 2.5430 no . 2_555
H4 H23A 3.5666 no . 4_564
H4 H24A 3.4728 no . 3_576
H6 Pt1 3.2266 no . 4_574
H6 N2 3.2854 no . 4_574
H6 C12 3.2878 no . 1_554
H6 C14 3.5743 no . 4_574
H6 H12 2.3814 no . 1_554
H6 H21B 3.2794 no . 4_564
H6 H22A 3.1276 no . 4_564
H9 Cl2 3.5662 no . 4_574
H9 C16 3.1467 no . 3_676
H9 C17 3.0164 no . 3_676
H9 C18 3.2205 no . 3_676
H9 H16B 2.4828 no . 3_676
H9 H17A 2.5152 no . 3_676
H9 H18A 2.5756 no . 3_676
H10 Cl2 3.3709 no . 3_677
H10 C19 3.1563 no . 2_656
H10 H15A 3.3354 no . 4_575
H10 H15B 3.5177 no . 4_575
H10 H17A 2.9419 no . 3_676
H10 H18A 3.3296 no . 2_656
H10 H19A 2.6774 no . 2_656
H10 H19A 3.5649 no . 4_565
H10 H19B 2.7958 no . 2_656
H12 N1 3.5466 no . 4_575
H12 C6 3.2289 no . 1_556
H12 C20 3.5201 no . 4_565
H12 C21 3.5270 no . 4_565
H12 H6 2.3814 no . 1_556
H12 H13 3.4946 no . 1_556
H12 H19A 3.2262 no . 4_565
H12 H20B 2.9336 no . 4_565
H12 H21B 2.9230 no . 4_565
H12 H22A 3.2817 no . 4_565
H13 Cl2 2.8413 no . 1_554
H13 C7 3.2286 no . 4_574
H13 C8 3.2806 no . 4_574
H13 H12 3.4946 no . 1_554
H13 H21B 3.2836 no . 4_564
H14 Cl1 3.0490 no . 1_556
H14 C1 3.5976 no . 4_575
H14 H20B 2.9550 no . 4_565
H14 H22A 3.2349 no . 4_565
H15A Cl2 3.1575 no . 4_574
H15A C10 3.1648 no . 4_574
H15A C11 2.9035 no . 4_574
H15A C12 3.4573 no . 4_574
H15A H10 3.3354 no . 4_574
H15A H16B 2.9570 no . 3_676
H15B Cl2 3.0389 no . 1_554
H15B C9 3.3433 no . 4_574
H15B C10 3.2156 no . 4_574
H15B C11 3.4160 no . 4_574
H15B H10 3.5177 no . 4_574
H16A H16B 3.2369 no . 3_676
H16B C9 3.3890 no . 3_676
H16B C15 3.4976 no . 3_676
H16B C16 3.1714 no . 3_676
H16B H9 2.4828 no . 3_676
H16B H15A 2.9570 no . 3_676
H16B H16A 3.2369 no . 3_676
H16B H16B 2.4583 no . 3_676
H17A Cl2 3.3394 no . 1_554
H17A C9 3.2592 no . 3_676
H17A C10 3.4571 no . 3_676
H17A C21 3.5876 no . 4_564
H17A H9 2.5152 no . 3_676
H17A H10 2.9419 no . 3_676
H17A H19A 3.5565 no . 4_564
H17A H19B 3.4138 no . 4_564
H17A H21A 3.3309 no . 4_564
H17A H21B 2.9431 no . 4_564
H17B C21 3.3331 no . 4_564
H17B H21A 2.9737 no . 4_564
H17B H21B 2.7894 no . 4_564
H17B H23B 3.1688 no . 4_564
H18A Cl2 2.9394 no . 2_646
H18A C9 3.3355 no . 3_676
H18A H9 2.5756 no . 3_676
H18A H10 3.3296 no . 2_646
H18B C8 3.5170 no . 4_564
H18B H19B 3.3735 no . 4_564
H18B H21A 2.8968 no . 4_564
H18B H24B 3.4656 no . 4_564
H19A Cl2 3.1902 no . 4_564
H19A C7 3.5686 no . 4_564
H19A C10 3.1773 no . 4_564
H19A C11 2.7276 no . 4_564
H19A C12 2.9460 no . 4_564
H19A H10 2.6774 no . 2_646
H19A H10 3.5649 no . 4_564
H19A H12 3.2262 no . 4_564
H19A H17A 3.5565 no . 4_565
H19B H10 2.7958 no . 2_646
H19B H17A 3.4138 no . 4_565
H19B H18B 3.3735 no . 4_565
H20A H23B 3.2110 no . 4_564
H20A H24A 3.3625 no . 4_564
H20A H24B 3.1868 no . 4_564
H20B C7 3.0894 no . 4_564
H20B C12 2.9951 no . 4_564
H20B C14 3.0910 no . 4_564
H20B C24 3.2381 no . 4_564
H20B H12 2.9336 no . 4_564
H20B H14 2.9550 no . 4_564
H20B H24A 2.9844 no . 4_564
H20B H24B 2.5919 no . 4_564
H21A C17 3.4626 no . 4_565
H21A H17A 3.3309 no . 4_565
H21A H17B 2.9737 no . 4_565
H21A H18B 2.8968 no . 4_565
H21B C6 3.5088 no . 4_565
H21B C12 3.4273 no . 4_564
H21B C13 3.5836 no . 4_565
H21B C17 3.3136 no . 4_565
H21B H6 3.2794 no . 4_565
H21B H12 2.9230 no . 4_564
H21B H13 3.2836 no . 4_565
H21B H17A 2.9431 no . 4_565
H21B H17B 2.7894 no . 4_565
H22A Cl1 3.2306 no . 4_565
H22A C5 2.9937 no . 4_565
H22A C6 3.0524 no . 4_565
H22A H4 2.7815 no . 2_545
H22A H6 3.1276 no . 4_565
H22A H12 3.2817 no . 4_564
H22A H14 3.2349 no . 4_564
H22A H24A 3.3429 no . 4_564
H22B H4 2.8835 no . 2_545
H22B H24A 2.8377 no . 4_564
H23A Cl1 2.9060 no . 2_545
H23A C3 3.4606 no . 4_565
H23A C4 3.3165 no . 2_545
H23A C4 3.3192 no . 4_565
H23A C5 3.5654 no . 4_565
H23A H4 2.5430 no . 2_545
H23A H4 3.5666 no . 4_565
H23B C1 3.0854 no . 4_565
H23B C2 3.0799 no . 4_565
H23B C3 3.3264 no . 4_565
H23B C4 3.5669 no . 4_565
H23B C5 3.5652 no . 4_565
H23B C6 3.3470 no . 4_565
H23B H17B 3.1688 no . 4_565
H23B H20A 3.2110 no . 4_565
H24A C20 3.5990 no . 4_565
H24A C22 3.5201 no . 4_565
H24A H3 2.8848 no . 3_576
H24A H4 3.4728 no . 3_576
H24A H20A 3.3625 no . 4_565
H24A H20B 2.9844 no . 4_565
H24A H22A 3.3429 no . 4_565
H24A H22B 2.8377 no . 4_565
H24B C20 3.3370 no . 4_565
H24B H18B 3.4656 no . 4_565
H24B H20A 3.1868 no . 4_565
H24B H20B 2.5919 no . 4_565
H25A Cl1 3.4787 no . 2_545
H25A C3 3.5277 no . 3_576
H25A C26 3.3545 no . 3_576
H25A H3 2.6641 no . 3_576
H25A H25A 3.3166 no . 3_576
H25A H26A 2.5415 no . 3_576
H25A H26B 3.5255 no . 3_576
H26A Cl1 3.3042 no . 4_575
H26A C5 3.2272 no . 4_575
H26A C6 3.5932 no . 4_575
H26A C25 3.4433 no . 3_576
H26A H25A 2.5415 no . 3_576
H26B Cl1 3.3724 no . 1_556
H26B C3 3.5543 no . 3_576
H26B H3 2.6661 no . 3_576
H26B H25A 3.5255 no . 3_576

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985140'
#######################################################################
#
#                 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_3d

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_moiety         'C26 H32 Cl2 N2 O2 Pt'
_chemical_formula_weight         670.55
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   10.5969(5)
_cell_length_b                   10.0106(5)
_cell_length_c                   24.0935(10)
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.1543(13)
_cell_angle_gamma                90.0000
_cell_volume                     2515.82(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    37783
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.46
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1320.00
_exptl_absorpt_coefficient_mu    5.793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.091
_exptl_absorpt_correction_T_max  0.314

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            48829
_diffrn_reflns_av_R_equivalents  0.1192
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5723
_reflns_number_gt                4826
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0394
_refine_ls_wR_factor_ref         0.1062
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5723
_refine_ls_number_parameters     298
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0441P)²+7.3702P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         3.420
_refine_diff_density_min         -1.300
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.789830(17) 0.12413(2) 0.403023(8) 0.02398(9) Uani 1.0 4 d . . .
Cl1 Cl 1.19388(14) -0.28104(17) 0.43735(7) 0.0416(4) Uani 1.0 4 d . . .
Cl2 Cl 0.52241(15) 0.61191(15) 0.44290(7) 0.0396(4) Uani 1.0 4 d . . .
O1 O 0.7765(4) -0.0274(4) 0.45457(16) 0.0293(8) Uani 1.0 4 d . . .
O2 O 0.8043(4) 0.2812(4) 0.35442(16) 0.0321(9) Uani 1.0 4 d . . .
N1 N 0.9480(4) 0.0498(5) 0.38057(19) 0.0274(10) Uani 1.0 4 d . . .
N2 N 0.6313(4) 0.2029(5) 0.42559(18) 0.0262(10) Uani 1.0 4 d . . .
C1 C 0.9750(5) -0.1394(6) 0.4463(3) 0.0272(11) Uani 1.0 4 d . . .
C2 C 0.8631(5) -0.1212(6) 0.4699(3) 0.0290(12) Uani 1.0 4 d . . .
C3 C 0.8383(6) -0.2119(7) 0.5122(3) 0.0339(13) Uani 1.0 4 d . . .
C4 C 0.9195(6) -0.3145(7) 0.5293(3) 0.0378(14) Uani 1.0 4 d . . .
C5 C 1.0303(6) -0.3362(6) 0.5055(3) 0.0356(13) Uani 1.0 4 d . . .
C6 C 1.0553(6) -0.2489(6) 0.4663(3) 0.0323(12) Uani 1.0 4 d . . .
C13 C 1.0075(5) -0.0537(6) 0.4029(3) 0.0278(11) Uani 1.0 4 d . . .
C7 C 0.6716(5) 0.4317(6) 0.3974(2) 0.0266(11) Uani 1.0 4 d . . .
C8 C 0.7684(5) 0.4027(6) 0.3651(3) 0.0279(11) Uani 1.0 4 d . . .
C9 C 0.8272(5) 0.5103(6) 0.3414(3) 0.0309(12) Uani 1.0 4 d . . .
C10 C 0.7941(6) 0.6393(6) 0.3492(3) 0.0347(13) Uani 1.0 4 d . . .
C11 C 0.6983(6) 0.6698(7) 0.3800(3) 0.0349(13) Uani 1.0 4 d . . .
C12 C 0.6402(5) 0.5700(7) 0.4032(3) 0.0296(12) Uani 1.0 4 d . . .
C14 C 0.6015(5) 0.3268(6) 0.4209(3) 0.0295(12) Uani 1.0 4 d . . .
C15 C 1.0049(6) 0.1173(6) 0.3356(3) 0.0317(13) Uani 1.0 4 d . . .
C16 C 0.9239(6) 0.1012(6) 0.2772(3) 0.0348(13) Uani 1.0 4 d . . .
C17 C 0.9063(6) -0.0425(7) 0.2575(3) 0.0381(14) Uani 1.0 4 d . . .
C18 C 0.8198(6) -0.0580(8) 0.1996(3) 0.0408(15) Uani 1.0 4 d . . .
C19 C 0.6824(6) -0.0098(8) 0.1972(3) 0.0443(16) Uani 1.0 4 d . . .
C20 C 0.6049(7) -0.0925(8) 0.2332(4) 0.0488(18) Uani 1.0 4 d . . .
C21 C 0.5022(6) -0.0149(7) 0.2546(3) 0.0385(14) Uani 1.0 4 d . . .
C22 C 0.4171(6) -0.1021(7) 0.2836(3) 0.0367(14) Uani 1.0 4 d . . .
C23 C 0.3221(6) -0.0239(7) 0.3129(3) 0.0391(14) Uani 1.0 4 d . . .
C24 C 0.3843(6) 0.0745(7) 0.3574(3) 0.0362(13) Uani 1.0 4 d . . .
C25 C 0.4784(6) 0.0125(7) 0.4048(3) 0.0337(13) Uani 1.0 4 d . . .
C26 C 0.5431(6) 0.1132(6) 0.4487(3) 0.0308(13) Uani 1.0 4 d . . .
H3 H 0.7639 -0.2004 0.5287 0.0406 Uiso 1.0 4 calc R . .
H4 H 0.9013 -0.3730 0.5580 0.0453 Uiso 1.0 4 calc R . .
H5 H 1.0854 -0.4099 0.5167 0.0427 Uiso 1.0 4 calc R . .
H13 H 1.0831 -0.0770 0.3890 0.0333 Uiso 1.0 4 calc R . .
H9 H 0.8914 0.4919 0.3195 0.0371 Uiso 1.0 4 calc R . .
H10 H 0.8368 0.7095 0.3334 0.0416 Uiso 1.0 4 calc R . .
H11 H 0.6743 0.7600 0.3846 0.0419 Uiso 1.0 4 calc R . .
H14 H 0.5259 0.3531 0.4341 0.0354 Uiso 1.0 4 calc R . .
H15A H 1.0913 0.0798 0.3353 0.0380 Uiso 1.0 4 calc R . .
H15B H 1.0151 0.2137 0.3445 0.0380 Uiso 1.0 4 calc R . .
H16A H 0.8384 0.1410 0.2774 0.0418 Uiso 1.0 4 calc R . .
H16B H 0.9645 0.1519 0.2498 0.0418 Uiso 1.0 4 calc R . .
H17A H 0.8690 -0.0942 0.2857 0.0457 Uiso 1.0 4 calc R . .
H17B H 0.9915 -0.0813 0.2557 0.0457 Uiso 1.0 4 calc R . .
H18A H 0.8584 -0.0077 0.1714 0.0490 Uiso 1.0 4 calc R . .
H18B H 0.8178 -0.1535 0.1888 0.0490 Uiso 1.0 4 calc R . .
H19A H 0.6377 -0.0121 0.1575 0.0532 Uiso 1.0 4 calc R . .
H19B H 0.6844 0.0843 0.2100 0.0532 Uiso 1.0 4 calc R . .
H20A H 0.5647 -0.1685 0.2104 0.0585 Uiso 1.0 4 calc R . .
H20B H 0.6645 -0.1297 0.2658 0.0585 Uiso 1.0 4 calc R . .
H21A H 0.4487 0.0317 0.2226 0.0461 Uiso 1.0 4 calc R . .
H21B H 0.5429 0.0539 0.2814 0.0461 Uiso 1.0 4 calc R . .
H22A H 0.4720 -0.1580 0.3121 0.0441 Uiso 1.0 4 calc R . .
H22B H 0.3680 -0.1629 0.2554 0.0441 Uiso 1.0 4 calc R . .
H23A H 0.2622 0.0255 0.2839 0.0470 Uiso 1.0 4 calc R . .
H23B H 0.2710 -0.0885 0.3308 0.0470 Uiso 1.0 4 calc R . .
H24A H 0.4294 0.1436 0.3390 0.0435 Uiso 1.0 4 calc R . .
H24B H 0.3161 0.1197 0.3737 0.0435 Uiso 1.0 4 calc R . .
H25A H 0.5455 -0.0347 0.3886 0.0404 Uiso 1.0 4 calc R . .
H25B H 0.4328 -0.0549 0.4240 0.0404 Uiso 1.0 4 calc R . .
H26A H 0.4764 0.1673 0.4623 0.0369 Uiso 1.0 4 calc R . .
H26B H 0.5914 0.0643 0.4814 0.0369 Uiso 1.0 4 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 O1 1.982(4) yes . .
Pt1 O2 1.982(4) yes . .
Pt1 N1 1.994(5) yes . .
Pt1 N2 2.016(5) yes . .
Cl1 C6 1.763(7) yes . .
Cl2 C12 1.751(6) yes . .
O1 C2 1.319(7) yes . .
O2 C8 1.314(7) yes . .
N1 C13 1.281(7) yes . .
N1 C15 1.492(8) yes . .
N2 C14 1.280(8) yes . .
N2 C26 1.475(8) yes . .
C1 C2 1.414(9) yes . .
C1 C6 1.419(8) yes . .
C1 C13 1.441(8) yes . .
C2 C3 1.424(9) yes . .
C3 C4 1.356(9) yes . .
C4 C5 1.413(10) yes . .
C5 C6 1.347(9) yes . .
C7 C8 1.422(8) yes . .
C7 C12 1.437(9) yes . .
C7 C14 1.457(9) yes . .
C8 C9 1.414(9) yes . .
C9 C10 1.360(9) yes . .
C10 C11 1.394(10) yes . .
C11 C12 1.346(9) yes . .
C15 C16 1.521(8) yes . .
C16 C17 1.516(9) yes . .
C17 C18 1.536(8) yes . .
C18 C19 1.525(9) yes . .
C19 C20 1.537(11) yes . .
C20 C21 1.501(11) yes . .
C21 C22 1.512(10) yes . .
C22 C23 1.541(10) yes . .
C23 C24 1.518(9) yes . .
C24 C25 1.510(8) yes . .
C25 C26 1.534(8) yes . .
C3 H3 0.950 no . .
C4 H4 0.950 no . .
C5 H5 0.950 no . .
C13 H13 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C11 H11 0.950 no . .
C14 H14 0.950 no . .
C15 H15A 0.990 no . .
C15 H15B 0.990 no . .
C16 H16A 0.990 no . .
C16 H16B 0.990 no . .
C17 H17A 0.990 no . .
C17 H17B 0.990 no . .
C18 H18A 0.990 no . .
C18 H18B 0.990 no . .
C19 H19A 0.990 no . .
C19 H19B 0.990 no . .
C20 H20A 0.990 no . .
C20 H20B 0.990 no . .
C21 H21A 0.990 no . .
C21 H21B 0.990 no . .
C22 H22A 0.990 no . .
C22 H22B 0.990 no . .
C23 H23A 0.990 no . .
C23 H23B 0.990 no . .
C24 H24A 0.990 no . .
C24 H24B 0.990 no . .
C25 H25A 0.990 no . .
C25 H25B 0.990 no . .
C26 H26A 0.990 no . .
C26 H26B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Pt1 O2 177.44(16) yes . . .
O1 Pt1 N1 92.34(18) yes . . .
O1 Pt1 N2 88.59(17) yes . . .
O2 Pt1 N1 88.81(18) yes . . .
O2 Pt1 N2 90.24(18) yes . . .
N1 Pt1 N2 178.88(19) yes . . .
Pt1 O1 C2 126.7(4) yes . . .
Pt1 O2 C8 124.3(4) yes . . .
Pt1 N1 C13 124.2(4) yes . . .
Pt1 N1 C15 119.7(4) yes . . .
C13 N1 C15 116.1(5) yes . . .
Pt1 N2 C14 124.0(4) yes . . .
Pt1 N2 C26 118.6(4) yes . . .
C14 N2 C26 117.4(5) yes . . .
C2 C1 C6 117.3(5) yes . . .
C2 C1 C13 122.7(5) yes . . .
C6 C1 C13 120.0(6) yes . . .
O1 C2 C1 124.8(6) yes . . .
O1 C2 C3 116.6(6) yes . . .
C1 C2 C3 118.6(5) yes . . .
C2 C3 C4 120.9(6) yes . . .
C3 C4 C5 121.4(6) yes . . .
C4 C5 C6 117.8(6) yes . . .
Cl1 C6 C1 119.9(5) yes . . .
Cl1 C6 C5 116.1(5) yes . . .
C1 C6 C5 124.0(6) yes . . .
N1 C13 C1 128.6(6) yes . . .
C8 C7 C12 116.9(5) yes . . .
C8 C7 C14 122.1(6) yes . . .
C12 C7 C14 120.9(5) yes . . .
O2 C8 C7 123.9(6) yes . . .
O2 C8 C9 117.6(6) yes . . .
C7 C8 C9 118.5(6) yes . . .
C8 C9 C10 121.7(6) yes . . .
C9 C10 C11 120.7(6) yes . . .
C10 C11 C12 119.3(6) yes . . .
Cl2 C12 C7 119.0(5) yes . . .
Cl2 C12 C11 118.2(5) yes . . .
C7 C12 C11 122.9(6) yes . . .
N2 C14 C7 126.7(6) yes . . .
N1 C15 C16 112.9(5) yes . . .
C15 C16 C17 114.0(5) yes . . .
C16 C17 C18 113.6(6) yes . . .
C17 C18 C19 114.6(6) yes . . .
C18 C19 C20 114.1(6) yes . . .
C19 C20 C21 114.0(6) yes . . .
C20 C21 C22 112.8(6) yes . . .
C21 C22 C23 114.2(6) yes . . .
C22 C23 C24 114.6(5) yes . . .
C23 C24 C25 114.4(6) yes . . .
C24 C25 C26 114.0(5) yes . . .
N2 C26 C25 112.0(5) yes . . .
C2 C3 H3 119.538 no . . .
C4 C3 H3 119.540 no . . .
C3 C4 H4 119.304 no . . .
C5 C4 H4 119.307 no . . .
C4 C5 H5 121.118 no . . .
C6 C5 H5 121.117 no . . .
N1 C13 H13 115.713 no . . .
C1 C13 H13 115.703 no . . .
C8 C9 H9 119.140 no . . .
C10 C9 H9 119.131 no . . .
C9 C10 H10 119.654 no . . .
C11 C10 H10 119.653 no . . .
C10 C11 H11 120.347 no . . .
C12 C11 H11 120.343 no . . .
N2 C14 H14 116.647 no . . .
C7 C14 H14 116.644 no . . .
N1 C15 H15A 109.013 no . . .
N1 C15 H15B 109.016 no . . .
C16 C15 H15A 108.993 no . . .
C16 C15 H15B 108.998 no . . .
H15A C15 H15B 107.783 no . . .
C15 C16 H16A 108.750 no . . .
C15 C16 H16B 108.750 no . . .
C17 C16 H16A 108.739 no . . .
C17 C16 H16B 108.730 no . . .
H16A C16 H16B 107.638 no . . .
C16 C17 H17A 108.833 no . . .
C16 C17 H17B 108.850 no . . .
C18 C17 H17A 108.847 no . . .
C18 C17 H17B 108.846 no . . .
H17A C17 H17B 107.698 no . . .
C17 C18 H18A 108.602 no . . .
C17 C18 H18B 108.618 no . . .
C19 C18 H18A 108.615 no . . .
C19 C18 H18B 108.606 no . . .
H18A C18 H18B 107.577 no . . .
C18 C19 H19A 108.721 no . . .
C18 C19 H19B 108.719 no . . .
C20 C19 H19A 108.721 no . . .
C20 C19 H19B 108.714 no . . .
H19A C19 H19B 107.631 no . . .
C19 C20 H20A 108.750 no . . .
C19 C20 H20B 108.747 no . . .
C21 C20 H20A 108.751 no . . .
C21 C20 H20B 108.750 no . . .
H20A C20 H20B 107.644 no . . .
C20 C21 H21A 109.022 no . . .
C20 C21 H21B 109.030 no . . .
C22 C21 H21A 109.032 no . . .
C22 C21 H21B 109.027 no . . .
H21A C21 H21B 107.802 no . . .
C21 C22 H22A 108.721 no . . .
C21 C22 H22B 108.717 no . . .
C23 C22 H22A 108.719 no . . .
C23 C22 H22B 108.714 no . . .
H22A C22 H22B 107.627 no . . .
C22 C23 H23A 108.620 no . . .
C22 C23 H23B 108.611 no . . .
C24 C23 H23A 108.615 no . . .
C24 C23 H23B 108.615 no . . .
H23A C23 H23B 107.574 no . . .
C23 C24 H24A 108.663 no . . .
C23 C24 H24B 108.649 no . . .
C25 C24 H24A 108.650 no . . .
C25 C24 H24B 108.645 no . . .
H24A C24 H24B 107.594 no . . .
C24 C25 H25A 108.760 no . . .
C24 C25 H25B 108.758 no . . .
C26 C25 H25A 108.750 no . . .
C26 C25 H25B 108.745 no . . .
H25A C25 H25B 107.653 no . . .
N2 C26 H26A 109.197 no . . .
N2 C26 H26B 109.197 no . . .
C25 C26 H26A 109.201 no . . .
C25 C26 H26B 109.203 no . . .
H26A C26 H26B 107.904 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Pt1 N1 C13 -6.1(4) no . . . .
O1 Pt1 N1 C15 174.9(3) no . . . .
N1 Pt1 O1 C2 9.5(3) no . . . .
O1 Pt1 N2 C14 157.8(4) no . . . .
O1 Pt1 N2 C26 -22.5(3) no . . . .
N2 Pt1 O1 C2 -169.9(3) no . . . .
O2 Pt1 N1 C13 171.6(4) no . . . .
O2 Pt1 N1 C15 -7.4(3) no . . . .
N1 Pt1 O2 C8 -147.5(3) no . . . .
O2 Pt1 N2 C14 -19.9(4) no . . . .
O2 Pt1 N2 C26 159.8(3) no . . . .
N2 Pt1 O2 C8 31.9(3) no . . . .
Pt1 O1 C2 C1 -8.5(7) no . . . .
Pt1 O1 C2 C3 173.4(3) no . . . .
Pt1 O2 C8 C7 -26.5(6) no . . . .
Pt1 O2 C8 C9 155.7(3) no . . . .
Pt1 N1 C13 C1 1.7(8) no . . . .
Pt1 N1 C15 C16 -70.5(5) no . . . .
C13 N1 C15 C16 110.3(5) no . . . .
C15 N1 C13 C1 -179.2(5) no . . . .
Pt1 N2 C14 C7 2.1(7) no . . . .
Pt1 N2 C26 C25 -66.1(5) no . . . .
C14 N2 C26 C25 113.7(5) no . . . .
C26 N2 C14 C7 -177.6(4) no . . . .
C2 C1 C6 Cl1 178.0(4) no . . . .
C2 C1 C6 C5 0.8(8) no . . . .
C6 C1 C2 O1 -177.5(5) no . . . .
C6 C1 C2 C3 0.6(7) no . . . .
C2 C1 C13 N1 2.4(9) no . . . .
C13 C1 C2 O1 1.2(8) no . . . .
C13 C1 C2 C3 179.3(5) no . . . .
C6 C1 C13 N1 -178.9(5) no . . . .
C13 C1 C6 Cl1 -0.7(7) no . . . .
C13 C1 C6 C5 -178.0(5) no . . . .
O1 C2 C3 C4 177.7(5) no . . . .
C1 C2 C3 C4 -0.6(8) no . . . .
C2 C3 C4 C5 -0.8(9) no . . . .
C3 C4 C5 C6 2.1(9) no . . . .
C4 C5 C6 Cl1 -179.4(5) no . . . .
C4 C5 C6 C1 -2.1(9) no . . . .
C8 C7 C12 Cl2 -179.6(4) no . . . .
C8 C7 C12 C11 -0.3(7) no . . . .
C12 C7 C8 O2 -177.6(4) no . . . .
C12 C7 C8 C9 0.2(7) no . . . .
C8 C7 C14 N2 14.2(8) no . . . .
C14 C7 C8 O2 -1.0(8) no . . . .
C14 C7 C8 C9 176.8(4) no . . . .
C12 C7 C14 N2 -169.3(5) no . . . .
C14 C7 C12 Cl2 3.8(7) no . . . .
C14 C7 C12 C11 -176.9(4) no . . . .
O2 C8 C9 C10 178.5(4) no . . . .
C7 C8 C9 C10 0.6(7) no . . . .
C8 C9 C10 C11 -1.4(8) no . . . .
C9 C10 C11 C12 1.4(8) no . . . .
C10 C11 C12 Cl2 178.8(4) no . . . .
C10 C11 C12 C7 -0.5(8) no . . . .
N1 C15 C16 C17 -61.3(7) no . . . .
C15 C16 C17 C18 177.6(5) no . . . .
C16 C17 C18 C19 -62.0(7) no . . . .
C17 C18 C19 C20 -66.2(8) no . . . .
C18 C19 C20 C21 151.0(6) no . . . .
C19 C20 C21 C22 172.9(5) no . . . .
C20 C21 C22 C23 172.4(5) no . . . .
C21 C22 C23 C24 -58.1(7) no . . . .
C22 C23 C24 C25 -58.6(7) no . . . .
C23 C24 C25 C26 178.6(5) no . . . .
C24 C25 C26 N2 -68.5(6) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 C1 3.343(6) no . .
Pt1 C7 3.318(6) no . .
Pt1 C16 3.575(7) no . .
Pt1 C25 3.492(6) no . .
Cl1 C13 3.032(6) no . .
Cl2 C14 3.047(7) no . .
O1 C4 3.583(8) no . .
O1 C13 2.947(7) no . .
O1 C25 3.200(7) no . .
O1 C26 2.828(7) no . .
O2 C10 3.589(8) no . .
O2 C14 2.934(8) no . .
O2 C15 2.785(8) no . .
O2 C16 3.024(8) no . .
N1 C2 3.009(8) no . .
N1 C17 3.063(8) no . .
N2 C8 2.997(8) no . .
N2 C24 3.112(7) no . .
C1 C4 2.799(9) no . .
C2 C5 2.824(8) no . .
C3 C6 2.747(9) no . .
C13 C16 3.379(8) no . .
C13 C17 3.480(8) no . .
C7 C10 2.809(9) no . .
C8 C11 2.815(9) no . .
C9 C12 2.747(9) no . .
C14 C24 3.574(9) no . .
C14 C25 3.402(9) no . .
C16 C19 3.124(9) no . .
C17 C20 3.184(10) no . .
C21 C24 3.097(10) no . .
C22 C25 3.098(9) no . .
Pt1 C5 3.393(6) no . 3_756
Pt1 C6 3.513(6) no . 3_756
Cl1 N2 3.577(5) no . 3_756
O1 C11 3.546(8) no . 1_545
O2 C5 3.561(7) no . 3_756
N1 C3 3.517(7) no . 3_756
N1 C4 3.554(8) no . 3_756
N2 Cl1 3.577(5) no . 3_756
C1 C2 3.549(8) no . 3_756
C1 C10 3.533(8) no . 1_545
C2 C1 3.549(8) no . 3_756
C2 C13 3.585(8) no . 3_756
C2 C11 3.284(8) no . 1_545
C3 N1 3.517(7) no . 3_756
C3 C13 3.569(8) no . 3_756
C3 C11 3.476(8) no . 1_545
C4 N1 3.554(8) no . 3_756
C5 Pt1 3.393(6) no . 3_756
C5 O2 3.561(7) no . 3_756
C5 C5 3.343(9) no . 3_746
C5 C8 3.516(8) no . 3_756
C6 Pt1 3.513(6) no . 3_756
C13 C2 3.585(8) no . 3_756
C13 C3 3.569(8) no . 3_756
C8 C5 3.516(8) no . 3_756
C10 C1 3.533(8) no . 1_565
C11 O1 3.546(8) no . 1_565
C11 C2 3.284(8) no . 1_565
C11 C3 3.476(8) no . 1_565
C26 C26 3.587(9) no . 3_656
Pt1 H15B 3.1110 no . .
Pt1 H16A 3.1638 no . .
Pt1 H25A 3.0060 no . .
Pt1 H26B 3.1226 no . .
Cl1 H5 2.7236 no . .
Cl1 H13 2.5345 no . .
Cl2 H11 2.7492 no . .
Cl2 H14 2.6000 no . .
O1 H3 2.5078 no . .
O1 H25A 2.6745 no . .
O1 H25B 3.5967 no . .
O1 H26B 2.3571 no . .
O2 H9 2.5072 no . .
O2 H15B 2.3855 no . .
O2 H16A 2.4047 no . .
O2 H16B 3.5249 no . .
N1 H16A 2.7106 no . .
N1 H16B 3.3470 no . .
N1 H17A 2.7076 no . .
N1 H17B 3.3879 no . .
N2 H24A 2.7765 no . .
N2 H24B 3.4556 no . .
N2 H25A 2.6443 no . .
N2 H25B 3.3252 no . .
C1 H3 3.2979 no . .
C1 H5 3.2987 no . .
C2 H4 3.2740 no . .
C2 H13 3.3211 no . .
C2 H26B 3.4777 no . .
C3 H5 3.2704 no . .
C5 H3 3.2688 no . .
C6 H4 3.2179 no . .
C6 H13 2.5897 no . .
C13 H15A 2.3958 no . .
C13 H15B 3.0316 no . .
C13 H17A 2.9725 no . .
C13 H17B 3.5326 no . .
C7 H9 3.2944 no . .
C7 H11 3.3015 no . .
C8 H10 3.2767 no . .
C8 H14 3.3351 no . .
C8 H15B 3.3343 no . .
C8 H16A 3.5264 no . .
C9 H11 3.2482 no . .
C9 H15B 3.5688 no . .
C11 H9 3.2457 no . .
C12 H10 3.2186 no . .
C12 H14 2.6558 no . .
C14 H24A 3.0522 no . .
C14 H26A 2.4017 no . .
C14 H26B 3.0168 no . .
C15 H13 2.3986 no . .
C15 H17A 2.7186 no . .
C15 H17B 2.7528 no . .
C16 H13 3.4188 no . .
C16 H18A 2.7457 no . .
C16 H18B 3.3851 no . .
C16 H19B 2.7642 no . .
C16 H20B 3.5650 no . .
C17 H13 3.4025 no . .
C17 H15A 2.7489 no . .
C17 H15B 3.3828 no . .
C17 H19A 3.4035 no . .
C17 H19B 2.7392 no . .
C17 H20B 2.7478 no . .
C18 H16A 2.7175 no . .
C18 H16B 2.7520 no . .
C18 H20A 2.9742 no . .
C18 H20B 2.5867 no . .
C19 H16A 2.7600 no . .
C19 H16B 3.4393 no . .
C19 H17A 2.7717 no . .
C19 H17B 3.4053 no . .
C19 H21A 2.6858 no . .
C19 H21B 2.7879 no . .
C20 H16A 3.4337 no . .
C20 H17A 2.8602 no . .
C20 H18A 3.3993 no . .
C20 H18B 2.7306 no . .
C20 H22A 2.6403 no . .
C20 H22B 2.7492 no . .
C21 H19A 2.9535 no . .
C21 H19B 2.5692 no . .
C21 H23A 2.7857 no . .
C21 H23B 3.3916 no . .
C21 H24A 2.7920 no . .
C21 H25A 3.1853 no . .
C22 H20A 2.6409 no . .
C22 H20B 2.7439 no . .
C22 H24A 2.7898 no . .
C22 H24B 3.4063 no . .
C22 H25A 2.7363 no . .
C22 H25B 3.3898 no . .
C23 H21A 2.8067 no . .
C23 H21B 2.6981 no . .
C23 H25A 2.7229 no . .
C23 H25B 2.7434 no . .
C24 H14 3.5314 no . .
C24 H21A 3.4625 no . .
C24 H21B 2.7023 no . .
C24 H22A 2.7981 no . .
C24 H22B 3.4022 no . .
C24 H26A 2.7074 no . .
C24 H26B 3.3823 no . .
C25 H14 3.5010 no . .
C25 H21B 3.1922 no . .
C25 H22A 2.8025 no . .
C25 H23A 3.3759 no . .
C25 H23B 2.7656 no . .
C26 H14 2.4295 no . .
C26 H24A 2.7228 no . .
C26 H24B 2.7437 no . .
H3 H4 2.2896 no . .
H3 H26B 3.3055 no . .
H4 H5 2.3688 no . .
H13 H15A 2.0468 no . .
H13 H15B 3.1410 no . .
H13 H17A 3.0636 no . .
H13 H17B 3.1888 no . .
H9 H10 2.2928 no . .
H9 H15B 3.0924 no . .
H10 H11 2.3437 no . .
H14 H24A 3.1426 no . .
H14 H24B 3.3740 no . .
H14 H26A 2.0790 no . .
H14 H26B 3.1406 no . .
H15A H16A 2.8607 no . .
H15A H16B 2.3649 no . .
H15A H17A 3.0031 no . .
H15A H17B 2.5847 no . .
H15B H16A 2.3623 no . .
H15B H16B 2.3333 no . .
H16A H17A 2.3802 no . .
H16A H17B 2.8552 no . .
H16A H18A 2.9939 no . .
H16A H19B 2.1649 no . .
H16A H20B 3.2616 no . .
H16A H21B 3.2687 no . .
H16B H17A 2.8554 no . .
H16B H17B 2.3525 no . .
H16B H18A 2.5750 no . .
H16B H19B 3.0308 no . .
H17A H18A 2.8689 no . .
H17A H18B 2.3777 no . .
H17A H19B 3.0142 no . .
H17A H20A 3.4897 no . .
H17A H20B 2.1644 no . .
H17B H18A 2.3750 no . .
H17B H18B 2.3373 no . .
H17B H20B 3.5494 no . .
H18A H19A 2.3031 no . .
H18A H19B 2.3898 no . .
H18A H20B 3.5396 no . .
H18B H19A 2.3886 no . .
H18B H19B 2.8595 no . .
H18B H20A 2.8246 no . .
H18B H20B 2.6839 no . .
H19A H20A 2.2416 no . .
H19A H20B 2.8317 no . .
H19A H21A 2.7874 no . .
H19A H21B 3.3801 no . .
H19B H20A 2.8316 no . .
H19B H20B 2.5579 no . .
H19B H21A 2.6220 no . .
H19B H21B 2.4933 no . .
H20A H21A 2.3960 no . .
H20A H21B 2.8430 no . .
H20A H22A 2.7980 no . .
H20A H22B 2.5136 no . .
H20B H21A 2.8434 no . .
H20B H21B 2.3136 no . .
H20B H22A 2.5072 no . .
H20B H22B 3.1251 no . .
H20B H25A 3.5441 no . .
H21A H22A 2.8511 no . .
H21A H22B 2.3212 no . .
H21A H23A 2.6684 no . .
H21A H24A 3.0602 no . .
H21B H22A 2.4089 no . .
H21B H22B 2.8513 no . .
H21B H23A 2.9984 no . .
H21B H23B 3.5995 no . .
H21B H24A 2.1816 no . .
H21B H25A 2.7245 no . .
H22A H23A 2.8709 no . .
H22A H23B 2.3584 no . .
H22A H24A 3.1365 no . .
H22A H25A 2.2405 no . .
H22A H25B 2.9836 no . .
H22B H23A 2.3575 no . .
H22B H23B 2.3611 no . .
H23A H24A 2.3384 no . .
H23A H24B 2.3362 no . .
H23B H24A 2.8529 no . .
H23B H24B 2.3379 no . .
H23B H25A 3.0431 no . .
H23B H25B 2.5955 no . .
H24A H25A 2.3677 no . .
H24A H25B 2.8494 no . .
H24A H26A 2.9344 no . .
H24B H25A 2.8494 no . .
H24B H25B 2.3509 no . .
H24B H26A 2.5285 no . .
H24B H26B 3.5901 no . .
H25A H26A 2.8700 no . .
H25A H26B 2.4163 no . .
H25B H26A 2.4210 no . .
H25B H26B 2.3112 no . .
Pt1 H5 3.5733 no . 3_756
Cl1 H18A 3.4371 no . 2_745
Cl1 H23B 3.4222 no . 1_655
Cl1 H25B 3.4532 no . 1_655
Cl1 H26B 3.4854 no . 3_756
Cl2 H3 3.5337 no . 1_565
Cl2 H14 3.1140 no . 3_666
Cl2 H19A 2.9701 no . 2_655
Cl2 H25B 3.4758 no . 1_565
Cl2 H26A 3.1772 no . 3_666
O1 H11 2.8101 no . 1_545
O2 H4 3.5649 no . 3_756
O2 H5 3.3742 no . 3_756
O2 H22B 2.9899 no . 2_655
C1 H10 3.2309 no . 1_545
C1 H11 3.4213 no . 1_545
C2 H11 2.8616 no . 1_545
C3 H11 3.2660 no . 1_545
C3 H15B 3.5279 no . 3_756
C3 H24B 3.5603 no . 3_656
C3 H26A 3.5242 no . 3_656
C4 H5 2.9707 no . 3_746
C4 H15B 3.1627 no . 3_756
C5 H4 3.4242 no . 3_746
C5 H5 2.8319 no . 3_746
C13 H10 3.2612 no . 1_545
C13 H23B 3.5565 no . 1_655
C7 H5 3.0140 no . 3_756
C7 H19A 3.3582 no . 2_655
C7 H20A 3.4238 no . 2_655
C7 H21A 3.1107 no . 2_655
C8 H5 2.9921 no . 3_756
C8 H21A 3.1161 no . 2_655
C8 H22B 3.0767 no . 2_655
C9 H5 3.5261 no . 3_756
C9 H17B 3.4044 no . 2_755
C9 H18A 3.4056 no . 2_755
C9 H21A 3.0623 no . 2_655
C9 H22B 3.3192 no . 2_655
C9 H23A 3.0043 no . 2_655
C10 H17A 3.2421 no . 1_565
C10 H20B 3.2081 no . 1_565
C10 H21A 3.0331 no . 2_655
C10 H23A 3.3551 no . 2_655
C11 H20B 3.3737 no . 1_565
C11 H21A 3.0149 no . 2_655
C11 H22A 3.1655 no . 1_565
C11 H25A 3.3964 no . 1_565
C12 H5 3.5733 no . 3_756
C12 H19A 3.1571 no . 2_655
C12 H21A 3.0356 no . 2_655
C14 H5 3.4931 no . 3_756
C14 H19A 3.3022 no . 2_655
C14 H20A 3.3382 no . 2_655
C15 H18B 3.0868 no . 2_755
C15 H23A 3.3207 no . 1_655
C15 H23B 3.5104 no . 1_655
C15 H24B 3.2633 no . 1_655
C16 H9 3.4731 no . 2_745
C16 H17B 3.4331 no . 2_755
C17 H9 3.0913 no . 2_745
C17 H10 3.2440 no . 1_545
C17 H16B 3.3682 no . 2_745
C18 H9 3.2134 no . 2_745
C18 H15B 3.1734 no . 2_745
C20 H24A 3.1482 no . 2_645
C22 H11 3.5940 no . 1_545
C22 H19B 3.3310 no . 2_645
C23 H13 3.4206 no . 1_455
C23 H9 3.5743 no . 2_645
C23 H15A 2.7961 no . 1_455
C23 H17B 3.5787 no . 1_455
C24 H15A 3.0571 no . 1_455
C24 H18B 3.5214 no . 2_655
C24 H20A 3.1449 no . 2_655
C25 H11 3.3604 no . 1_545
C25 H26B 3.0600 no . 3_656
C26 H3 3.5021 no . 3_656
C26 H25B 3.0874 no . 3_656
C26 H26A 3.5604 no . 3_656
C26 H26B 2.9769 no . 3_656
H3 Cl2 3.5337 no . 1_545
H3 C26 3.5021 no . 3_656
H3 H11 3.4562 no . 1_545
H3 H15A 3.5752 no . 3_756
H3 H15B 3.5098 no . 3_756
H3 H24B 2.7587 no . 3_656
H3 H26A 2.6148 no . 3_656
H4 O2 3.5649 no . 3_756
H4 C5 3.4242 no . 3_746
H4 H5 2.8407 no . 3_746
H4 H9 3.5598 no . 3_756
H4 H15B 2.8500 no . 3_756
H4 H18A 3.0897 no . 4_545
H4 H18B 3.4306 no . 4_545
H5 Pt1 3.5733 no . 3_756
H5 O2 3.3742 no . 3_756
H5 C4 2.9707 no . 3_746
H5 C5 2.8319 no . 3_746
H5 C7 3.0140 no . 3_756
H5 C8 2.9921 no . 3_756
H5 C9 3.5261 no . 3_756
H5 C12 3.5733 no . 3_756
H5 C14 3.4931 no . 3_756
H5 H4 2.8407 no . 3_746
H5 H5 2.5819 no . 3_746
H13 C23 3.4206 no . 1_655
H13 H10 3.4564 no . 1_545
H13 H23A 3.5736 no . 1_655
H13 H23B 2.6329 no . 1_655
H13 H24B 3.2301 no . 1_655
H9 C16 3.4731 no . 2_755
H9 C17 3.0913 no . 2_755
H9 C18 3.2134 no . 2_755
H9 C23 3.5743 no . 2_655
H9 H4 3.5598 no . 3_756
H9 H16B 2.9285 no . 2_755
H9 H17B 2.4798 no . 2_755
H9 H18A 2.6223 no . 2_755
H9 H18B 3.4458 no . 2_755
H9 H21A 3.5895 no . 2_655
H9 H22B 3.3855 no . 2_655
H9 H23A 2.7452 no . 2_655
H10 C1 3.2309 no . 1_565
H10 C13 3.2612 no . 1_565
H10 C17 3.2440 no . 1_565
H10 H13 3.4564 no . 1_565
H10 H16B 3.2038 no . 2_755
H10 H17A 2.3318 no . 1_565
H10 H17B 3.4152 no . 1_565
H10 H20B 2.7434 no . 1_565
H10 H21A 3.5633 no . 2_655
H10 H23A 3.3807 no . 2_655
H11 O1 2.8101 no . 1_565
H11 C1 3.4213 no . 1_565
H11 C2 2.8616 no . 1_565
H11 C3 3.2660 no . 1_565
H11 C22 3.5940 no . 1_565
H11 C25 3.3604 no . 1_565
H11 H3 3.4562 no . 1_565
H11 H20B 3.0528 no . 1_565
H11 H21A 3.5222 no . 2_655
H11 H22A 2.6466 no . 1_565
H11 H25A 2.4786 no . 1_565
H11 H25B 3.4264 no . 1_565
H14 Cl2 3.1140 no . 3_666
H14 H19A 2.8896 no . 2_655
H14 H20A 3.4515 no . 2_655
H15A C23 2.7961 no . 1_655
H15A C24 3.0571 no . 1_655
H15A H3 3.5752 no . 3_756
H15A H18B 2.9309 no . 2_755
H15A H23A 2.4294 no . 1_655
H15A H23B 2.5596 no . 1_655
H15A H24B 2.4318 no . 1_655
H15B C3 3.5279 no . 3_756
H15B C4 3.1627 no . 3_756
H15B C18 3.1734 no . 2_755
H15B H3 3.5098 no . 3_756
H15B H4 2.8500 no . 3_756
H15B H17B 3.1593 no . 2_755
H15B H18A 3.1477 no . 2_755
H15B H18B 2.4592 no . 2_755
H15B H24B 3.2807 no . 1_655
H16A H17B 3.4816 no . 2_755
H16A H22B 2.9412 no . 2_655
H16B C17 3.3682 no . 2_755
H16B H9 2.9285 no . 2_745
H16B H10 3.2038 no . 2_745
H16B H17A 3.2917 no . 2_755
H16B H17B 2.7189 no . 2_755
H16B H18B 3.1792 no . 2_755
H16B H23A 3.3638 no . 1_655
H17A C10 3.2421 no . 1_545
H17A H10 2.3318 no . 1_545
H17A H16B 3.2917 no . 2_745
H17B C9 3.4044 no . 2_745
H17B C16 3.4331 no . 2_745
H17B C23 3.5787 no . 1_655
H17B H9 2.4798 no . 2_745
H17B H10 3.4152 no . 1_545
H17B H15B 3.1593 no . 2_745
H17B H16A 3.4816 no . 2_745
H17B H16B 2.7189 no . 2_745
H17B H23A 3.0249 no . 1_655
H17B H23B 3.1884 no . 1_655
H18A Cl1 3.4371 no . 2_755
H18A C9 3.4056 no . 2_745
H18A H4 3.0897 no . 4_544
H18A H9 2.6223 no . 2_745
H18A H15B 3.1477 no . 2_745
H18B C15 3.0868 no . 2_745
H18B C24 3.5214 no . 2_645
H18B H4 3.4306 no . 4_544
H18B H9 3.4458 no . 2_745
H18B H15A 2.9309 no . 2_745
H18B H15B 2.4592 no . 2_745
H18B H16B 3.1792 no . 2_745
H18B H23A 3.4174 no . 2_645
H18B H24A 3.2894 no . 2_645
H18B H24B 2.9458 no . 2_645
H19A Cl2 2.9701 no . 2_645
H19A C7 3.3582 no . 2_645
H19A C12 3.1571 no . 2_645
H19A C14 3.3022 no . 2_645
H19A H14 2.8896 no . 2_645
H19A H24A 3.5242 no . 2_645
H19B C22 3.3310 no . 2_655
H19B H22A 3.0623 no . 2_655
H19B H22B 2.7523 no . 2_655
H19B H23B 3.4759 no . 2_655
H20A C7 3.4238 no . 2_645
H20A C14 3.3382 no . 2_645
H20A C24 3.1449 no . 2_645
H20A H14 3.4515 no . 2_645
H20A H21A 3.4232 no . 2_645
H20A H21B 3.0230 no . 2_645
H20A H23A 3.5601 no . 2_645
H20A H24A 2.2320 no . 2_645
H20A H24B 3.3304 no . 2_645
H20B C10 3.2081 no . 1_545
H20B C11 3.3737 no . 1_545
H20B H10 2.7434 no . 1_545
H20B H11 3.0528 no . 1_545
H20B H24A 3.4098 no . 2_645
H21A C7 3.1107 no . 2_645
H21A C8 3.1161 no . 2_645
H21A C9 3.0623 no . 2_645
H21A C10 3.0331 no . 2_645
H21A C11 3.0149 no . 2_645
H21A C12 3.0356 no . 2_645
H21A H9 3.5895 no . 2_645
H21A H10 3.5633 no . 2_645
H21A H11 3.5222 no . 2_645
H21A H20A 3.4232 no . 2_655
H21A H22A 3.3620 no . 2_655
H21B H20A 3.0230 no . 2_655
H21B H22B 3.1638 no . 2_655
H22A C11 3.1655 no . 1_545
H22A H11 2.6466 no . 1_545
H22A H19B 3.0623 no . 2_645
H22A H21A 3.3620 no . 2_645
H22B O2 2.9899 no . 2_645
H22B C8 3.0767 no . 2_645
H22B C9 3.3192 no . 2_645
H22B H9 3.3855 no . 2_645
H22B H16A 2.9412 no . 2_645
H22B H19B 2.7523 no . 2_645
H22B H21B 3.1638 no . 2_645
H23A C9 3.0043 no . 2_645
H23A C10 3.3551 no . 2_645
H23A C15 3.3207 no . 1_455
H23A H13 3.5736 no . 1_455
H23A H9 2.7452 no . 2_645
H23A H10 3.3807 no . 2_645
H23A H15A 2.4294 no . 1_455
H23A H16B 3.3638 no . 1_455
H23A H17B 3.0249 no . 1_455
H23A H18B 3.4174 no . 2_655
H23A H20A 3.5601 no . 2_655
H23B Cl1 3.4222 no . 1_455
H23B C13 3.5565 no . 1_455
H23B C15 3.5104 no . 1_455
H23B H13 2.6329 no . 1_455
H23B H15A 2.5596 no . 1_455
H23B H17B 3.1884 no . 1_455
H23B H19B 3.4759 no . 2_645
H24A C20 3.1482 no . 2_655
H24A H18B 3.2894 no . 2_655
H24A H19A 3.5242 no . 2_655
H24A H20A 2.2320 no . 2_655
H24A H20B 3.4098 no . 2_655
H24B C3 3.5603 no . 3_656
H24B C15 3.2633 no . 1_455
H24B H3 2.7587 no . 3_656
H24B H13 3.2301 no . 1_455
H24B H15A 2.4318 no . 1_455
H24B H15B 3.2807 no . 1_455
H24B H18B 2.9458 no . 2_655
H24B H20A 3.3304 no . 2_655
H25A C11 3.3964 no . 1_545
H25A H11 2.4786 no . 1_545
H25B Cl1 3.4532 no . 1_455
H25B Cl2 3.4758 no . 1_545
H25B C26 3.0874 no . 3_656
H25B H11 3.4264 no . 1_545
H25B H26A 2.9612 no . 3_656
H25B H26B 2.3396 no . 3_656
H26A Cl2 3.1772 no . 3_666
H26A C3 3.5242 no . 3_656
H26A C26 3.5604 no . 3_656
H26A H3 2.6148 no . 3_656
H26A H25B 2.9612 no . 3_656
H26A H26B 2.8407 no . 3_656
H26B Cl1 3.4854 no . 3_756
H26B C25 3.0600 no . 3_656
H26B C26 2.9769 no . 3_656
H26B H25B 2.3396 no . 3_656
H26B H26A 2.8407 no . 3_656
H26B H26B 2.6110 no . 3_656

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985141'
#######################################################################
#
#                 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_3e

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C26 H32 F2 N2 O2 Pt'
_chemical_formula_moiety         'C26 H32 F2 N2 O2 Pt'
_chemical_formula_weight         637.64
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-Y,1/2+Z
#------------------------------------------------------------------------------
_cell_length_a                   23.8726(8)
_cell_length_b                   10.2735(4)
_cell_length_c                   20.2881(6)
_cell_angle_alpha                90.0000
_cell_angle_beta                 98.8496(11)
_cell_angle_gamma                90.0000
_cell_volume                     4916.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    38974
_cell_measurement_theta_min      3.05
_cell_measurement_theta_max      27.46
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.300
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2512.00
_exptl_absorpt_coefficient_mu    5.725
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_absorpt_correction_T_min  0.090
_exptl_absorpt_correction_T_max  0.179

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            47837
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             5609
_reflns_number_gt                5103
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0267
_refine_ls_wR_factor_ref         0.0597
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         5609
_refine_ls_number_parameters     298
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0054P)²+22.9072P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.000
_refine_diff_density_max         1.320
_refine_diff_density_min         -1.280
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.847530(5) 0.756490(11) 0.556230(6) 0.02382(5) Uani 1.0 8 d . . .
F1 F 0.74090(11) 0.8487(3) 0.83178(12) 0.0503(6) Uani 1.0 8 d . . .
F2 F 0.94684(11) 0.6378(3) 0.27877(12) 0.0551(7) Uani 1.0 8 d . . .
O1 O 0.80879(11) 0.8278(3) 0.62859(13) 0.0358(6) Uani 1.0 8 d . . .
O2 O 0.88645(11) 0.6796(3) 0.48501(12) 0.0357(6) Uani 1.0 8 d . . .
N1 N 0.89595(12) 0.6360(3) 0.61987(14) 0.0291(6) Uani 1.0 8 d . . .
N2 N 0.79952(12) 0.8753(3) 0.49255(15) 0.0318(7) Uani 1.0 8 d . . .
C1 C 0.84316(15) 0.6693(4) 0.71337(18) 0.0325(8) Uani 1.0 8 d . . .
C2 C 0.81013(15) 0.7771(4) 0.68822(17) 0.0326(8) Uani 1.0 8 d . . .
C3 C 0.77601(16) 0.8394(4) 0.73062(19) 0.0357(8) Uani 1.0 8 d . . .
C4 C 0.77454(16) 0.7882(4) 0.79287(19) 0.0366(9) Uani 1.0 8 d . . .
C5 C 0.80518(17) 0.6791(4) 0.8175(2) 0.0406(9) Uani 1.0 8 d . . .
C6 C 0.83898(17) 0.6229(5) 0.7768(2) 0.0413(9) Uani 1.0 8 d . . .
C7 C 0.83892(15) 0.8081(4) 0.39311(18) 0.0324(8) Uani 1.0 8 d . . .
C8 C 0.87960(16) 0.7151(4) 0.42218(18) 0.0332(8) Uani 1.0 8 d . . .
C9 C 0.91527(16) 0.6592(4) 0.3810(2) 0.0378(9) Uani 1.0 8 d . . .
C10 C 0.91068(17) 0.6950(5) 0.3158(2) 0.0420(10) Uani 1.0 8 d . . .
C11 C 0.87142(19) 0.7853(5) 0.2858(2) 0.0473(11) Uani 1.0 8 d . . .
C12 C 0.83609(17) 0.8398(5) 0.3255(2) 0.0423(10) Uani 1.0 8 d . . .
C13 C 0.88524(15) 0.6106(4) 0.67887(18) 0.0311(8) Uani 1.0 8 d . . .
C14 C 0.80166(15) 0.8783(4) 0.42953(19) 0.0339(8) Uani 1.0 8 d . . .
C15 C 0.94761(15) 0.5772(4) 0.60063(19) 0.0322(8) Uani 1.0 8 d . . .
C16 C 0.99267(15) 0.6813(4) 0.5956(2) 0.0367(9) Uani 1.0 8 d . . .
C17 C 1.01398(17) 0.7499(4) 0.6604(3) 0.0436(10) Uani 1.0 8 d . . .
C18 C 1.05628(17) 0.8591(5) 0.6530(3) 0.0509(12) Uani 1.0 8 d . . .
C19 C 1.03128(17) 0.9707(5) 0.6079(3) 0.0481(11) Uani 1.0 8 d . . .
C20 C 0.98453(17) 1.0477(5) 0.6316(2) 0.0452(10) Uani 1.0 8 d . . .
C21 C 0.95265(17) 1.1336(4) 0.5783(2) 0.0425(10) Uani 1.0 8 d . . .
C22 C 0.90818(19) 1.2200(4) 0.6018(2) 0.0442(10) Uani 1.0 8 d . . .
C23 C 0.8632(2) 1.2726(4) 0.5471(3) 0.0460(10) Uani 1.0 8 d . . .
C24 C 0.82682(17) 1.1652(4) 0.5078(2) 0.0412(9) Uani 1.0 8 d . . .
C25 C 0.79635(17) 1.0826(4) 0.5527(2) 0.0395(9) Uani 1.0 8 d . . .
C26 C 0.76123(15) 0.9718(4) 0.51794(19) 0.0340(8) Uani 1.0 8 d . . .
H3 H 0.7547 0.9149 0.7161 0.0428 Uiso 1.0 8 calc R . .
H5 H 0.8028 0.6451 0.8605 0.0488 Uiso 1.0 8 calc R . .
H6 H 0.8606 0.5486 0.7926 0.0495 Uiso 1.0 8 calc R . .
H9 H 0.9427 0.5963 0.3987 0.0453 Uiso 1.0 8 calc R . .
H11 H 0.8692 0.8082 0.2402 0.0567 Uiso 1.0 8 calc R . .
H12 H 0.8086 0.9014 0.3064 0.0508 Uiso 1.0 8 calc R . .
H13 H 0.9079 0.5448 0.7026 0.0373 Uiso 1.0 8 calc R . .
H14 H 0.7751 0.9343 0.4038 0.0406 Uiso 1.0 8 calc R . .
H15A H 0.9379 0.5327 0.5571 0.0387 Uiso 1.0 8 calc R . .
H15B H 0.9630 0.5113 0.6342 0.0387 Uiso 1.0 8 calc R . .
H16A H 1.0253 0.6400 0.5789 0.0440 Uiso 1.0 8 calc R . .
H16B H 0.9766 0.7471 0.5623 0.0440 Uiso 1.0 8 calc R . .
H17A H 1.0324 0.6853 0.6930 0.0524 Uiso 1.0 8 calc R . .
H17B H 0.9812 0.7869 0.6786 0.0524 Uiso 1.0 8 calc R . .
H18A H 1.0707 0.8947 0.6978 0.0611 Uiso 1.0 8 calc R . .
H18B H 1.0889 0.8219 0.6347 0.0611 Uiso 1.0 8 calc R . .
H19A H 1.0623 1.0315 0.6021 0.0578 Uiso 1.0 8 calc R . .
H19B H 1.0165 0.9342 0.5634 0.0578 Uiso 1.0 8 calc R . .
H20A H 1.0010 1.1025 0.6698 0.0542 Uiso 1.0 8 calc R . .
H20B H 0.9575 0.9865 0.6476 0.0542 Uiso 1.0 8 calc R . .
H21A H 0.9339 1.0777 0.5416 0.0510 Uiso 1.0 8 calc R . .
H21B H 0.9803 1.1894 0.5598 0.0510 Uiso 1.0 8 calc R . .
H22A H 0.9276 1.2946 0.6263 0.0530 Uiso 1.0 8 calc R . .
H22B H 0.8891 1.1699 0.6336 0.0530 Uiso 1.0 8 calc R . .
H23A H 0.8819 1.3243 0.5156 0.0552 Uiso 1.0 8 calc R . .
H23B H 0.8379 1.3318 0.5674 0.0552 Uiso 1.0 8 calc R . .
H24A H 0.7986 1.2062 0.4731 0.0495 Uiso 1.0 8 calc R . .
H24B H 0.8516 1.1088 0.4851 0.0495 Uiso 1.0 8 calc R . .
H25A H 0.7711 1.1396 0.5743 0.0474 Uiso 1.0 8 calc R . .
H25B H 0.8248 1.0454 0.5884 0.0474 Uiso 1.0 8 calc R . .
H26A H 0.7395 0.9289 0.5497 0.0408 Uiso 1.0 8 calc R . .
H26B H 0.7339 1.0065 0.4803 0.0408 Uiso 1.0 8 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 O1 1.991(3) yes . .
Pt1 O2 1.997(3) yes . .
Pt1 N1 2.019(3) yes . .
Pt1 N2 2.004(3) yes . .
F1 C4 1.360(5) yes . .
F2 C10 1.362(6) yes . .
O1 C2 1.313(5) yes . .
O2 C8 1.311(5) yes . .
N1 C13 1.289(5) yes . .
N1 C15 1.479(5) yes . .
N2 C14 1.288(5) yes . .
N2 C26 1.493(5) yes . .
C1 C2 1.409(6) yes . .
C1 C6 1.390(6) yes . .
C1 C13 1.442(6) yes . .
C2 C3 1.424(6) yes . .
C3 C4 1.374(6) yes . .
C4 C5 1.388(6) yes . .
C5 C6 1.368(7) yes . .
C7 C8 1.424(5) yes . .
C7 C12 1.402(6) yes . .
C7 C14 1.435(6) yes . .
C8 C9 1.404(6) yes . .
C9 C10 1.362(6) yes . .
C10 C11 1.391(6) yes . .
C11 C12 1.371(7) yes . .
C15 C16 1.532(6) yes . .
C16 C17 1.510(6) yes . .
C17 C18 1.533(6) yes . .
C18 C19 1.530(7) yes . .
C19 C20 1.506(7) yes . .
C20 C21 1.509(6) yes . .
C21 C22 1.516(7) yes . .
C22 C23 1.520(6) yes . .
C23 C24 1.547(6) yes . .
C24 C25 1.511(6) yes . .
C25 C26 1.521(6) yes . .
C3 H3 0.950 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C9 H9 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15A 0.990 no . .
C15 H15B 0.990 no . .
C16 H16A 0.990 no . .
C16 H16B 0.990 no . .
C17 H17A 0.990 no . .
C17 H17B 0.990 no . .
C18 H18A 0.990 no . .
C18 H18B 0.990 no . .
C19 H19A 0.990 no . .
C19 H19B 0.990 no . .
C20 H20A 0.990 no . .
C20 H20B 0.990 no . .
C21 H21A 0.990 no . .
C21 H21B 0.990 no . .
C22 H22A 0.990 no . .
C22 H22B 0.990 no . .
C23 H23A 0.990 no . .
C23 H23B 0.990 no . .
C24 H24A 0.990 no . .
C24 H24B 0.990 no . .
C25 H25A 0.990 no . .
C25 H25B 0.990 no . .
C26 H26A 0.990 no . .
C26 H26B 0.990 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Pt1 O2 178.25(11) yes . . .
O1 Pt1 N1 92.26(12) yes . . .
O1 Pt1 N2 88.09(12) yes . . .
O2 Pt1 N1 86.33(11) yes . . .
O2 Pt1 N2 93.32(12) yes . . .
N1 Pt1 N2 179.62(13) yes . . .
Pt1 O1 C2 125.8(3) yes . . .
Pt1 O2 C8 126.2(3) yes . . .
Pt1 N1 C13 122.9(3) yes . . .
Pt1 N1 C15 120.0(3) yes . . .
C13 N1 C15 117.1(3) yes . . .
Pt1 N2 C14 123.3(3) yes . . .
Pt1 N2 C26 120.1(3) yes . . .
C14 N2 C26 116.5(3) yes . . .
C2 C1 C6 119.3(4) yes . . .
C2 C1 C13 123.1(4) yes . . .
C6 C1 C13 117.4(4) yes . . .
O1 C2 C1 125.4(4) yes . . .
O1 C2 C3 116.3(4) yes . . .
C1 C2 C3 118.3(4) yes . . .
C2 C3 C4 118.8(4) yes . . .
F1 C4 C3 117.4(4) yes . . .
F1 C4 C5 119.1(4) yes . . .
C3 C4 C5 123.6(4) yes . . .
C4 C5 C6 116.8(4) yes . . .
C1 C6 C5 123.2(4) yes . . .
C8 C7 C12 119.2(4) yes . . .
C8 C7 C14 124.1(4) yes . . .
C12 C7 C14 116.5(4) yes . . .
O2 C8 C7 124.3(4) yes . . .
O2 C8 C9 117.9(4) yes . . .
C7 C8 C9 117.7(4) yes . . .
C8 C9 C10 120.2(4) yes . . .
F2 C10 C9 117.2(4) yes . . .
F2 C10 C11 119.3(4) yes . . .
C9 C10 C11 123.6(4) yes . . .
C10 C11 C12 116.8(4) yes . . .
C7 C12 C11 122.5(4) yes . . .
N1 C13 C1 128.2(4) yes . . .
N2 C14 C7 128.4(4) yes . . .
N1 C15 C16 110.8(3) yes . . .
C15 C16 C17 114.4(4) yes . . .
C16 C17 C18 113.2(4) yes . . .
C17 C18 C19 113.9(4) yes . . .
C18 C19 C20 116.2(4) yes . . .
C19 C20 C21 113.2(4) yes . . .
C20 C21 C22 114.7(4) yes . . .
C21 C22 C23 115.5(4) yes . . .
C22 C23 C24 113.6(4) yes . . .
C23 C24 C25 111.9(4) yes . . .
C24 C25 C26 115.0(4) yes . . .
N2 C26 C25 109.5(3) yes . . .
C2 C3 H3 120.624 no . . .
C4 C3 H3 120.620 no . . .
C4 C5 H5 121.616 no . . .
C6 C5 H5 121.620 no . . .
C1 C6 H6 118.410 no . . .
C5 C6 H6 118.421 no . . .
C8 C9 H9 119.919 no . . .
C10 C9 H9 119.930 no . . .
C10 C11 H11 121.607 no . . .
C12 C11 H11 121.619 no . . .
C7 C12 H12 118.739 no . . .
C11 C12 H12 118.736 no . . .
N1 C13 H13 115.901 no . . .
C1 C13 H13 115.897 no . . .
N2 C14 H14 115.796 no . . .
C7 C14 H14 115.795 no . . .
N1 C15 H15A 109.487 no . . .
N1 C15 H15B 109.488 no . . .
C16 C15 H15A 109.485 no . . .
C16 C15 H15B 109.488 no . . .
H15A C15 H15B 108.063 no . . .
C15 C16 H16A 108.662 no . . .
C15 C16 H16B 108.657 no . . .
C17 C16 H16A 108.659 no . . .
C17 C16 H16B 108.661 no . . .
H16A C16 H16B 107.600 no . . .
C16 C17 H17A 108.928 no . . .
C16 C17 H17B 108.922 no . . .
C18 C17 H17A 108.926 no . . .
C18 C17 H17B 108.928 no . . .
H17A C17 H17B 107.751 no . . .
C17 C18 H18A 108.779 no . . .
C17 C18 H18B 108.773 no . . .
C19 C18 H18A 108.772 no . . .
C19 C18 H18B 108.776 no . . .
H18A C18 H18B 107.647 no . . .
C18 C19 H19A 108.237 no . . .
C18 C19 H19B 108.232 no . . .
C20 C19 H19A 108.233 no . . .
C20 C19 H19B 108.241 no . . .
H19A C19 H19B 107.368 no . . .
C19 C20 H20A 108.923 no . . .
C19 C20 H20B 108.924 no . . .
C21 C20 H20A 108.928 no . . .
C21 C20 H20B 108.927 no . . .
H20A C20 H20B 107.758 no . . .
C20 C21 H21A 108.596 no . . .
C20 C21 H21B 108.599 no . . .
C22 C21 H21A 108.601 no . . .
C22 C21 H21B 108.600 no . . .
H21A C21 H21B 107.560 no . . .
C21 C22 H22A 108.416 no . . .
C21 C22 H22B 108.415 no . . .
C23 C22 H22A 108.409 no . . .
C23 C22 H22B 108.407 no . . .
H22A C22 H22B 107.467 no . . .
C22 C23 H23A 108.852 no . . .
C22 C23 H23B 108.849 no . . .
C24 C23 H23A 108.851 no . . .
C24 C23 H23B 108.853 no . . .
H23A C23 H23B 107.699 no . . .
C23 C24 H24A 109.227 no . . .
C23 C24 H24B 109.235 no . . .
C25 C24 H24A 109.232 no . . .
C25 C24 H24B 109.226 no . . .
H24A C24 H24B 107.911 no . . .
C24 C25 H25A 108.521 no . . .
C24 C25 H25B 108.520 no . . .
C26 C25 H25A 108.514 no . . .
C26 C25 H25B 108.517 no . . .
H25A C25 H25B 107.517 no . . .
N2 C26 H26A 109.776 no . . .
N2 C26 H26B 109.775 no . . .
C25 C26 H26A 109.771 no . . .
C25 C26 H26B 109.771 no . . .
H26A C26 H26B 108.225 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Pt1 N1 C13 14.6(3) no . . . .
O1 Pt1 N1 C15 -162.74(19) no . . . .
N1 Pt1 O1 C2 -14.2(2) no . . . .
O1 Pt1 N2 C14 -178.2(3) no . . . .
O1 Pt1 N2 C26 5.5(2) no . . . .
N2 Pt1 O1 C2 165.7(2) no . . . .
O2 Pt1 N1 C13 -164.4(3) no . . . .
O2 Pt1 N1 C15 18.28(19) no . . . .
N1 Pt1 O2 C8 -176.2(3) no . . . .
O2 Pt1 N2 C14 0.8(3) no . . . .
O2 Pt1 N2 C26 -175.54(19) no . . . .
N2 Pt1 O2 C8 3.9(3) no . . . .
Pt1 O1 C2 C1 5.7(5) no . . . .
Pt1 O1 C2 C3 -175.71(18) no . . . .
Pt1 O2 C8 C7 -5.8(5) no . . . .
Pt1 O2 C8 C9 173.18(19) no . . . .
Pt1 N1 C13 C1 -7.3(5) no . . . .
Pt1 N1 C15 C16 67.5(3) no . . . .
C13 N1 C15 C16 -110.0(4) no . . . .
C15 N1 C13 C1 170.1(3) no . . . .
Pt1 N2 C14 C7 -4.1(6) no . . . .
Pt1 N2 C26 C25 73.6(4) no . . . .
C14 N2 C26 C25 -103.0(4) no . . . .
C26 N2 C14 C7 172.4(3) no . . . .
C2 C1 C6 C5 -1.9(6) no . . . .
C6 C1 C2 O1 -177.8(4) no . . . .
C6 C1 C2 C3 3.7(5) no . . . .
C2 C1 C13 N1 -6.8(6) no . . . .
C13 C1 C2 O1 7.8(6) no . . . .
C13 C1 C2 C3 -170.8(3) no . . . .
C6 C1 C13 N1 178.7(4) no . . . .
C13 C1 C6 C5 172.9(3) no . . . .
O1 C2 C3 C4 178.2(3) no . . . .
C1 C2 C3 C4 -3.2(5) no . . . .
C2 C3 C4 F1 -179.0(3) no . . . .
C2 C3 C4 C5 0.8(6) no . . . .
F1 C4 C5 C6 -179.1(3) no . . . .
C3 C4 C5 C6 1.0(6) no . . . .
C4 C5 C6 C1 -0.5(6) no . . . .
C8 C7 C12 C11 -0.5(6) no . . . .
C12 C7 C8 O2 179.0(4) no . . . .
C12 C7 C8 C9 0.0(5) no . . . .
C8 C7 C14 N2 3.1(6) no . . . .
C14 C7 C8 O2 2.4(6) no . . . .
C14 C7 C8 C9 -176.6(3) no . . . .
C12 C7 C14 N2 -173.6(4) no . . . .
C14 C7 C12 C11 176.4(4) no . . . .
O2 C8 C9 C10 -178.5(3) no . . . .
C7 C8 C9 C10 0.5(6) no . . . .
C8 C9 C10 F2 179.5(4) no . . . .
C8 C9 C10 C11 -0.6(6) no . . . .
F2 C10 C11 C12 -180.0(4) no . . . .
C9 C10 C11 C12 0.1(7) no . . . .
C10 C11 C12 C7 0.4(7) no . . . .
N1 C15 C16 C17 63.2(4) no . . . .
C15 C16 C17 C18 -176.5(3) no . . . .
C16 C17 C18 C19 63.0(5) no . . . .
C17 C18 C19 C20 64.1(5) no . . . .
C18 C19 C20 C21 -166.3(3) no . . . .
C19 C20 C21 C22 -175.6(3) no . . . .
C20 C21 C22 C23 -160.6(3) no . . . .
C21 C22 C23 C24 62.1(5) no . . . .
C22 C23 C24 C25 59.1(5) no . . . .
C23 C24 C25 C26 -178.1(3) no . . . .
C24 C25 C26 N2 65.6(4) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 C1 3.329(4) no . .
Pt1 C7 3.327(4) no . .
Pt1 C16 3.520(4) no . .
Pt1 C25 3.563(4) no . .
F1 C6 3.593(5) no . .
O1 C4 3.575(5) no . .
O1 C13 2.963(5) no . .
O1 C25 3.028(5) no . .
O1 C26 2.781(5) no . .
O2 C10 3.572(5) no . .
O2 C14 2.972(5) no . .
O2 C15 2.773(5) no . .
O2 C16 3.116(5) no . .
N1 C2 3.016(5) no . .
N1 C17 3.045(5) no . .
N2 C8 3.040(5) no . .
N2 C24 3.054(6) no . .
C1 C4 2.755(6) no . .
C2 C5 2.829(6) no . .
C3 C6 2.766(6) no . .
C7 C10 2.752(6) no . .
C8 C11 2.836(6) no . .
C9 C12 2.762(6) no . .
C13 C16 3.361(6) no . .
C13 C17 3.462(6) no . .
C14 C24 3.358(6) no . .
C14 C25 3.281(6) no . .
C16 C19 3.112(6) no . .
C17 C20 3.173(6) no . .
C21 C24 3.139(6) no . .
C22 C25 3.048(6) no . .
F1 C11 3.579(5) no . 7_666
F2 F2 2.952(4) no . 2_755
F2 C13 3.444(5) no . 4_564
O1 C14 3.446(5) no . 7_666
N2 N2 3.540(5) no . 7_666
C3 C12 3.303(6) no . 7_666
C4 C12 3.538(6) no . 7_666
C11 F1 3.579(5) no . 7_666
C12 C3 3.303(6) no . 7_666
C12 C4 3.538(6) no . 7_666
C13 F2 3.444(5) no . 4_565
C14 O1 3.446(5) no . 7_666
Pt1 H15A 3.1510 no . .
Pt1 H16B 3.0663 no . .
Pt1 H25B 3.1047 no . .
Pt1 H26A 3.1148 no . .
F1 H3 2.5129 no . .
F1 H5 2.5750 no . .
F2 H9 2.4877 no . .
F2 H11 2.5821 no . .
O1 H3 2.5158 no . .
O1 H25A 3.4607 no . .
O1 H25B 2.4299 no . .
O1 H26A 2.3589 no . .
O2 H9 2.5144 no . .
O2 H15A 2.3180 no . .
O2 H16A 3.5827 no . .
O2 H16B 2.5555 no . .
N1 H16A 3.3180 no . .
N1 H16B 2.6583 no . .
N1 H17A 3.4033 no . .
N1 H17B 2.6876 no . .
N2 H24A 3.4217 no . .
N2 H24B 2.7168 no . .
N2 H25A 3.3062 no . .
N2 H25B 2.6149 no . .
C1 H3 3.2969 no . .
C1 H5 3.2845 no . .
C2 H6 3.2654 no . .
C2 H13 3.3199 no . .
C2 H25B 3.4706 no . .
C2 H26A 3.4237 no . .
C3 H5 3.2889 no . .
C4 H6 3.2072 no . .
C5 H3 3.2848 no . .
C6 H13 2.5253 no . .
C7 H9 3.2858 no . .
C7 H11 3.2928 no . .
C7 H24B 3.5983 no . .
C8 H12 3.2912 no . .
C8 H14 3.3387 no . .
C8 H15A 3.4303 no . .
C8 H16B 3.3946 no . .
C9 H11 3.2792 no . .
C10 H12 3.2135 no . .
C11 H9 3.2727 no . .
C12 H14 2.5094 no . .
C13 H6 2.5478 no . .
C13 H15A 3.0462 no . .
C13 H15B 2.4129 no . .
C13 H17A 3.5644 no . .
C13 H17B 2.9222 no . .
C14 H12 2.5408 no . .
C14 H24A 3.4858 no . .
C14 H24B 2.8080 no . .
C14 H26A 3.0863 no . .
C14 H26B 2.4336 no . .
C15 H13 2.4279 no . .
C15 H17A 2.7706 no . .
C15 H17B 2.7204 no . .
C16 H13 3.4830 no . .
C16 H18A 3.3747 no . .
C16 H18B 2.7266 no . .
C16 H19B 2.7596 no . .
C16 H20B 3.4530 no . .
C17 H13 3.4998 no . .
C17 H15A 3.3918 no . .
C17 H15B 2.7516 no . .
C17 H19A 3.3953 no . .
C17 H19B 2.7394 no . .
C17 H20B 2.7729 no . .
C18 H16A 2.7451 no . .
C18 H16B 2.6940 no . .
C18 H20A 2.8717 no . .
C18 H20B 2.6839 no . .
C19 H16A 3.4475 no . .
C19 H16B 2.7329 no . .
C19 H17A 3.4014 no . .
C19 H17B 2.7533 no . .
C19 H21A 2.7301 no . .
C19 H21B 2.6679 no . .
C20 H16B 3.3866 no . .
C20 H17B 2.8485 no . .
C20 H18A 2.7673 no . .
C20 H18B 3.3975 no . .
C20 H22A 2.8723 no . .
C20 H22B 2.6072 no . .
C21 H19A 2.7933 no . .
C21 H19B 2.5985 no . .
C21 H23A 2.7656 no . .
C21 H23B 3.3934 no . .
C21 H24B 2.8383 no . .
C21 H25B 3.2202 no . .
C22 H20A 2.7078 no . .
C22 H20B 2.7689 no . .
C22 H24A 3.4018 no . .
C22 H24B 2.7832 no . .
C22 H25A 3.3384 no . .
C22 H25B 2.6616 no . .
C23 H21A 2.6335 no . .
C23 H21B 2.8964 no . .
C23 H25A 2.7160 no . .
C23 H25B 2.6872 no . .
C24 H14 3.2859 no . .
C24 H21A 2.6978 no . .
C24 H22A 3.3996 no . .
C24 H22B 2.7490 no . .
C24 H26A 3.3915 no . .
C24 H26B 2.7391 no . .
C25 H14 3.3512 no . .
C25 H21A 3.3271 no . .
C25 H22B 2.6982 no . .
C25 H23A 3.3731 no . .
C25 H23B 2.7446 no . .
C26 H14 2.4201 no . .
C26 H24A 2.7693 no . .
C26 H24B 2.7419 no . .
H3 H25B 3.5571 no . .
H3 H26A 3.3438 no . .
H5 H6 2.3186 no . .
H6 H13 2.2893 no . .
H9 H15A 3.2980 no . .
H11 H12 2.3260 no . .
H12 H14 2.2690 no . .
H13 H15A 3.1458 no . .
H13 H15B 2.0817 no . .
H13 H17A 3.3365 no . .
H13 H17B 3.1229 no . .
H14 H24A 3.1382 no . .
H14 H24B 2.8874 no . .
H14 H26A 3.2027 no . .
H14 H26B 2.0970 no . .
H15A H16A 2.3408 no . .
H15A H16B 2.3848 no . .
H15B H16A 2.3935 no . .
H15B H16B 2.8721 no . .
H15B H17A 2.5989 no . .
H15B H17B 2.9828 no . .
H16A H17A 2.3405 no . .
H16A H17B 2.8506 no . .
H16A H18B 2.5600 no . .
H16A H19B 3.0430 no . .
H16B H17A 2.8503 no . .
H16B H17B 2.3813 no . .
H16B H18B 2.9544 no . .
H16B H19A 3.5878 no . .
H16B H19B 2.1448 no . .
H16B H20B 3.0823 no . .
H16B H21A 3.5523 no . .
H17A H18A 2.3338 no . .
H17A H18B 2.3825 no . .
H17B H18A 2.3843 no . .
H17B H18B 2.8691 no . .
H17B H19B 3.0113 no . .
H17B H20A 3.2855 no . .
H17B H20B 2.1936 no . .
H18A H19A 2.3804 no . .
H18A H19B 2.8610 no . .
H18A H20A 2.7132 no . .
H18A H20B 2.8956 no . .
H18B H19A 2.3125 no . .
H18B H19B 2.3751 no . .
H19A H20A 2.2768 no . .
H19A H20B 2.8356 no . .
H19A H21A 3.1576 no . .
H19A H21B 2.5871 no . .
H19B H20A 2.8341 no . .
H19B H20B 2.4355 no . .
H19B H21A 2.4470 no . .
H19B H21B 2.7587 no . .
H20A H21A 2.8485 no . .
H20A H21B 2.3844 no . .
H20A H22A 2.6958 no . .
H20A H22B 2.7485 no . .
H20B H21A 2.3339 no . .
H20B H21B 2.8483 no . .
H20B H22A 3.2584 no . .
H20B H22B 2.4809 no . .
H20B H25B 3.2674 no . .
H21A H22A 2.8328 no . .
H21A H22B 2.4780 no . .
H21A H23A 2.8357 no . .
H21A H23B 3.5660 no . .
H21A H24A 3.5678 no . .
H21A H24B 2.1423 no . .
H21A H25B 2.9255 no . .
H21B H22A 2.2572 no . .
H21B H22B 2.8323 no . .
H21B H23A 2.7550 no . .
H21B H24B 3.3147 no . .
H22A H23A 2.3618 no . .
H22A H23B 2.3180 no . .
H22A H25B 3.5472 no . .
H22B H23A 2.8550 no . .
H22B H23B 2.3574 no . .
H22B H24B 3.0724 no . .
H22B H25A 2.9049 no . .
H22B H25B 2.0971 no . .
H23A H24A 2.3753 no . .
H23A H24B 2.3812 no . .
H23A H25B 3.5872 no . .
H23B H24A 2.3773 no . .
H23B H24B 2.8825 no . .
H23B H25A 2.5553 no . .
H23B H25B 2.9954 no . .
H24A H25A 2.3514 no . .
H24A H25B 2.8525 no . .
H24A H26B 2.5847 no . .
H24B H25A 2.8527 no . .
H24B H25B 2.3738 no . .
H24B H26B 2.9858 no . .
H25A H26A 2.3206 no . .
H25A H26B 2.4017 no . .
H25B H26A 2.3884 no . .
H25B H26B 2.8646 no . .
Pt1 H26A 3.3448 no . 7_666
Pt1 H26B 3.3454 no . 7_666
F1 H11 3.2331 no . 7_666
F1 H12 3.1188 no . 4_575
F1 H14 2.7213 no . 4_575
F1 H23B 2.9888 no . 6_646
F1 H24A 3.0369 no . 4_575
F1 H25A 2.9145 no . 6_646
F1 H26B 3.3880 no . 4_575
F2 H6 2.8559 no . 4_564
F2 H13 2.5147 no . 4_564
F2 H15B 2.9877 no . 3_766
F2 H15B 3.3826 no . 4_564
F2 H17A 3.3914 no . 3_766
F2 H20A 3.0586 no . 3_776
F2 H22A 3.3764 no . 3_776
F2 H22A 3.1336 no . 4_574
O1 H14 3.3610 no . 7_666
O2 H26A 3.1826 no . 7_666
N1 H22A 3.5863 no . 1_545
N1 H23B 3.5171 no . 1_545
N2 H26A 3.3354 no . 7_666
C1 H14 3.5631 no . 7_666
C1 H17A 3.2747 no . 2_756
C1 H18A 3.4198 no . 2_756
C2 H12 3.3927 no . 7_666
C2 H14 3.3432 no . 7_666
C2 H18A 3.5880 no . 2_756
C3 H12 3.1130 no . 4_575
C3 H12 3.2095 no . 7_666
C4 H11 3.5347 no . 7_666
C4 H12 3.2921 no . 4_575
C4 H12 3.2497 no . 7_666
C4 H18B 3.3809 no . 2_756
C4 H25A 3.4176 no . 6_646
C5 H3 3.0940 no . 6_646
C5 H12 3.5045 no . 7_666
C5 H18B 2.9547 no . 2_756
C5 H24A 3.3964 no . 4_575
C5 H25A 3.0867 no . 6_646
C6 H3 3.1119 no . 6_646
C6 H17A 3.1039 no . 2_756
C6 H18A 3.5165 no . 2_756
C6 H18B 3.0684 no . 2_756
C7 H19A 2.8654 no . 3_776
C7 H26A 3.3840 no . 7_666
C8 H19A 3.0254 no . 3_776
C8 H21B 3.4514 no . 3_776
C8 H26A 3.3315 no . 7_666
C9 H6 2.9588 no . 4_564
C9 H15B 3.4477 no . 3_766
C9 H16A 3.4304 no . 3_766
C9 H19A 3.2320 no . 3_776
C9 H20A 3.4181 no . 3_776
C9 H21B 3.0264 no . 3_776
C10 H6 2.7814 no . 4_564
C10 H13 3.3606 no . 4_564
C10 H19A 3.2800 no . 3_776
C10 H20A 2.9439 no . 3_776
C10 H21B 3.5410 no . 3_776
C11 H6 3.4441 no . 4_564
C11 H18A 3.5616 no . 3_776
C11 H19A 3.1789 no . 3_776
C11 H20A 3.2507 no . 3_776
C11 H22B 3.2147 no . 4_574
C12 H3 3.4195 no . 7_666
C12 H18A 3.5965 no . 3_776
C12 H19A 2.9479 no . 3_776
C13 H17A 3.1049 no . 2_756
C14 H19A 3.5284 no . 3_776
C14 H26A 3.3522 no . 7_666
C15 H9 3.1662 no . 3_766
C15 H22A 3.0010 no . 1_545
C15 H23A 3.3692 no . 1_545
C16 H9 3.2363 no . 3_766
C16 H21B 3.5694 no . 3_776
C17 H17A 3.3943 no . 2_756
C17 H17B 3.2718 no . 2_756
C19 H21A 3.3026 no . 3_776
C21 H19B 3.1524 no . 3_776
C22 H11 3.1045 no . 4_575
C22 H15A 3.4412 no . 1_565
C22 H15B 3.2924 no . 1_565
C23 H15A 3.2017 no . 1_565
C23 H26B 3.2307 no . 7_676
C24 H5 3.5393 no . 4_574
C24 H24A 3.3495 no . 7_676
C24 H25A 3.3257 no . 7_676
C25 H5 3.2243 no . 6_656
C25 H24A 3.1235 no . 7_676
C26 H5 3.5701 no . 6_656
C26 H23B 3.3775 no . 7_676
H3 C5 3.0940 no . 6_656
H3 C6 3.1119 no . 6_656
H3 C12 3.4195 no . 7_666
H3 H5 3.0392 no . 6_656
H3 H6 3.0569 no . 6_656
H3 H12 2.8010 no . 4_575
H3 H12 3.5839 no . 7_666
H5 C24 3.5393 no . 4_575
H5 C25 3.2243 no . 6_646
H5 C26 3.5701 no . 6_646
H5 H3 3.0392 no . 6_646
H5 H18B 3.1488 no . 2_756
H5 H23A 3.4256 no . 4_575
H5 H24A 2.7626 no . 4_575
H5 H25A 2.3619 no . 6_646
H5 H25B 3.5178 no . 6_646
H5 H26A 3.1368 no . 6_646
H6 F2 2.8559 no . 4_565
H6 C9 2.9588 no . 4_565
H6 C10 2.7814 no . 4_565
H6 C11 3.4441 no . 4_565
H6 H3 3.0569 no . 6_646
H6 H9 3.0638 no . 4_565
H6 H16A 3.5930 no . 2_756
H6 H17A 2.8891 no . 2_756
H6 H18B 3.3110 no . 2_756
H9 C15 3.1662 no . 3_766
H9 C16 3.2363 no . 3_766
H9 H6 3.0638 no . 4_564
H9 H15A 3.1469 no . 3_766
H9 H15B 2.6840 no . 3_766
H9 H16A 2.5644 no . 3_766
H9 H17A 3.5388 no . 3_766
H9 H21B 2.9093 no . 3_776
H9 H22A 3.4052 no . 3_776
H11 F1 3.2331 no . 7_666
H11 C4 3.5347 no . 7_666
H11 C22 3.1045 no . 4_574
H11 H18A 3.5223 no . 3_776
H11 H20A 3.4695 no . 3_776
H11 H22A 3.0623 no . 4_574
H11 H22B 2.2951 no . 4_574
H11 H25B 3.4442 no . 4_574
H12 F1 3.1188 no . 4_574
H12 C2 3.3927 no . 7_666
H12 C3 3.1130 no . 4_574
H12 C3 3.2095 no . 7_666
H12 C4 3.2921 no . 4_574
H12 C4 3.2497 no . 7_666
H12 C5 3.5045 no . 7_666
H12 H3 2.8010 no . 4_574
H12 H3 3.5839 no . 7_666
H12 H18A 3.5724 no . 3_776
H12 H19A 3.4132 no . 3_776
H13 F2 2.5147 no . 4_565
H13 C10 3.3606 no . 4_565
H13 H17A 2.7692 no . 2_756
H13 H22A 3.0734 no . 1_545
H14 F1 2.7213 no . 4_574
H14 O1 3.3610 no . 7_666
H14 C1 3.5631 no . 7_666
H14 C2 3.3432 no . 7_666
H15A C22 3.4412 no . 1_545
H15A C23 3.2017 no . 1_545
H15A H9 3.1469 no . 3_766
H15A H16A 3.5049 no . 3_766
H15A H22A 2.8503 no . 1_545
H15A H23A 2.5941 no . 1_545
H15A H23B 3.1870 no . 1_545
H15B F2 2.9877 no . 3_766
H15B F2 3.3826 no . 4_565
H15B C9 3.4477 no . 3_766
H15B C22 3.2924 no . 1_545
H15B H9 2.6840 no . 3_766
H15B H22A 2.3784 no . 1_545
H15B H23A 3.4347 no . 1_545
H15B H23B 3.5937 no . 1_545
H16A C9 3.4304 no . 3_766
H16A H6 3.5930 no . 2_756
H16A H9 2.5644 no . 3_766
H16A H15A 3.5049 no . 3_766
H16A H21B 3.3007 no . 3_776
H16A H23A 3.1674 no . 3_776
H16B H21B 2.8987 no . 3_776
H17A F2 3.3914 no . 3_766
H17A C1 3.2747 no . 2_756
H17A C6 3.1039 no . 2_756
H17A C13 3.1049 no . 2_756
H17A C17 3.3943 no . 2_756
H17A H6 2.8891 no . 2_756
H17A H9 3.5388 no . 3_766
H17A H13 2.7692 no . 2_756
H17A H17A 2.9744 no . 2_756
H17A H17B 2.8712 no . 2_756
H17B C17 3.2718 no . 2_756
H17B H17A 2.8712 no . 2_756
H17B H17B 2.8974 no . 2_756
H17B H18A 3.1639 no . 2_756
H18A C1 3.4198 no . 2_756
H18A C2 3.5880 no . 2_756
H18A C6 3.5165 no . 2_756
H18A C11 3.5616 no . 3_776
H18A C12 3.5965 no . 3_776
H18A H11 3.5223 no . 3_776
H18A H12 3.5724 no . 3_776
H18A H17B 3.1639 no . 2_756
H18A H20B 3.4401 no . 2_756
H18B C4 3.3809 no . 2_756
H18B C5 2.9547 no . 2_756
H18B C6 3.0684 no . 2_756
H18B H5 3.1488 no . 2_756
H18B H6 3.3110 no . 2_756
H18B H23A 3.5635 no . 3_776
H18B H24B 3.0821 no . 3_776
H19A C7 2.8654 no . 3_776
H19A C8 3.0254 no . 3_776
H19A C9 3.2320 no . 3_776
H19A C10 3.2800 no . 3_776
H19A C11 3.1789 no . 3_776
H19A C12 2.9479 no . 3_776
H19A C14 3.5284 no . 3_776
H19A H12 3.4132 no . 3_776
H19A H21A 3.1372 no . 3_776
H19A H24B 3.2477 no . 3_776
H19B C21 3.1524 no . 3_776
H19B H19B 2.9063 no . 3_776
H19B H21A 2.5937 no . 3_776
H19B H21B 2.8154 no . 3_776
H19B H24B 3.4687 no . 3_776
H20A F2 3.0586 no . 3_776
H20A C9 3.4181 no . 3_776
H20A C10 2.9439 no . 3_776
H20A C11 3.2507 no . 3_776
H20A H11 3.4695 no . 3_776
H20A H20A 3.2617 no . 2_756
H20B H18A 3.4401 no . 2_756
H21A C19 3.3026 no . 3_776
H21A H19A 3.1372 no . 3_776
H21A H19B 2.5937 no . 3_776
H21B C8 3.4514 no . 3_776
H21B C9 3.0264 no . 3_776
H21B C10 3.5410 no . 3_776
H21B C16 3.5694 no . 3_776
H21B H9 2.9093 no . 3_776
H21B H16A 3.3007 no . 3_776
H21B H16B 2.8987 no . 3_776
H21B H19B 2.8154 no . 3_776
H22A F2 3.3764 no . 3_776
H22A F2 3.1336 no . 4_575
H22A N1 3.5863 no . 1_565
H22A C15 3.0010 no . 1_565
H22A H9 3.4052 no . 3_776
H22A H11 3.0623 no . 4_575
H22A H13 3.0734 no . 1_565
H22A H15A 2.8503 no . 1_565
H22A H15B 2.3784 no . 1_565
H22B C11 3.2147 no . 4_575
H22B H11 2.2951 no . 4_575
H23A C15 3.3692 no . 1_565
H23A H5 3.4256 no . 4_574
H23A H15A 2.5941 no . 1_565
H23A H15B 3.4347 no . 1_565
H23A H16A 3.1674 no . 3_776
H23A H18B 3.5635 no . 3_776
H23A H26B 3.2780 no . 7_676
H23B F1 2.9888 no . 6_656
H23B N1 3.5171 no . 1_565
H23B C26 3.3775 no . 7_676
H23B H15A 3.1870 no . 1_565
H23B H15B 3.5937 no . 1_565
H23B H24A 3.2590 no . 7_676
H23B H25A 3.5801 no . 7_676
H23B H26B 2.4755 no . 7_676
H24A F1 3.0369 no . 4_574
H24A C5 3.3964 no . 4_574
H24A C24 3.3495 no . 7_676
H24A C25 3.1235 no . 7_676
H24A H5 2.7626 no . 4_574
H24A H23B 3.2590 no . 7_676
H24A H24A 2.8576 no . 7_676
H24A H25A 2.3897 no . 7_676
H24A H26B 3.2300 no . 7_676
H24B H18B 3.0821 no . 3_776
H24B H19A 3.2477 no . 3_776
H24B H19B 3.4687 no . 3_776
H25A F1 2.9145 no . 6_656
H25A C4 3.4176 no . 6_656
H25A C5 3.0867 no . 6_656
H25A C24 3.3257 no . 7_676
H25A H5 2.3619 no . 6_656
H25A H23B 3.5801 no . 7_676
H25A H24A 2.3897 no . 7_676
H25B H5 3.5178 no . 6_656
H25B H11 3.4442 no . 4_575
H26A Pt1 3.3448 no . 7_666
H26A O2 3.1826 no . 7_666
H26A N2 3.3354 no . 7_666
H26A C7 3.3840 no . 7_666
H26A C8 3.3315 no . 7_666
H26A C14 3.3522 no . 7_666
H26A H5 3.1368 no . 6_656
H26B Pt1 3.3454 no . 7_666
H26B F1 3.3880 no . 4_574
H26B C23 3.2307 no . 7_676
H26B H23A 3.2780 no . 7_676
H26B H23B 2.4755 no . 7_676
H26B H24A 3.2300 no . 7_676

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985142'
#######################################################################
#
#                 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_3f

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C26 H32 Br2 N2 O2 Pt'
_chemical_formula_moiety         'C26 H32 Br2 N2 O2 Pt'
_chemical_formula_weight         759.45
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.6479(8)
_cell_length_b                   11.7560(9)
_cell_length_c                   20.8759(15)
_cell_angle_alpha                92.207(2)
_cell_angle_beta                 93.4814(18)
_cell_angle_gamma                98.670(2)
_cell_volume                     2575.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    17532
_cell_measurement_theta_min      3.04
_cell_measurement_theta_max      27.40
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1464.00
_exptl_absorpt_coefficient_mu    8.564
_exptl_absorpt_correction_type   none

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            51925
_diffrn_reflns_av_R_equivalents  0.1715
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             11709
_reflns_number_gt                7101
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0693
_refine_ls_wR_factor_ref         0.1805
_refine_ls_number_restraints     15
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         11709
_refine_ls_number_parameters     595
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0679P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.520
_refine_diff_density_min         -2.580
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Br Br -0.2901 2.4595
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.7033 8.3905
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.14095(4) 1.16410(4) 0.57265(2) 0.03055(15) Uani 1.0 2 d . . .
Pt2 Pt 0.38710(4) 0.82892(4) 0.91409(2) 0.03004(15) Uani 1.0 2 d . . .
Br1 Br 0.27167(14) 1.31638(14) 0.25668(7) 0.0532(4) Uani 1.0 2 d . . .
Br2 Br 0.01278(14) 1.01486(14) 0.89070(7) 0.0529(4) Uani 1.0 2 d . . .
Br3 Br 0.44806(14) 0.90645(13) 0.58202(6) 0.0476(4) Uani 1.0 2 d . . .
Br4 Br 0.32547(14) 0.71033(13) 1.24140(6) 0.0500(4) Uani 1.0 2 d . . .
O1 O 0.2171(7) 1.2068(8) 0.4901(4) 0.040(3) Uani 1.0 2 d . . .
O2 O 0.0631(7) 1.1204(8) 0.6551(5) 0.041(3) Uani 1.0 2 d . . .
O3 O 0.3667(8) 0.8330(8) 0.8189(4) 0.041(3) Uani 1.0 2 d . . .
O4 O 0.4077(8) 0.8196(8) 1.0089(4) 0.041(3) Uani 1.0 2 d . . .
N1 N -0.0349(8) 1.1310(8) 0.5294(5) 0.029(3) Uani 1.0 2 d . . .
N2 N 0.3180(9) 1.1912(9) 0.6128(5) 0.036(3) Uani 1.0 2 d . . .
N3 N 0.5716(9) 0.8972(8) 0.9168(5) 0.027(3) Uani 1.0 2 d . . .
N4 N 0.2016(9) 0.7674(9) 0.9100(5) 0.036(3) Uani 1.0 2 d . . .
C1 C 0.0240(11) 1.1677(11) 0.4205(6) 0.032(3) Uani 1.0 2 d . . .
C2 C 0.1555(12) 1.2067(12) 0.4337(6) 0.037(4) Uani 1.0 2 d . . .
C3 C 0.2305(13) 1.2492(12) 0.3829(6) 0.041(4) Uani 1.0 2 d . . .
C4 C 0.1736(13) 1.2506(11) 0.3211(7) 0.043(4) Uani 1.0 2 d . . .
C5 C 0.0470(13) 1.2027(12) 0.3072(7) 0.048(4) Uani 1.0 2 d . . .
C6 C -0.0269(11) 1.1631(10) 0.3570(5) 0.026(3) Uani 1.0 2 d . . .
C13 C -0.0615(12) 1.1330(10) 0.4702(6) 0.030(3) Uani 1.0 2 d . . .
C7 C 0.2609(11) 1.1312(11) 0.7207(6) 0.035(3) Uani 1.0 2 d . . .
C8 C 0.1290(13) 1.1119(11) 0.7120(6) 0.036(4) Uani 1.0 2 d . . .
C9 C 0.0555(12) 1.0800(12) 0.7612(6) 0.041(4) Uani 1.0 2 d . . .
C10 C 0.1119(13) 1.0631(11) 0.8217(7) 0.041(4) Uani 1.0 2 d . . .
C11 C 0.2441(13) 1.0795(12) 0.8312(6) 0.044(4) Uani 1.0 2 d . . .
C12 C 0.3164(13) 1.1121(11) 0.7820(6) 0.042(4) Uani 1.0 2 d . . .
C14 C 0.3473(13) 1.1708(10) 0.6717(5) 0.033(3) Uani 1.0 2 d . . .
C15 C -0.1472(11) 1.1067(10) 0.5674(6) 0.029(3) Uani 1.0 2 d . . .
C16 C -0.1715(12) 1.2134(11) 0.6058(6) 0.038(4) Uani 1.0 2 d . . .
C17 C -0.1976(12) 1.3159(11) 0.5659(6) 0.040(4) Uani 1.0 2 d . . .
C18 C -0.1992(10) 1.4245(10) 0.6052(6) 0.029(3) Uani 1.0 2 d . . .
C19 C -0.0677(11) 1.4710(11) 0.6404(6) 0.038(3) Uani 1.0 2 d . . .
C20 C 0.0392(12) 1.5110(12) 0.5980(6) 0.041(4) Uani 1.0 2 d . . .
C21 C 0.1713(12) 1.5317(13) 0.6328(7) 0.048(4) Uani 1.0 2 d . . .
C22 C 0.2772(12) 1.5748(10) 0.5896(5) 0.033(3) Uani 1.0 2 d . . .
C23 C 0.4093(13) 1.5705(12) 0.6198(7) 0.049(4) Uani 1.0 2 d . . .
C24 C 0.4357(11) 1.4475(11) 0.6303(6) 0.037(3) Uani 1.0 2 d . . .
C25 C 0.4291(12) 1.3717(11) 0.5694(6) 0.041(4) Uani 1.0 2 d . . .
C26 C 0.4273(11) 1.2449(11) 0.5785(6) 0.036(4) Uani 1.0 2 d . . .
C27 C 0.5740(11) 0.9320(10) 0.8020(5) 0.026(3) Uani 1.0 2 d . . .
C28 C 0.4536(11) 0.8786(11) 0.7792(6) 0.029(3) Uani 1.0 2 d . . .
C29 C 0.4129(12) 0.8674(11) 0.7146(6) 0.034(3) Uani 1.0 2 d . . .
C30 C 0.4997(13) 0.9175(11) 0.6719(6) 0.040(4) Uani 1.0 2 d . . .
C31 C 0.6219(12) 0.9710(11) 0.6903(6) 0.038(4) Uani 1.0 2 d . . .
C32 C 0.6542(13) 0.9762(12) 0.7539(7) 0.045(4) Uani 1.0 2 d . . .
C39 C 0.6241(13) 0.9382(10) 0.8669(6) 0.039(4) Uani 1.0 2 d . . .
C33 C 0.1889(11) 0.7462(11) 1.0272(6) 0.030(3) Uani 1.0 2 d . . .
C34 C 0.3161(12) 0.7812(11) 1.0486(6) 0.033(3) Uani 1.0 2 d . . .
C35 C 0.3589(12) 0.7738(11) 1.1124(6) 0.037(4) Uani 1.0 2 d . . .
C36 C 0.2712(12) 0.7331(12) 1.1551(6) 0.039(4) Uani 1.0 2 d . . .
C37 C 0.1428(13) 0.7044(12) 1.1378(6) 0.042(4) Uani 1.0 2 d . . .
C38 C 0.1050(12) 0.7107(12) 1.0756(6) 0.044(4) Uani 1.0 2 d . . .
C40 C 0.1409(12) 0.7379(11) 0.9606(6) 0.036(3) Uani 1.0 2 d . . .
C41 C 0.6545(12) 0.9048(12) 0.9786(6) 0.041(4) Uani 1.0 2 d . . .
C42 C 0.6873(11) 0.7856(11) 0.9906(6) 0.036(3) Uani 1.0 2 d . . .
C43 C 0.7614(11) 0.7352(11) 0.9375(6) 0.037(4) Uani 1.0 2 d . . .
C44 C 0.7717(12) 0.6090(11) 0.9457(7) 0.043(4) Uani 1.0 2 d . . .
C45 C 0.6434(13) 0.5307(11) 0.9408(7) 0.045(4) Uani 1.0 2 d . . .
C46 C 0.5667(12) 0.5250(12) 0.8762(6) 0.044(4) Uani 1.0 2 d . . .
C47 C 0.4298(13) 0.4641(12) 0.8797(6) 0.047(4) Uani 1.0 2 d . . .
C48 C 0.3505(12) 0.4494(13) 0.8146(6) 0.045(4) Uani 1.0 2 d . . .
C49 C 0.2106(13) 0.4208(11) 0.8198(7) 0.047(4) Uani 1.0 2 d . . .
C50 C 0.1506(13) 0.5180(12) 0.8525(7) 0.052(4) Uani 1.0 2 d . . .
C51 C 0.1636(13) 0.6282(13) 0.8148(7) 0.050(4) Uani 1.0 2 d . . .
C52 C 0.1258(12) 0.7325(11) 0.8482(6) 0.036(3) Uani 1.0 2 d . . .
H3 H 0.3170 1.2758 0.3910 0.0495 Uiso 1.0 2 calc R . .
H5 H 0.0120 1.1970 0.2651 0.0577 Uiso 1.0 2 calc R . .
H6 H -0.1122 1.1330 0.3477 0.0307 Uiso 1.0 2 calc R . .
H13 H -0.1465 1.1094 0.4564 0.0359 Uiso 1.0 2 calc R . .
H9 H -0.0327 1.0693 0.7546 0.0491 Uiso 1.0 2 calc R . .
H11 H 0.2825 1.0682 0.8712 0.0523 Uiso 1.0 2 calc R . .
H12 H 0.4046 1.1222 0.7886 0.0502 Uiso 1.0 2 calc R . .
H14 H 0.4337 1.1826 0.6844 0.0396 Uiso 1.0 2 calc R . .
H15A H -0.1345 1.0467 0.5967 0.0353 Uiso 1.0 2 calc R . .
H15B H -0.2214 1.0784 0.5387 0.0353 Uiso 1.0 2 calc R . .
H16A H -0.0981 1.2388 0.6355 0.0452 Uiso 1.0 2 calc R . .
H16B H -0.2439 1.1915 0.6312 0.0452 Uiso 1.0 2 calc R . .
H17A H -0.1328 1.3299 0.5353 0.0475 Uiso 1.0 2 calc R . .
H17B H -0.2792 1.2953 0.5418 0.0475 Uiso 1.0 2 calc R . .
H18A H -0.2624 1.4103 0.6367 0.0352 Uiso 1.0 2 calc R . .
H18B H -0.2241 1.4826 0.5774 0.0352 Uiso 1.0 2 calc R . .
H19A H -0.0780 1.5350 0.6694 0.0458 Uiso 1.0 2 calc R . .
H19B H -0.0421 1.4108 0.6666 0.0458 Uiso 1.0 2 calc R . .
H20A H 0.0232 1.5819 0.5791 0.0496 Uiso 1.0 2 calc R . .
H20B H 0.0383 1.4536 0.5633 0.0496 Uiso 1.0 2 calc R . .
H21A H 0.1886 1.4603 0.6508 0.0580 Uiso 1.0 2 calc R . .
H21B H 0.1720 1.5877 0.6682 0.0580 Uiso 1.0 2 calc R . .
H22A H 0.2651 1.5284 0.5496 0.0398 Uiso 1.0 2 calc R . .
H22B H 0.2708 1.6536 0.5794 0.0398 Uiso 1.0 2 calc R . .
H23A H 0.4198 1.6135 0.6608 0.0589 Uiso 1.0 2 calc R . .
H23B H 0.4718 1.6078 0.5923 0.0589 Uiso 1.0 2 calc R . .
H24A H 0.5197 1.4518 0.6518 0.0440 Uiso 1.0 2 calc R . .
H24B H 0.3745 1.4112 0.6587 0.0440 Uiso 1.0 2 calc R . .
H25A H 0.3530 1.3812 0.5434 0.0491 Uiso 1.0 2 calc R . .
H25B H 0.5017 1.3993 0.5452 0.0491 Uiso 1.0 2 calc R . .
H26A H 0.4254 1.2054 0.5367 0.0435 Uiso 1.0 2 calc R . .
H26B H 0.5055 1.2343 0.6023 0.0435 Uiso 1.0 2 calc R . .
H29 H 0.3327 0.8289 0.7004 0.0412 Uiso 1.0 2 calc R . .
H31 H 0.6782 1.0015 0.6607 0.0457 Uiso 1.0 2 calc R . .
H32 H 0.7360 1.0118 0.7674 0.0545 Uiso 1.0 2 calc R . .
H39 H 0.7066 0.9775 0.8744 0.0471 Uiso 1.0 2 calc R . .
H35 H 0.4443 0.7956 1.1259 0.0449 Uiso 1.0 2 calc R . .
H37 H 0.0847 0.6815 1.1681 0.0502 Uiso 1.0 2 calc R . .
H38 H 0.0187 0.6906 1.0634 0.0533 Uiso 1.0 2 calc R . .
H40 H 0.0553 0.7074 0.9528 0.0436 Uiso 1.0 2 calc R . .
H41A H 0.6096 0.9312 1.0139 0.0495 Uiso 1.0 2 calc R . .
H41B H 0.7317 0.9591 0.9751 0.0495 Uiso 1.0 2 calc R . .
H42A H 0.6089 0.7332 0.9948 0.0435 Uiso 1.0 2 calc R . .
H42B H 0.7377 0.7891 1.0311 0.0435 Uiso 1.0 2 calc R . .
H43A H 0.7188 0.7433 0.8959 0.0443 Uiso 1.0 2 calc R . .
H43B H 0.8464 0.7791 0.9383 0.0443 Uiso 1.0 2 calc R . .
H44A H 0.8146 0.6013 0.9873 0.0512 Uiso 1.0 2 calc R . .
H44B H 0.8238 0.5837 0.9130 0.0512 Uiso 1.0 2 calc R . .
H45A H 0.5921 0.5564 0.9738 0.0537 Uiso 1.0 2 calc R . .
H45B H 0.6577 0.4533 0.9503 0.0537 Uiso 1.0 2 calc R . .
H46A H 0.6085 0.4842 0.8444 0.0527 Uiso 1.0 2 calc R . .
H46B H 0.5652 0.6026 0.8623 0.0527 Uiso 1.0 2 calc R . .
H47A H 0.3874 0.5076 0.9098 0.0565 Uiso 1.0 2 calc R . .
H47B H 0.4321 0.3886 0.8965 0.0565 Uiso 1.0 2 calc R . .
H48A H 0.3677 0.5203 0.7922 0.0542 Uiso 1.0 2 calc R . .
H48B H 0.3784 0.3888 0.7886 0.0542 Uiso 1.0 2 calc R . .
H49A H 0.1936 0.3521 0.8441 0.0563 Uiso 1.0 2 calc R . .
H49B H 0.1697 0.4032 0.7771 0.0563 Uiso 1.0 2 calc R . .
H50A H 0.0610 0.4908 0.8569 0.0625 Uiso 1.0 2 calc R . .
H50B H 0.1913 0.5358 0.8953 0.0625 Uiso 1.0 2 calc R . .
H51A H 0.2515 0.6471 0.8042 0.0598 Uiso 1.0 2 calc R . .
H51B H 0.1119 0.6121 0.7746 0.0598 Uiso 1.0 2 calc R . .
H52A H 0.1363 0.7964 0.8200 0.0426 Uiso 1.0 2 calc R . .
H52B H 0.0363 0.7162 0.8566 0.0426 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt1 O1 1.997(9) yes . .
Pt1 O2 2.006(9) yes . .
Pt1 N1 2.005(9) yes . .
Pt1 N2 1.991(9) yes . .
Pt2 O3 1.989(8) yes . .
Pt2 O4 1.987(9) yes . .
Pt2 N3 2.004(9) yes . .
Pt2 N4 1.994(10) yes . .
Br1 C4 1.873(14) yes . .
Br2 C10 1.891(14) yes . .
Br3 C30 1.916(13) yes . .
Br4 C36 1.899(13) yes . .
O1 C2 1.313(14) yes . .
O2 C8 1.358(16) yes . .
O3 C28 1.345(14) yes . .
O4 C34 1.356(15) yes . .
N1 C13 1.252(15) yes . .
N1 C15 1.473(15) yes . .
N2 C14 1.290(15) yes . .
N2 C26 1.477(15) yes . .
N3 C39 1.288(16) yes . .
N3 C41 1.511(15) yes . .
N4 C40 1.303(16) yes . .
N4 C52 1.488(15) yes . .
C1 C2 1.413(17) yes . .
C1 C6 1.399(16) yes . .
C1 C13 1.452(17) yes . .
C2 C3 1.427(18) yes . .
C3 C4 1.392(19) yes . .
C4 C5 1.389(18) yes . .
C5 C6 1.394(18) yes . .
C7 C8 1.387(18) yes . .
C7 C12 1.417(18) yes . .
C7 C14 1.460(17) yes . .
C8 C9 1.359(18) yes . .
C9 C10 1.399(18) yes . .
C10 C11 1.392(19) yes . .
C11 C12 1.354(19) yes . .
C15 C16 1.526(17) yes . .
C16 C17 1.540(19) yes . .
C17 C18 1.493(17) yes . .
C18 C19 1.554(15) yes . .
C19 C20 1.514(17) yes . .
C20 C21 1.524(17) yes . .
C21 C22 1.527(18) yes . .
C22 C23 1.515(18) yes . .
C23 C24 1.535(19) yes . .
C24 C25 1.516(18) yes . .
C25 C26 1.509(19) yes . .
C27 C28 1.388(15) yes . .
C27 C32 1.421(18) yes . .
C27 C39 1.419(17) yes . .
C28 C29 1.385(16) yes . .
C29 C30 1.405(18) yes . .
C30 C31 1.383(17) yes . .
C31 C32 1.347(18) yes . .
C33 C34 1.396(16) yes . .
C33 C38 1.422(18) yes . .
C33 C40 1.445(17) yes . .
C34 C35 1.392(17) yes . .
C35 C36 1.376(18) yes . .
C36 C37 1.380(18) yes . .
C37 C38 1.345(18) yes . .
C41 C42 1.52(2) yes . .
C42 C43 1.548(18) yes . .
C43 C44 1.520(18) yes . .
C44 C45 1.524(17) yes . .
C45 C46 1.528(18) yes . .
C46 C47 1.531(18) yes . .
C47 C48 1.547(17) yes . .
C48 C49 1.488(18) yes . .
C49 C50 1.55(2) yes . .
C50 C51 1.54(2) yes . .
C51 C52 1.507(19) yes . .
C3 H3 0.930 no . .
C5 H5 0.930 no . .
C6 H6 0.930 no . .
C13 H13 0.930 no . .
C9 H9 0.930 no . .
C11 H11 0.930 no . .
C12 H12 0.930 no . .
C14 H14 0.930 no . .
C15 H15A 0.970 no . .
C15 H15B 0.970 no . .
C16 H16A 0.970 no . .
C16 H16B 0.970 no . .
C17 H17A 0.970 no . .
C17 H17B 0.970 no . .
C18 H18A 0.970 no . .
C18 H18B 0.970 no . .
C19 H19A 0.970 no . .
C19 H19B 0.970 no . .
C20 H20A 0.970 no . .
C20 H20B 0.970 no . .
C21 H21A 0.970 no . .
C21 H21B 0.970 no . .
C22 H22A 0.970 no . .
C22 H22B 0.970 no . .
C23 H23A 0.970 no . .
C23 H23B 0.970 no . .
C24 H24A 0.970 no . .
C24 H24B 0.970 no . .
C25 H25A 0.970 no . .
C25 H25B 0.970 no . .
C26 H26A 0.970 no . .
C26 H26B 0.970 no . .
C29 H29 0.930 no . .
C31 H31 0.930 no . .
C32 H32 0.930 no . .
C39 H39 0.930 no . .
C35 H35 0.930 no . .
C37 H37 0.930 no . .
C38 H38 0.930 no . .
C40 H40 0.930 no . .
C41 H41A 0.970 no . .
C41 H41B 0.970 no . .
C42 H42A 0.970 no . .
C42 H42B 0.970 no . .
C43 H43A 0.970 no . .
C43 H43B 0.970 no . .
C44 H44A 0.970 no . .
C44 H44B 0.970 no . .
C45 H45A 0.970 no . .
C45 H45B 0.970 no . .
C46 H46A 0.970 no . .
C46 H46B 0.970 no . .
C47 H47A 0.970 no . .
C47 H47B 0.970 no . .
C48 H48A 0.970 no . .
C48 H48B 0.970 no . .
C49 H49A 0.970 no . .
C49 H49B 0.970 no . .
C50 H50A 0.970 no . .
C50 H50B 0.970 no . .
C51 H51A 0.970 no . .
C51 H51B 0.970 no . .
C52 H52A 0.970 no . .
C52 H52B 0.970 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O1 Pt1 O2 179.5(3) yes . . .
O1 Pt1 N1 91.8(4) yes . . .
O1 Pt1 N2 86.8(4) yes . . .
O2 Pt1 N1 87.7(4) yes . . .
O2 Pt1 N2 93.7(4) yes . . .
N1 Pt1 N2 177.3(4) yes . . .
O3 Pt2 O4 178.2(4) yes . . .
O3 Pt2 N3 92.7(4) yes . . .
O3 Pt2 N4 86.2(4) yes . . .
O4 Pt2 N3 87.7(4) yes . . .
O4 Pt2 N4 93.5(4) yes . . .
N3 Pt2 N4 177.5(4) yes . . .
Pt1 O1 C2 126.5(7) yes . . .
Pt1 O2 C8 125.3(8) yes . . .
Pt2 O3 C28 127.4(7) yes . . .
Pt2 O4 C34 126.9(7) yes . . .
Pt1 N1 C13 125.4(8) yes . . .
Pt1 N1 C15 120.7(7) yes . . .
C13 N1 C15 113.8(10) yes . . .
Pt1 N2 C14 123.9(9) yes . . .
Pt1 N2 C26 122.3(8) yes . . .
C14 N2 C26 113.7(10) yes . . .
Pt2 N3 C39 122.1(8) yes . . .
Pt2 N3 C41 120.8(7) yes . . .
C39 N3 C41 117.1(10) yes . . .
Pt2 N4 C40 123.0(8) yes . . .
Pt2 N4 C52 122.5(8) yes . . .
C40 N4 C52 113.7(10) yes . . .
C2 C1 C6 118.9(11) yes . . .
C2 C1 C13 123.0(11) yes . . .
C6 C1 C13 118.2(10) yes . . .
O1 C2 C1 125.0(11) yes . . .
O1 C2 C3 115.7(11) yes . . .
C1 C2 C3 119.2(11) yes . . .
C2 C3 C4 119.7(12) yes . . .
Br1 C4 C3 118.7(10) yes . . .
Br1 C4 C5 120.4(11) yes . . .
C3 C4 C5 120.8(13) yes . . .
C4 C5 C6 119.3(12) yes . . .
C1 C6 C5 121.6(11) yes . . .
N1 C13 C1 127.9(11) yes . . .
C8 C7 C12 117.7(12) yes . . .
C8 C7 C14 125.1(12) yes . . .
C12 C7 C14 117.2(11) yes . . .
O2 C8 C7 124.1(12) yes . . .
O2 C8 C9 114.7(11) yes . . .
C7 C8 C9 121.2(12) yes . . .
C8 C9 C10 120.3(12) yes . . .
Br2 C10 C9 121.6(10) yes . . .
Br2 C10 C11 118.9(10) yes . . .
C9 C10 C11 119.5(12) yes . . .
C10 C11 C12 119.6(12) yes . . .
C7 C12 C11 121.6(12) yes . . .
N2 C14 C7 127.6(12) yes . . .
N1 C15 C16 112.1(9) yes . . .
C15 C16 C17 115.7(10) yes . . .
C16 C17 C18 113.9(10) yes . . .
C17 C18 C19 112.5(10) yes . . .
C18 C19 C20 116.1(10) yes . . .
C19 C20 C21 114.4(10) yes . . .
C20 C21 C22 113.5(11) yes . . .
C21 C22 C23 113.2(10) yes . . .
C22 C23 C24 113.4(10) yes . . .
C23 C24 C25 114.7(11) yes . . .
C24 C25 C26 116.0(11) yes . . .
N2 C26 C25 113.7(11) yes . . .
C28 C27 C32 114.9(10) yes . . .
C28 C27 C39 125.9(11) yes . . .
C32 C27 C39 119.1(11) yes . . .
O3 C28 C27 121.9(10) yes . . .
O3 C28 C29 114.6(10) yes . . .
C27 C28 C29 123.5(11) yes . . .
C28 C29 C30 116.2(11) yes . . .
Br3 C30 C29 118.2(9) yes . . .
Br3 C30 C31 117.7(10) yes . . .
C29 C30 C31 124.1(12) yes . . .
C30 C31 C32 115.6(12) yes . . .
C27 C32 C31 125.7(12) yes . . .
N3 C39 C27 129.2(11) yes . . .
C34 C33 C38 115.5(11) yes . . .
C34 C33 C40 124.8(11) yes . . .
C38 C33 C40 119.6(10) yes . . .
O4 C34 C33 123.0(11) yes . . .
O4 C34 C35 115.1(10) yes . . .
C33 C34 C35 121.9(11) yes . . .
C34 C35 C36 118.1(11) yes . . .
Br4 C36 C35 120.1(10) yes . . .
Br4 C36 C37 117.1(10) yes . . .
C35 C36 C37 122.8(12) yes . . .
C36 C37 C38 117.5(12) yes . . .
C33 C38 C37 124.0(12) yes . . .
N4 C40 C33 128.6(11) yes . . .
N3 C41 C42 108.1(10) yes . . .
C41 C42 C43 114.7(10) yes . . .
C42 C43 C44 112.5(11) yes . . .
C43 C44 C45 113.5(11) yes . . .
C44 C45 C46 116.0(11) yes . . .
C45 C46 C47 112.2(11) yes . . .
C46 C47 C48 114.2(11) yes . . .
C47 C48 C49 114.4(11) yes . . .
C48 C49 C50 114.0(11) yes . . .
C49 C50 C51 112.8(12) yes . . .
C50 C51 C52 116.0(11) yes . . .
N4 C52 C51 113.1(11) yes . . .
C2 C3 H3 120.138 no . . .
C4 C3 H3 120.131 no . . .
C4 C5 H5 120.377 no . . .
C6 C5 H5 120.365 no . . .
C1 C6 H6 119.177 no . . .
C5 C6 H6 119.177 no . . .
N1 C13 H13 116.054 no . . .
C1 C13 H13 116.065 no . . .
C8 C9 H9 119.824 no . . .
C10 C9 H9 119.829 no . . .
C10 C11 H11 120.184 no . . .
C12 C11 H11 120.183 no . . .
C7 C12 H12 119.210 no . . .
C11 C12 H12 119.186 no . . .
N2 C14 H14 116.181 no . . .
C7 C14 H14 116.186 no . . .
N1 C15 H15A 109.201 no . . .
N1 C15 H15B 109.191 no . . .
C16 C15 H15A 109.212 no . . .
C16 C15 H15B 109.201 no . . .
H15A C15 H15B 107.893 no . . .
C15 C16 H16A 108.357 no . . .
C15 C16 H16B 108.363 no . . .
C17 C16 H16A 108.367 no . . .
C17 C16 H16B 108.366 no . . .
H16A C16 H16B 107.434 no . . .
C16 C17 H17A 108.766 no . . .
C16 C17 H17B 108.760 no . . .
C18 C17 H17A 108.763 no . . .
C18 C17 H17B 108.766 no . . .
H17A C17 H17B 107.667 no . . .
C17 C18 H18A 109.105 no . . .
C17 C18 H18B 109.097 no . . .
C19 C18 H18A 109.100 no . . .
C19 C18 H18B 109.101 no . . .
H18A C18 H18B 107.843 no . . .
C18 C19 H19A 108.257 no . . .
C18 C19 H19B 108.259 no . . .
C20 C19 H19A 108.254 no . . .
C20 C19 H19B 108.259 no . . .
H19A C19 H19B 107.382 no . . .
C19 C20 H20A 108.670 no . . .
C19 C20 H20B 108.667 no . . .
C21 C20 H20A 108.674 no . . .
C21 C20 H20B 108.667 no . . .
H20A C20 H20B 107.599 no . . .
C20 C21 H21A 108.868 no . . .
C20 C21 H21B 108.869 no . . .
C22 C21 H21A 108.879 no . . .
C22 C21 H21B 108.874 no . . .
H21A C21 H21B 107.716 no . . .
C21 C22 H22A 108.928 no . . .
C21 C22 H22B 108.927 no . . .
C23 C22 H22A 108.923 no . . .
C23 C22 H22B 108.927 no . . .
H22A C22 H22B 107.758 no . . .
C22 C23 H23A 108.904 no . . .
C22 C23 H23B 108.902 no . . .
C24 C23 H23A 108.902 no . . .
C24 C23 H23B 108.903 no . . .
H23A C23 H23B 107.726 no . . .
C23 C24 H24A 108.603 no . . .
C23 C24 H24B 108.604 no . . .
C25 C24 H24A 108.595 no . . .
C25 C24 H24B 108.594 no . . .
H24A C24 H24B 107.569 no . . .
C24 C25 H25A 108.285 no . . .
C24 C25 H25B 108.288 no . . .
C26 C25 H25A 108.293 no . . .
C26 C25 H25B 108.289 no . . .
H25A C25 H25B 107.401 no . . .
N2 C26 H26A 108.822 no . . .
N2 C26 H26B 108.828 no . . .
C25 C26 H26A 108.808 no . . .
C25 C26 H26B 108.823 no . . .
H26A C26 H26B 107.683 no . . .
C28 C29 H29 121.881 no . . .
C30 C29 H29 121.871 no . . .
C30 C31 H31 122.190 no . . .
C32 C31 H31 122.191 no . . .
C27 C32 H32 117.166 no . . .
C31 C32 H32 117.182 no . . .
N3 C39 H39 115.391 no . . .
C27 C39 H39 115.400 no . . .
C34 C35 H35 120.942 no . . .
C36 C35 H35 120.935 no . . .
C36 C37 H37 121.226 no . . .
C38 C37 H37 121.236 no . . .
C33 C38 H38 118.012 no . . .
C37 C38 H38 118.036 no . . .
N4 C40 H40 115.683 no . . .
C33 C40 H40 115.683 no . . .
N3 C41 H41A 110.077 no . . .
N3 C41 H41B 110.074 no . . .
C42 C41 H41A 110.065 no . . .
C42 C41 H41B 110.077 no . . .
H41A C41 H41B 108.405 no . . .
C41 C42 H42A 108.592 no . . .
C41 C42 H42B 108.595 no . . .
C43 C42 H42A 108.599 no . . .
C43 C42 H42B 108.600 no . . .
H42A C42 H42B 107.564 no . . .
C42 C43 H43A 109.109 no . . .
C42 C43 H43B 109.105 no . . .
C44 C43 H43A 109.088 no . . .
C44 C43 H43B 109.094 no . . .
H43A C43 H43B 107.836 no . . .
C43 C44 H44A 108.856 no . . .
C43 C44 H44B 108.872 no . . .
C45 C44 H44A 108.857 no . . .
C45 C44 H44B 108.863 no . . .
H44A C44 H44B 107.705 no . . .
C44 C45 H45A 108.286 no . . .
C44 C45 H45B 108.288 no . . .
C46 C45 H45A 108.285 no . . .
C46 C45 H45B 108.286 no . . .
H45A C45 H45B 107.395 no . . .
C45 C46 H46A 109.175 no . . .
C45 C46 H46B 109.174 no . . .
C47 C46 H46A 109.178 no . . .
C47 C46 H46B 109.174 no . . .
H46A C46 H46B 107.889 no . . .
C46 C47 H47A 108.697 no . . .
C46 C47 H47B 108.694 no . . .
C48 C47 H47A 108.699 no . . .
C48 C47 H47B 108.696 no . . .
H47A C47 H47B 107.616 no . . .
C47 C48 H48A 108.654 no . . .
C47 C48 H48B 108.668 no . . .
C49 C48 H48A 108.664 no . . .
C49 C48 H48B 108.665 no . . .
H48A C48 H48B 107.601 no . . .
C48 C49 H49A 108.743 no . . .
C48 C49 H49B 108.740 no . . .
C50 C49 H49A 108.751 no . . .
C50 C49 H49B 108.748 no . . .
H49A C49 H49B 107.644 no . . .
C49 C50 H50A 109.027 no . . .
C49 C50 H50B 109.029 no . . .
C51 C50 H50A 109.028 no . . .
C51 C50 H50B 109.038 no . . .
H50A C50 H50B 107.806 no . . .
C50 C51 H51A 108.290 no . . .
C50 C51 H51B 108.295 no . . .
C52 C51 H51A 108.298 no . . .
C52 C51 H51B 108.296 no . . .
H51A C51 H51B 107.393 no . . .
N4 C52 H52A 108.968 no . . .
N4 C52 H52B 108.963 no . . .
C51 C52 H52A 108.981 no . . .
C51 C52 H52B 108.964 no . . .
H52A C52 H52B 107.765 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O1 Pt1 N1 C13 5.0(8) no . . . .
O1 Pt1 N1 C15 -172.1(7) no . . . .
N1 Pt1 O1 C2 -0.0(8) no . . . .
O1 Pt1 N2 C14 -174.7(9) no . . . .
O1 Pt1 N2 C26 9.8(7) no . . . .
N2 Pt1 O1 C2 177.6(8) no . . . .
O2 Pt1 N1 C13 -174.8(8) no . . . .
O2 Pt1 N1 C15 8.1(7) no . . . .
N1 Pt1 O2 C8 174.6(7) no . . . .
O2 Pt1 N2 C14 5.1(9) no . . . .
O2 Pt1 N2 C26 -170.4(7) no . . . .
N2 Pt1 O2 C8 -3.0(7) no . . . .
O3 Pt2 N3 C39 9.2(8) no . . . .
O3 Pt2 N3 C41 -172.2(7) no . . . .
N3 Pt2 O3 C28 -5.1(8) no . . . .
O3 Pt2 N4 C40 178.0(9) no . . . .
O3 Pt2 N4 C52 8.7(7) no . . . .
N4 Pt2 O3 C28 172.6(8) no . . . .
O4 Pt2 N3 C39 -172.6(8) no . . . .
O4 Pt2 N3 C41 6.1(7) no . . . .
N3 Pt2 O4 C34 178.3(8) no . . . .
O4 Pt2 N4 C40 -0.2(8) no . . . .
O4 Pt2 N4 C52 -169.6(7) no . . . .
N4 Pt2 O4 C34 0.5(8) no . . . .
Pt1 O1 C2 C1 -5.0(18) no . . . .
Pt1 O1 C2 C3 175.4(7) no . . . .
Pt1 O2 C8 C7 -0.9(16) no . . . .
Pt1 O2 C8 C9 -179.5(6) no . . . .
Pt2 O3 C28 C27 -0.7(16) no . . . .
Pt2 O3 C28 C29 179.2(6) no . . . .
Pt2 O4 C34 C33 -2.8(17) no . . . .
Pt2 O4 C34 C35 174.2(6) no . . . .
Pt1 N1 C13 C1 -5.3(18) no . . . .
Pt1 N1 C15 C16 69.8(10) no . . . .
C13 N1 C15 C16 -107.6(11) no . . . .
C15 N1 C13 C1 171.9(10) no . . . .
Pt1 N2 C14 C7 -3.6(17) no . . . .
Pt1 N2 C26 C25 71.3(11) no . . . .
C14 N2 C26 C25 -104.6(11) no . . . .
C26 N2 C14 C7 172.3(10) no . . . .
Pt2 N3 C39 C27 -8.6(18) no . . . .
Pt2 N3 C41 C42 76.7(10) no . . . .
C39 N3 C41 C42 -104.6(11) no . . . .
C41 N3 C39 C27 172.7(11) no . . . .
Pt2 N4 C40 C33 2.4(18) no . . . .
Pt2 N4 C52 C51 67.1(11) no . . . .
C40 N4 C52 C51 -103.1(12) no . . . .
C52 N4 C40 C33 172.6(11) no . . . .
C2 C1 C6 C5 -4.1(18) no . . . .
C6 C1 C2 O1 -174.4(11) no . . . .
C6 C1 C2 C3 5.2(18) no . . . .
C2 C1 C13 N1 -1(2) no . . . .
C13 C1 C2 O1 6(2) no . . . .
C13 C1 C2 C3 -174.3(11) no . . . .
C6 C1 C13 N1 -179.9(11) no . . . .
C13 C1 C6 C5 175.4(10) no . . . .
O1 C2 C3 C4 179.0(11) no . . . .
C1 C2 C3 C4 -0.6(19) no . . . .
C2 C3 C4 Br1 175.7(11) no . . . .
C2 C3 C4 C5 -5(2) no . . . .
Br1 C4 C5 C6 -174.6(9) no . . . .
C3 C4 C5 C6 6(2) no . . . .
C4 C5 C6 C1 -1.7(19) no . . . .
C8 C7 C12 C11 -2.0(18) no . . . .
C12 C7 C8 O2 -176.1(11) no . . . .
C12 C7 C8 C9 2.4(18) no . . . .
C8 C7 C14 N2 -2(2) no . . . .
C14 C7 C8 O2 4(2) no . . . .
C14 C7 C8 C9 -177.0(11) no . . . .
C12 C7 C14 N2 178.5(11) no . . . .
C14 C7 C12 C11 177.5(10) no . . . .
O2 C8 C9 C10 177.1(10) no . . . .
C7 C8 C9 C10 -1.6(19) no . . . .
C8 C9 C10 Br2 -178.4(10) no . . . .
C8 C9 C10 C11 0.2(19) no . . . .
Br2 C10 C11 C12 178.9(8) no . . . .
C9 C10 C11 C12 0.3(19) no . . . .
C10 C11 C12 C7 0.6(19) no . . . .
N1 C15 C16 C17 60.6(12) no . . . .
C15 C16 C17 C18 -170.2(9) no . . . .
C16 C17 C18 C19 64.2(12) no . . . .
C17 C18 C19 C20 65.7(13) no . . . .
C18 C19 C20 C21 -167.7(9) no . . . .
C19 C20 C21 C22 -178.5(10) no . . . .
C20 C21 C22 C23 -167.4(10) no . . . .
C21 C22 C23 C24 65.8(14) no . . . .
C22 C23 C24 C25 61.4(13) no . . . .
C23 C24 C25 C26 -167.8(9) no . . . .
C24 C25 C26 N2 60.1(13) no . . . .
C28 C27 C32 C31 0.7(19) no . . . .
C32 C27 C28 O3 -179.6(11) no . . . .
C32 C27 C28 C29 0.5(18) no . . . .
C28 C27 C39 N3 0(3) no . . . .
C39 C27 C28 O3 5(2) no . . . .
C39 C27 C28 C29 -174.9(11) no . . . .
C32 C27 C39 N3 -174.9(12) no . . . .
C39 C27 C32 C31 176.4(11) no . . . .
O3 C28 C29 C30 177.9(10) no . . . .
C27 C28 C29 C30 -2.2(19) no . . . .
C28 C29 C30 Br3 -179.3(10) no . . . .
C28 C29 C30 C31 3.0(19) no . . . .
Br3 C30 C31 C32 -179.7(8) no . . . .
C29 C30 C31 C32 -1.9(19) no . . . .
C30 C31 C32 C27 -0(2) no . . . .
C34 C33 C38 C37 -3.3(19) no . . . .
C38 C33 C34 O4 -178.8(11) no . . . .
C38 C33 C34 C35 4.4(18) no . . . .
C34 C33 C40 N4 -5(2) no . . . .
C40 C33 C34 O4 5(2) no . . . .
C40 C33 C34 C35 -171.8(11) no . . . .
C38 C33 C40 N4 178.9(12) no . . . .
C40 C33 C38 C37 173.1(11) no . . . .
O4 C34 C35 C36 -178.6(10) no . . . .
C33 C34 C35 C36 -1.6(19) no . . . .
C34 C35 C36 Br4 175.4(10) no . . . .
C34 C35 C36 C37 -3(2) no . . . .
Br4 C36 C37 C38 -174.4(8) no . . . .
C35 C36 C37 C38 4(2) no . . . .
C36 C37 C38 C33 -1(2) no . . . .
N3 C41 C42 C43 60.6(11) no . . . .
C41 C42 C43 C44 -170.0(8) no . . . .
C42 C43 C44 C45 62.5(13) no . . . .
C43 C44 C45 C46 63.0(14) no . . . .
C44 C45 C46 C47 -168.7(10) no . . . .
C45 C46 C47 C48 -176.5(10) no . . . .
C46 C47 C48 C49 -164.0(11) no . . . .
C47 C48 C49 C50 65.9(15) no . . . .
C48 C49 C50 C51 62.8(14) no . . . .
C49 C50 C51 C52 -170.9(9) no . . . .
C50 C51 C52 N4 59.6(13) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt1 C1 3.344(12) no . .
Pt1 C7 3.331(13) no . .
Pt1 C16 3.566(13) no . .
Pt2 C27 3.311(11) no . .
Pt2 C33 3.337(12) no . .
Pt2 C51 3.587(13) no . .
O1 C4 3.597(17) no . .
O1 C13 2.962(14) no . .
O1 C25 3.093(14) no . .
O1 C26 2.783(13) no . .
O2 C10 3.590(17) no . .
O2 C14 2.991(15) no . .
O2 C15 2.786(14) no . .
O2 C16 3.016(15) no . .
O3 C30 3.571(16) no . .
O3 C39 2.932(15) no . .
O3 C51 2.979(15) no . .
O3 C52 2.772(14) no . .
O4 C36 3.578(16) no . .
O4 C40 2.961(14) no . .
O4 C41 2.787(14) no . .
O4 C42 3.107(15) no . .
N1 C2 2.996(16) no . .
N1 C17 3.078(17) no . .
N2 C8 3.048(17) no . .
N2 C24 3.083(16) no . .
N3 C28 3.050(14) no . .
N3 C43 3.002(16) no . .
N4 C34 3.059(15) no . .
N4 C50 3.082(17) no . .
C1 C4 2.807(18) no . .
C2 C5 2.814(18) no . .
C3 C6 2.787(17) no . .
C13 C16 3.288(17) no . .
C13 C17 3.416(18) no . .
C7 C10 2.785(19) no . .
C8 C11 2.772(18) no . .
C9 C12 2.751(18) no . .
C14 C24 3.408(17) no . .
C14 C25 3.302(17) no . .
C16 C19 3.105(17) no . .
C17 C20 3.163(17) no . .
C21 C24 3.124(19) no . .
C22 C25 3.108(19) no . .
C27 C30 2.775(17) no . .
C28 C31 2.795(17) no . .
C29 C32 2.753(17) no . .
C39 C42 3.294(18) no . .
C39 C43 3.326(18) no . .
C33 C36 2.778(17) no . .
C34 C37 2.780(18) no . .
C35 C38 2.748(17) no . .
C40 C50 3.383(19) no . .
C40 C51 3.297(18) no . .
C42 C45 3.091(18) no . .
C43 C46 3.152(17) no . .
C47 C50 3.16(2) no . .
C48 C51 3.11(2) no . .
Pt1 C13 3.534(12) no . 2_576
O2 C6 3.295(14) no . 2_576
O3 C11 3.360(17) no . .
O3 C12 3.510(17) no . .
O4 N3 3.590(13) no . 2_677
O4 C41 3.408(17) no . 2_677
N1 N1 3.472(14) no . 2_576
N1 C13 3.413(16) no . 2_576
N3 O4 3.590(13) no . 2_677
C3 C31 3.57(2) no . 2_676
C5 C9 3.553(18) no . 2_576
C6 O2 3.295(14) no . 2_576
C6 C8 3.479(16) no . 2_576
C13 Pt1 3.534(12) no . 2_576
C13 N1 3.413(16) no . 2_576
C8 C6 3.479(16) no . 2_576
C9 C5 3.553(18) no . 2_576
C11 O3 3.360(17) no . .
C12 O3 3.510(17) no . .
C12 C28 3.299(19) no . .
C12 C29 3.474(19) no . .
C14 C30 3.599(19) no . .
C28 C12 3.299(19) no . .
C29 C12 3.474(19) no . .
C30 C14 3.599(19) no . .
C31 C3 3.57(2) no . 2_676
C39 C35 3.373(17) no . 2_677
C35 C39 3.373(17) no . 2_677
C41 O4 3.408(17) no . 2_677
Pt1 H15A 3.1256 no . .
Pt1 H16A 3.1566 no . .
Pt1 H25A 3.2455 no . .
Pt1 H26A 3.1363 no . .
Pt2 H41A 3.1225 no . .
Pt2 H42A 3.1855 no . .
Pt2 H51A 3.1946 no . .
Pt2 H52A 3.1836 no . .
Br1 H3 2.8854 no . .
Br1 H5 2.9247 no . .
Br2 H9 2.9636 no . .
Br2 H11 2.9024 no . .
Br3 H29 2.9415 no . .
Br3 H31 2.9153 no . .
Br4 H35 2.9324 no . .
Br4 H37 2.8732 no . .
O1 H3 2.4928 no . .
O1 H25A 2.5035 no . .
O1 H25B 3.5961 no . .
O1 H26A 2.3695 no . .
O2 H9 2.4269 no . .
O2 H15A 2.3921 no . .
O2 H16A 2.3949 no . .
O2 H16B 3.5063 no . .
O3 H29 2.4754 no . .
O3 H51A 2.3388 no . .
O3 H51B 3.5133 no . .
O3 H52A 2.4273 no . .
O4 H35 2.4828 no . .
O4 H41A 2.3369 no . .
O4 H42A 2.5330 no . .
O4 H42B 3.5894 no . .
N1 H16A 2.6815 no . .
N1 H16B 3.3035 no . .
N1 H17A 2.7016 no . .
N1 H17B 3.4814 no . .
N2 H24A 3.5032 no . .
N2 H24B 2.6908 no . .
N2 H25A 2.7006 no . .
N2 H25B 3.3107 no . .
N3 H42A 2.6305 no . .
N3 H42B 3.2916 no . .
N3 H43A 2.6067 no . .
N3 H43B 3.4349 no . .
N3 H46B 3.5929 no . .
N4 H50A 3.4774 no . .
N4 H50B 2.7124 no . .
N4 H51A 2.6995 no . .
N4 H51B 3.3138 no . .
C1 H3 3.2899 no . .
C1 H5 3.2742 no . .
C2 H6 3.2582 no . .
C2 H13 3.3158 no . .
C2 H25A 3.4096 no . .
C2 H26A 3.4851 no . .
C3 H5 3.2553 no . .
C4 H6 3.2367 no . .
C5 H3 3.2541 no . .
C6 H13 2.5513 no . .
C13 H6 2.5810 no . .
C13 H15A 2.9697 no . .
C13 H15B 2.3222 no . .
C13 H17A 2.8621 no . .
C13 H17B 3.5739 no . .
C7 H9 3.2288 no . .
C7 H11 3.2585 no . .
C8 H12 3.2386 no . .
C8 H14 3.3165 no . .
C8 H15A 3.5564 no . .
C8 H16A 3.3808 no . .
C9 H11 3.2537 no . .
C10 H12 3.2121 no . .
C11 H9 3.2506 no . .
C12 H14 2.5545 no . .
C14 H12 2.5854 no . .
C14 H24A 3.5817 no . .
C14 H24B 2.8236 no . .
C14 H26A 3.0123 no . .
C14 H26B 2.3438 no . .
C15 H13 2.3185 no . .
C15 H17A 2.7179 no . .
C15 H17B 2.8489 no . .
C16 H13 3.3462 no . .
C16 H18A 2.7110 no . .
C16 H18B 3.3651 no . .
C16 H19B 2.7373 no . .
C16 H20B 3.5054 no . .
C17 H13 3.3965 no . .
C17 H15A 3.4090 no . .
C17 H15B 2.7975 no . .
C17 H19A 3.3427 no . .
C17 H19B 2.6910 no . .
C17 H20B 2.7808 no . .
C18 H16A 2.6558 no . .
C18 H16B 2.7886 no . .
C18 H20A 2.8708 no . .
C18 H20B 2.7033 no . .
C19 H16A 2.6967 no . .
C19 H16B 3.5218 no . .
C19 H17A 2.6906 no . .
C19 H17B 3.3599 no . .
C19 H21A 2.7467 no . .
C19 H21B 2.7265 no . .
C20 H16A 3.4505 no . .
C20 H17A 2.8142 no . .
C20 H18A 3.4068 no . .
C20 H18B 2.7785 no . .
C20 H22A 2.6479 no . .
C20 H22B 2.8224 no . .
C21 H19A 2.8116 no . .
C21 H19B 2.6414 no . .
C21 H23A 2.6962 no . .
C21 H23B 3.3584 no . .
C21 H24B 2.7960 no . .
C21 H25A 3.4017 no . .
C22 H20A 2.7146 no . .
C22 H20B 2.7352 no . .
C22 H24A 3.3630 no . .
C22 H24B 2.7360 no . .
C22 H25A 2.6908 no . .
C22 H25B 3.5267 no . .
C23 H21A 2.6365 no . .
C23 H21B 2.8109 no . .
C23 H25A 2.6571 no . .
C23 H25B 2.8250 no . .
C24 H14 3.3515 no . .
C24 H21A 2.7160 no . .
C24 H21B 3.5768 no . .
C24 H22A 2.7036 no . .
C24 H22B 3.3669 no . .
C24 H26A 3.3734 no . .
C24 H26B 2.7710 no . .
C25 H14 3.3389 no . .
C25 H21A 3.4237 no . .
C25 H22A 2.7475 no . .
C25 H23A 3.3799 no . .
C25 H23B 2.7625 no . .
C26 H14 2.3564 no . .
C26 H24A 2.8344 no . .
C26 H24B 2.6718 no . .
C27 H29 3.2821 no . .
C27 H31 3.3022 no . .
C27 H43A 3.4832 no . .
C28 H32 3.2023 no . .
C28 H39 3.2843 no . .
C28 H51A 3.2847 no . .
C28 H52A 3.5356 no . .
C29 H31 3.3029 no . .
C29 H51A 3.5469 no . .
C30 H32 3.1492 no . .
C31 H29 3.2977 no . .
C32 H39 2.5427 no . .
C39 H32 2.5699 no . .
C39 H41A 3.0878 no . .
C39 H41B 2.4581 no . .
C39 H43A 2.7130 no . .
C39 H43B 3.5269 no . .
C33 H35 3.2758 no . .
C33 H37 3.2827 no . .
C34 H38 3.2221 no . .
C34 H40 3.3055 no . .
C34 H41A 3.4797 no . .
C34 H42A 3.4947 no . .
C35 H37 3.2560 no . .
C36 H38 3.1684 no . .
C37 H35 3.2551 no . .
C38 H40 2.5815 no . .
C40 H38 2.6120 no . .
C40 H50A 3.5200 no . .
C40 H50B 2.8307 no . .
C40 H52A 3.0399 no . .
C40 H52B 2.3662 no . .
C41 H39 2.4325 no . .
C41 H43A 2.7084 no . .
C41 H43B 2.8433 no . .
C42 H39 3.3701 no . .
C42 H44A 2.7237 no . .
C42 H44B 3.3755 no . .
C42 H45A 2.7332 no . .
C42 H46B 3.4321 no . .
C43 H39 3.2989 no . .
C43 H41A 3.4093 no . .
C43 H41B 2.7866 no . .
C43 H45A 2.7188 no . .
C43 H45B 3.3580 no . .
C43 H46A 3.5859 no . .
C43 H46B 2.7736 no . .
C44 H42A 2.6556 no . .
C44 H42B 2.7951 no . .
C44 H46A 2.8610 no . .
C44 H46B 2.7102 no . .
C45 H42A 2.6798 no . .
C45 H42B 3.4927 no . .
C45 H43A 2.7282 no . .
C45 H43B 3.3658 no . .
C45 H47A 2.7338 no . .
C45 H47B 2.6837 no . .
C46 H42A 3.3757 no . .
C46 H43A 2.8221 no . .
C46 H44A 3.3954 no . .
C46 H44B 2.7737 no . .
C46 H48A 2.6603 no . .
C46 H48B 2.8783 no . .
C47 H45A 2.6229 no . .
C47 H45B 2.7833 no . .
C47 H49A 2.7039 no . .
C47 H49B 3.3673 no . .
C47 H50B 2.8274 no . .
C47 H51A 3.4419 no . .
C48 H46A 2.7449 no . .
C48 H46B 2.7939 no . .
C48 H50A 3.3572 no . .
C48 H50B 2.7351 no . .
C48 H51A 2.7031 no . .
C48 H51B 3.4838 no . .
C49 H47A 2.6368 no . .
C49 H47B 2.8503 no . .
C49 H51A 2.6661 no . .
C49 H51B 2.7948 no . .
C50 H40 3.3101 no . .
C50 H47A 2.7456 no . .
C50 H48A 2.6967 no . .
C50 H48B 3.3633 no . .
C50 H52A 3.3919 no . .
C50 H52B 2.7877 no . .
C51 H40 3.3207 no . .
C51 H47A 3.5048 no . .
C51 H48A 2.7328 no . .
C51 H49A 3.3852 no . .
C51 H49B 2.7415 no . .
C52 H40 2.3666 no . .
C52 H50A 2.8368 no . .
C52 H50B 2.7162 no . .
H3 H25A 3.3490 no . .
H3 H26A 3.3659 no . .
H5 H6 2.3177 no . .
H6 H13 2.3403 no . .
H13 H15A 3.0462 no . .
H13 H15B 1.9618 no . .
H13 H17A 2.9970 no . .
H13 H17B 3.2987 no . .
H9 H15A 3.3954 no . .
H9 H16A 3.3509 no . .
H11 H12 2.2747 no . .
H12 H14 2.3376 no . .
H14 H24A 3.2689 no . .
H14 H24B 2.9141 no . .
H14 H26A 3.1034 no . .
H14 H26B 1.9980 no . .
H15A H16A 2.3381 no . .
H15A H16B 2.3195 no . .
H15B H16A 2.8281 no . .
H15B H16B 2.3463 no . .
H15B H17A 2.9703 no . .
H15B H17B 2.7106 no . .
H16A H17A 2.4200 no . .
H16A H17B 2.8305 no . .
H16A H18A 2.8617 no . .
H16A H18B 3.5657 no . .
H16A H19A 3.4980 no . .
H16A H19B 2.0865 no . .
H16A H20B 3.1952 no . .
H16B H17A 2.8314 no . .
H16B H17B 2.3117 no . .
H16B H18A 2.6085 no . .
H16B H19B 3.1305 no . .
H17A H18A 2.8058 no . .
H17A H18B 2.3343 no . .
H17A H19A 3.5844 no . .
H17A H19B 2.9237 no . .
H17A H20A 3.2392 no . .
H17A H20B 2.1863 no . .
H17B H18A 2.3376 no . .
H17B H18B 2.2756 no . .
H17B H19B 3.5913 no . .
H17B H20B 3.5981 no . .
H18A H19A 2.3157 no . .
H18A H19B 2.3890 no . .
H18B H19A 2.3974 no . .
H18B H19B 2.8477 no . .
H18B H20A 2.7121 no . .
H18B H20B 2.8964 no . .
H19A H20A 2.2724 no . .
H19A H20B 2.8074 no . .
H19A H21A 3.1371 no . .
H19A H21B 2.6420 no . .
H19B H20A 2.8065 no . .
H19B H20B 2.4108 no . .
H19B H21A 2.4833 no . .
H19B H21B 2.8423 no . .
H20A H21A 2.8264 no . .
H20A H21B 2.3611 no . .
H20A H22A 2.8393 no . .
H20A H22B 2.6442 no . .
H20B H21A 2.3447 no . .
H20B H21B 2.8263 no . .
H20B H22A 2.4798 no . .
H20B H22B 3.1394 no . .
H21A H22A 2.4299 no . .
H21A H22B 2.8237 no . .
H21A H23A 2.8141 no . .
H21A H23B 3.5527 no . .
H21A H24A 3.5409 no . .
H21A H24B 2.1420 no . .
H21A H25A 3.1234 no . .
H21B H22A 2.8238 no . .
H21B H22B 2.2914 no . .
H21B H23A 2.6249 no . .
H21B H24B 3.2191 no . .
H22A H23A 2.8218 no . .
H22A H23B 2.3643 no . .
H22A H24A 3.5904 no . .
H22A H24B 2.9732 no . .
H22A H25A 2.0909 no . .
H22A H25B 3.1349 no . .
H22B H23A 2.3639 no . .
H22B H23B 2.2872 no . .
H22B H25A 3.5109 no . .
H23A H24A 2.3217 no . .
H23A H24B 2.3522 no . .
H23A H25A 3.5581 no . .
H23B H24A 2.3550 no . .
H23B H24B 2.8343 no . .
H23B H25A 2.8915 no . .
H23B H25B 2.6774 no . .
H24A H25A 2.8075 no . .
H24A H25B 2.2743 no . .
H24A H26B 2.6995 no . .
H24B H25A 2.4108 no . .
H24B H25B 2.8083 no . .
H24B H26A 3.5670 no . .
H24B H26B 2.9230 no . .
H25A H26A 2.3143 no . .
H25A H26B 2.8105 no . .
H25B H26A 2.2971 no . .
H25B H26B 2.3194 no . .
H29 H51A 3.1686 no . .
H29 H52A 3.3490 no . .
H31 H32 2.2675 no . .
H32 H39 2.3157 no . .
H39 H41A 3.1897 no . .
H39 H41B 2.1281 no . .
H39 H43A 2.8270 no . .
H39 H43B 3.2365 no . .
H35 H41A 3.3216 no . .
H35 H42A 3.4513 no . .
H37 H38 2.2649 no . .
H38 H40 2.3748 no . .
H40 H50A 3.1883 no . .
H40 H50B 2.9181 no . .
H40 H52A 3.1266 no . .
H40 H52B 2.0163 no . .
H41A H42A 2.3445 no . .
H41A H42B 2.3350 no . .
H41B H42A 2.8335 no . .
H41B H42B 2.3595 no . .
H41B H43A 2.9557 no . .
H41B H43B 2.7064 no . .
H42A H43A 2.4329 no . .
H42A H43B 2.8415 no . .
H42A H44A 2.8762 no . .
H42A H44B 3.5632 no . .
H42A H45A 2.0872 no . .
H42A H45B 3.5068 no . .
H42A H46B 3.0873 no . .
H42B H43A 2.8424 no . .
H42B H43B 2.3238 no . .
H42B H44A 2.6197 no . .
H42B H45A 3.0929 no . .
H43A H44A 2.8270 no . .
H43A H44B 2.3531 no . .
H43A H45A 2.9906 no . .
H43A H46A 3.2135 no . .
H43A H46B 2.2046 no . .
H43B H44A 2.3507 no . .
H43B H44B 2.3110 no . .
H44A H45A 2.3448 no . .
H44A H45B 2.2967 no . .
H44B H45A 2.8229 no . .
H44B H45B 2.3504 no . .
H44B H46A 2.7090 no . .
H44B H46B 2.9328 no . .
H45A H46A 2.8222 no . .
H45A H46B 2.4204 no . .
H45A H47A 2.4654 no . .
H45A H47B 2.7938 no . .
H45B H46A 2.2958 no . .
H45B H46B 2.8238 no . .
H45B H47A 3.1157 no . .
H45B H47B 2.5816 no . .
H46A H47A 2.8346 no . .
H46A H47B 2.3822 no . .
H46A H48A 2.8222 no . .
H46A H48B 2.7092 no . .
H46B H47A 2.3433 no . .
H46B H47B 2.8342 no . .
H46B H48A 2.5307 no . .
H46B H48B 3.2337 no . .
H47A H48A 2.4640 no . .
H47A H48B 2.8306 no . .
H47A H49A 2.7938 no . .
H47A H49B 3.5572 no . .
H47A H50A 3.5556 no . .
H47A H50B 2.1678 no . .
H47A H51A 3.2004 no . .
H47B H48A 2.8304 no . .
H47B H48B 2.2892 no . .
H47B H49A 2.6697 no . .
H47B H50B 3.3027 no . .
H48A H49A 2.7978 no . .
H48A H49B 2.3349 no . .
H48A H50A 3.5840 no . .
H48A H50B 2.9602 no . .
H48A H51A 2.0931 no . .
H48A H51B 3.0844 no . .
H48B H49A 2.3357 no . .
H48B H49B 2.2532 no . .
H48B H51A 3.5157 no . .
H49A H50A 2.3310 no . .
H49A H50B 2.3771 no . .
H49A H51A 3.5697 no . .
H49B H50A 2.3743 no . .
H49B H50B 2.8458 no . .
H49B H51A 2.8915 no . .
H49B H51B 2.6215 no . .
H50A H51A 2.8290 no . .
H50A H51B 2.3126 no . .
H50A H52B 2.7022 no . .
H50B H51A 2.4133 no . .
H50B H51B 2.8301 no . .
H50B H52B 2.9831 no . .
H51A H52A 2.3123 no . .
H51A H52B 2.8110 no . .
H51B H52A 2.3018 no . .
H51B H52B 2.3185 no . .
Pt1 H13 3.2587 no . 2_576
Pt2 H11 3.3123 no . .
Pt2 H41A 3.1385 no . 2_677
Br1 H19A 3.3095 no . 2_586
Br1 H23A 3.5816 no . 2_686
Br1 H43A 3.2453 no . 2_676
Br1 H46A 3.3744 no . 2_676
Br1 H46B 3.2092 no . 2_676
Br2 H39 3.2182 no . 1_455
Br2 H41B 3.5540 no . 1_455
Br2 H42B 3.5172 no . 2_677
Br2 H43B 3.2789 no . 1_455
Br2 H52A 3.3868 no . .
Br3 H3 3.5644 no . 2_676
Br3 H13 3.2380 no . 2_576
Br3 H15B 3.4114 no . 2_576
Br3 H22B 3.2682 no . 1_545
Br3 H23B 3.5711 no . 1_545
Br3 H26A 3.2209 no . 2_676
Br4 H12 3.3375 no . 2_677
Br4 H14 2.9917 no . 2_677
Br4 H16B 3.0833 no . 2_577
Br4 H18A 3.0236 no . 2_577
Br4 H24A 3.4859 no . 2_677
Br4 H32 3.4364 no . 2_677
Br4 H46A 3.0431 no . 2_667
O1 H15A 3.3966 no . 2_576
O1 H15B 3.3909 no . 2_576
O2 H6 3.0993 no . 2_576
O3 H11 3.2052 no . .
O3 H12 3.4501 no . .
O4 H41A 3.0177 no . 2_677
O4 H41B 3.2008 no . 2_677
O4 H45B 3.3338 no . 2_667
N3 H41A 3.3427 no . 2_677
C1 H15A 2.9566 no . 2_576
C1 H20A 3.0596 no . 2_586
C2 H15A 2.9934 no . 2_576
C2 H15B 3.5864 no . 2_576
C2 H20A 3.3594 no . 2_586
C3 H15A 3.5240 no . 2_576
C3 H18B 3.2415 no . 2_586
C3 H19A 3.3919 no . 2_586
C3 H23B 3.3572 no . 2_686
C3 H31 3.3497 no . 2_676
C4 H19A 2.8615 no . 2_586
C4 H31 3.5828 no . 2_676
C5 H9 3.3801 no . 2_576
C5 H19A 3.0684 no . 2_586
C5 H20A 3.5961 no . 2_586
C5 H51B 3.4008 no . 2_576
C5 H52A 3.1991 no . 2_576
C6 H15A 3.3519 no . 2_576
C6 H20A 3.2272 no . 2_586
C6 H21B 3.5530 no . 2_586
C6 H29 3.4166 no . 2_576
C13 H15A 3.4963 no . 2_576
C13 H20A 3.5162 no . 2_586
C7 H6 3.4776 no . 2_576
C7 H48B 3.3260 no . 1_565
C8 H6 3.0688 no . 2_576
C8 H49B 3.5894 no . 1_565
C9 H5 3.2452 no . 2_576
C9 H6 3.4623 no . 2_576
C9 H32 3.3873 no . 1_455
C10 H5 3.5265 no . 2_576
C10 H49A 3.3847 no . 1_565
C10 H52A 3.1839 no . .
C11 H35 3.4695 no . 2_677
C11 H41A 3.5168 no . 2_677
C11 H42B 3.1913 no . 2_677
C11 H49A 3.3311 no . 1_565
C11 H52A 3.3479 no . .
C12 H35 3.1276 no . 2_677
C12 H48B 3.2165 no . 1_565
C12 H49A 3.5185 no . 1_565
C14 H48B 3.4361 no . 1_565
C15 H31 2.9527 no . 1_455
C16 H26B 3.4812 no . 1_455
C16 H31 3.0531 no . 1_455
C17 H22A 3.1957 no . 2_586
C17 H22B 3.1329 no . 2_586
C17 H25B 3.4945 no . 1_455
C17 H26B 3.3051 no . 1_455
C18 H22A 3.3496 no . 2_586
C18 H24A 3.2595 no . 1_455
C18 H25B 3.3168 no . 1_455
C18 H26B 3.5688 no . 1_455
C19 H51B 3.5055 no . 1_565
C20 H17A 3.5232 no . 2_586
C20 H20B 3.4746 no . 2_586
C21 H49B 3.4207 no . 1_565
C21 H51B 3.2014 no . 1_565
C22 H17A 3.2664 no . 2_586
C22 H17B 3.1887 no . 2_586
C22 H18B 3.5189 no . 2_586
C23 H3 3.2144 no . 2_686
C24 H18A 3.3046 no . 1_655
C24 H48A 3.5970 no . 1_565
C24 H48B 3.4749 no . 1_565
C25 H17B 3.4369 no . 1_655
C25 H18A 3.4518 no . 1_655
C26 H17B 3.2365 no . 1_655
C27 H12 3.0882 no . .
C27 H35 3.5230 no . 2_677
C28 H12 2.9889 no . .
C29 H6 3.3816 no . 2_576
C29 H12 3.3326 no . .
C29 H23A 3.1612 no . 1_545
C30 H3 3.4801 no . 2_676
C30 H14 3.3013 no . .
C30 H23A 3.5411 no . 1_545
C31 H3 3.4703 no . 2_676
C31 H14 3.4229 no . .
C31 H15A 3.3755 no . 1_655
C31 H16B 3.1025 no . 1_655
C32 H9 3.3472 no . 1_655
C32 H12 3.4713 no . .
C39 H35 3.3182 no . 2_677
C33 H41B 3.4427 no . 2_677
C33 H45B 3.0894 no . 2_667
C34 H39 3.2544 no . 2_677
C34 H41B 3.2216 no . 2_677
C34 H45B 2.8143 no . 2_667
C35 H12 3.2176 no . 2_677
C35 H39 3.1130 no . 2_677
C35 H45B 2.9044 no . 2_667
C35 H46A 3.2588 no . 2_667
C35 H47B 3.1515 no . 2_667
C36 H32 3.3654 no . 2_677
C36 H39 3.4565 no . 2_677
C36 H45B 3.2487 no . 2_667
C36 H46A 3.0261 no . 2_667
C37 H44B 3.5847 no . 2_667
C37 H45B 3.5684 no . 2_667
C37 H49A 3.5897 no . 2_567
C37 H50A 2.9217 no . 2_567
C38 H44A 3.5409 no . 1_455
C38 H45B 3.4573 no . 2_667
C38 H50A 3.1654 no . 2_567
C40 H43B 3.2536 no . 1_455
C41 H11 3.1605 no . 2_677
C42 H11 3.2752 no . 2_677
C42 H47B 3.3646 no . 2_667
C43 H40 3.1928 no . 1_655
C43 H52B 3.4984 no . 1_655
C44 H38 3.4861 no . 1_655
C44 H40 3.0588 no . 1_655
C44 H52B 3.5687 no . 1_655
C45 H45A 3.2283 no . 2_667
C45 H47A 3.1972 no . 2_667
C47 H35 3.5151 no . 2_667
C47 H42A 3.5675 no . 2_667
C47 H45A 3.0976 no . 2_667
C48 H24B 3.2981 no . 1_545
C49 H21A 3.5762 no . 1_545
C49 H37 3.2214 no . 2_567
C50 H37 3.1589 no . 2_567
C50 H38 3.4240 no . 2_567
C51 H5 3.3962 no . 2_576
C51 H21B 3.0868 no . 1_545
C52 H5 2.9201 no . 2_576
H3 Br3 3.5644 no . 2_676
H3 C23 3.2144 no . 2_686
H3 C30 3.4801 no . 2_676
H3 C31 3.4703 no . 2_676
H3 H18B 3.2038 no . 2_586
H3 H23A 3.1771 no . 2_686
H3 H23B 2.4479 no . 2_686
H3 H24A 3.5784 no . 2_686
H3 H31 3.4025 no . 2_676
H5 C9 3.2452 no . 2_576
H5 C10 3.5265 no . 2_576
H5 C51 3.3962 no . 2_576
H5 C52 2.9201 no . 2_576
H5 H9 3.1850 no . 2_576
H5 H19A 3.3428 no . 2_586
H5 H51B 2.8919 no . 2_576
H5 H52A 2.3145 no . 2_576
H5 H52B 2.8195 no . 2_576
H6 O2 3.0993 no . 2_576
H6 C7 3.4776 no . 2_576
H6 C8 3.0688 no . 2_576
H6 C9 3.4623 no . 2_576
H6 C29 3.3816 no . 2_576
H6 H20A 3.5971 no . 2_586
H6 H21B 3.4618 no . 2_586
H6 H22B 3.5715 no . 2_586
H6 H29 2.6051 no . 2_576
H13 Pt1 3.2587 no . 2_576
H13 Br3 3.2380 no . 2_576
H13 H22B 3.3503 no . 2_586
H9 C5 3.3801 no . 2_576
H9 C32 3.3472 no . 1_455
H9 H5 3.1850 no . 2_576
H9 H31 3.5151 no . 1_455
H9 H32 2.4870 no . 1_455
H9 H37 3.4240 no . 2_577
H11 Pt2 3.3123 no . .
H11 O3 3.2052 no . .
H11 C41 3.1605 no . 2_677
H11 C42 3.2752 no . 2_677
H11 H35 3.0981 no . 2_677
H11 H41A 2.5943 no . 2_677
H11 H41B 3.2460 no . 2_677
H11 H42A 3.5918 no . 2_677
H11 H42B 2.6306 no . 2_677
H11 H52A 3.4371 no . .
H12 Br4 3.3375 no . 2_677
H12 O3 3.4501 no . .
H12 C27 3.0882 no . .
H12 C28 2.9889 no . .
H12 C29 3.3326 no . .
H12 C32 3.4713 no . .
H12 C35 3.2176 no . 2_677
H12 H35 2.4003 no . 2_677
H12 H48B 3.1887 no . 1_565
H14 Br4 2.9917 no . 2_677
H14 C30 3.3013 no . .
H14 C31 3.4229 no . .
H14 H48B 3.3374 no . 1_565
H15A O1 3.3966 no . 2_576
H15A C1 2.9566 no . 2_576
H15A C2 2.9934 no . 2_576
H15A C3 3.5240 no . 2_576
H15A C6 3.3519 no . 2_576
H15A C13 3.4963 no . 2_576
H15A C31 3.3755 no . 1_455
H15A H31 2.4717 no . 1_455
H15B Br3 3.4114 no . 2_576
H15B O1 3.3909 no . 2_576
H15B C2 3.5864 no . 2_576
H15B H31 2.9436 no . 1_455
H16A H31 3.4640 no . 1_455
H16B Br4 3.0833 no . 2_577
H16B C31 3.1025 no . 1_455
H16B H26B 2.8233 no . 1_455
H16B H31 2.3808 no . 1_455
H17A C20 3.5232 no . 2_586
H17A C22 3.2664 no . 2_586
H17A H20A 2.8813 no . 2_586
H17A H20B 3.4067 no . 2_586
H17A H22A 2.9212 no . 2_586
H17A H22B 2.7605 no . 2_586
H17B C22 3.1887 no . 2_586
H17B C25 3.4369 no . 1_455
H17B C26 3.2365 no . 1_455
H17B H22A 2.8643 no . 2_586
H17B H22B 2.6249 no . 2_586
H17B H25B 2.7964 no . 1_455
H17B H26A 3.1576 no . 1_455
H17B H26B 2.7012 no . 1_455
H18A Br4 3.0236 no . 2_577
H18A C24 3.3046 no . 1_455
H18A C25 3.4518 no . 1_455
H18A H24A 2.4773 no . 1_455
H18A H25B 3.0451 no . 1_455
H18A H26B 3.0058 no . 1_455
H18B C3 3.2415 no . 2_586
H18B C22 3.5189 no . 2_586
H18B H3 3.2038 no . 2_586
H18B H22A 2.6550 no . 2_586
H18B H22B 3.5603 no . 2_586
H18B H24A 3.2005 no . 1_455
H18B H25A 3.3697 no . 2_586
H18B H25B 2.9639 no . 1_455
H19A Br1 3.3095 no . 2_586
H19A C3 3.3919 no . 2_586
H19A C4 2.8615 no . 2_586
H19A C5 3.0684 no . 2_586
H19A H5 3.3428 no . 2_586
H19A H51B 2.9139 no . 1_565
H19B H49B 3.1405 no . 1_565
H19B H51B 3.3685 no . 1_565
H20A C1 3.0596 no . 2_586
H20A C2 3.3594 no . 2_586
H20A C5 3.5961 no . 2_586
H20A C6 3.2272 no . 2_586
H20A C13 3.5162 no . 2_586
H20A H6 3.5971 no . 2_586
H20A H17A 2.8813 no . 2_586
H20A H20B 3.0041 no . 2_586
H20B C20 3.4746 no . 2_586
H20B H17A 3.4067 no . 2_586
H20B H20A 3.0041 no . 2_586
H20B H20B 3.0111 no . 2_586
H21A C49 3.5762 no . 1_565
H21A H48A 3.4056 no . 1_565
H21A H49B 2.7581 no . 1_565
H21A H51B 3.2983 no . 1_565
H21B C6 3.5530 no . 2_586
H21B C51 3.0868 no . 1_565
H21B H6 3.4618 no . 2_586
H21B H29 3.1100 no . 1_565
H21B H48A 3.4159 no . 1_565
H21B H49B 3.2003 no . 1_565
H21B H51A 2.9398 no . 1_565
H21B H51B 2.3672 no . 1_565
H22A C17 3.1957 no . 2_586
H22A C18 3.3496 no . 2_586
H22A H17A 2.9212 no . 2_586
H22A H17B 2.8643 no . 2_586
H22A H18B 2.6550 no . 2_586
H22A H25B 3.3014 no . 2_686
H22B Br3 3.2682 no . 1_565
H22B C17 3.1329 no . 2_586
H22B H6 3.5715 no . 2_586
H22B H13 3.3503 no . 2_586
H22B H17A 2.7605 no . 2_586
H22B H17B 2.6249 no . 2_586
H22B H18B 3.5603 no . 2_586
H22B H29 3.1707 no . 1_565
H23A Br1 3.5816 no . 2_686
H23A C29 3.1612 no . 1_565
H23A C30 3.5411 no . 1_565
H23A H3 3.1771 no . 2_686
H23A H29 2.9316 no . 1_565
H23A H48A 3.0431 no . 1_565
H23B Br3 3.5711 no . 1_565
H23B C3 3.3572 no . 2_686
H23B H3 2.4479 no . 2_686
H23B H25A 3.4818 no . 2_686
H23B H25B 2.9012 no . 2_686
H24A Br4 3.4859 no . 2_677
H24A C18 3.2595 no . 1_655
H24A H3 3.5784 no . 2_686
H24A H18A 2.4773 no . 1_655
H24A H18B 3.2005 no . 1_655
H24A H48A 3.5560 no . 1_565
H24A H48B 3.3658 no . 1_565
H24B C48 3.2981 no . 1_565
H24B H48A 3.0314 no . 1_565
H24B H48B 2.7345 no . 1_565
H24B H49B 3.3892 no . 1_565
H25A H18B 3.3697 no . 2_586
H25A H23B 3.4818 no . 2_686
H25A H25B 3.4627 no . 2_686
H25B C17 3.4945 no . 1_655
H25B C18 3.3168 no . 1_655
H25B H17B 2.7964 no . 1_655
H25B H18A 3.0451 no . 1_655
H25B H18B 2.9639 no . 1_655
H25B H22A 3.3014 no . 2_686
H25B H23B 2.9012 no . 2_686
H25B H25A 3.4627 no . 2_686
H25B H25B 3.0881 no . 2_686
H26A Br3 3.2209 no . 2_676
H26A H17B 3.1576 no . 1_655
H26B C16 3.4812 no . 1_655
H26B C17 3.3051 no . 1_655
H26B C18 3.5688 no . 1_655
H26B H16B 2.8233 no . 1_655
H26B H17B 2.7012 no . 1_655
H26B H18A 3.0058 no . 1_655
H29 C6 3.4166 no . 2_576
H29 H6 2.6051 no . 2_576
H29 H21B 3.1100 no . 1_545
H29 H22B 3.1707 no . 1_545
H29 H23A 2.9316 no . 1_545
H31 C3 3.3497 no . 2_676
H31 C4 3.5828 no . 2_676
H31 C15 2.9527 no . 1_655
H31 C16 3.0531 no . 1_655
H31 H3 3.4025 no . 2_676
H31 H9 3.5151 no . 1_655
H31 H15A 2.4717 no . 1_655
H31 H15B 2.9436 no . 1_655
H31 H16A 3.4640 no . 1_655
H31 H16B 2.3808 no . 1_655
H32 Br4 3.4364 no . 2_677
H32 C9 3.3873 no . 1_655
H32 C36 3.3654 no . 2_677
H32 H9 2.4870 no . 1_655
H39 Br2 3.2182 no . 1_655
H39 C34 3.2544 no . 2_677
H39 C35 3.1130 no . 2_677
H39 C36 3.4565 no . 2_677
H39 H35 3.3151 no . 2_677
H35 C11 3.4695 no . 2_677
H35 C12 3.1276 no . 2_677
H35 C27 3.5230 no . 2_677
H35 C39 3.3182 no . 2_677
H35 C47 3.5151 no . 2_667
H35 H11 3.0981 no . 2_677
H35 H12 2.4003 no . 2_677
H35 H39 3.3151 no . 2_677
H35 H45B 3.2783 no . 2_667
H35 H46A 3.3416 no . 2_667
H35 H47B 2.7374 no . 2_667
H35 H48B 3.5464 no . 2_667
H37 C49 3.2214 no . 2_567
H37 C50 3.1589 no . 2_567
H37 H9 3.4240 no . 2_577
H37 H49A 2.9241 no . 2_567
H37 H49B 3.0478 no . 2_567
H37 H50A 2.3782 no . 2_567
H38 C44 3.4861 no . 1_455
H38 C50 3.4240 no . 2_567
H38 H42B 3.4072 no . 1_455
H38 H43B 3.3883 no . 1_455
H38 H44A 2.6680 no . 1_455
H38 H49A 3.0584 no . 2_567
H38 H50A 2.8166 no . 2_567
H38 H50B 3.3829 no . 2_567
H40 C43 3.1928 no . 1_455
H40 C44 3.0588 no . 1_455
H40 H43B 2.5010 no . 1_455
H40 H44A 2.8231 no . 1_455
H40 H44B 2.7310 no . 1_455
H41A Pt2 3.1385 no . 2_677
H41A O4 3.0177 no . 2_677
H41A N3 3.3427 no . 2_677
H41A C11 3.5168 no . 2_677
H41A H11 2.5943 no . 2_677
H41A H41A 3.0737 no . 2_677
H41B Br2 3.5540 no . 1_655
H41B O4 3.2008 no . 2_677
H41B C33 3.4427 no . 2_677
H41B C34 3.2216 no . 2_677
H41B H11 3.2460 no . 2_677
H42A C47 3.5675 no . 2_667
H42A H11 3.5918 no . 2_677
H42A H45B 3.5909 no . 2_667
H42A H47A 3.5281 no . 2_667
H42A H47B 2.7522 no . 2_667
H42B Br2 3.5172 no . 2_677
H42B C11 3.1913 no . 2_677
H42B H11 2.6306 no . 2_677
H42B H38 3.4072 no . 1_655
H42B H47B 3.0594 no . 2_667
H42B H49A 3.2476 no . 2_667
H43A Br1 3.2453 no . 2_676
H43A H52B 3.5842 no . 1_655
H43B Br2 3.2789 no . 1_655
H43B C40 3.2536 no . 1_655
H43B H38 3.3883 no . 1_655
H43B H40 2.5010 no . 1_655
H43B H52B 2.8846 no . 1_655
H44A C38 3.5409 no . 1_655
H44A H38 2.6680 no . 1_655
H44A H40 2.8231 no . 1_655
H44A H47A 3.2901 no . 2_667
H44A H49A 3.5500 no . 2_667
H44A H50B 2.9841 no . 2_667
H44B C37 3.5847 no . 2_667
H44B H40 2.7310 no . 1_655
H44B H50A 3.1678 no . 1_655
H44B H52B 2.8882 no . 1_655
H45A C45 3.2283 no . 2_667
H45A C47 3.0976 no . 2_667
H45A H45A 2.5286 no . 2_667
H45A H45B 3.1675 no . 2_667
H45A H47A 2.5785 no . 2_667
H45A H47B 2.7966 no . 2_667
H45B O4 3.3338 no . 2_667
H45B C33 3.0894 no . 2_667
H45B C34 2.8143 no . 2_667
H45B C35 2.9044 no . 2_667
H45B C36 3.2487 no . 2_667
H45B C37 3.5684 no . 2_667
H45B C38 3.4573 no . 2_667
H45B H35 3.2783 no . 2_667
H45B H42A 3.5909 no . 2_667
H45B H45A 3.1675 no . 2_667
H45B H47A 3.0171 no . 2_667
H45B H50B 3.5025 no . 2_667
H46A Br1 3.3744 no . 2_676
H46A Br4 3.0431 no . 2_667
H46A C35 3.2588 no . 2_667
H46A C36 3.0261 no . 2_667
H46A H35 3.3416 no . 2_667
H46B Br1 3.2092 no . 2_676
H47A C45 3.1972 no . 2_667
H47A H42A 3.5281 no . 2_667
H47A H44A 3.2901 no . 2_667
H47A H45A 2.5785 no . 2_667
H47A H45B 3.0171 no . 2_667
H47B C35 3.1515 no . 2_667
H47B C42 3.3646 no . 2_667
H47B H35 2.7374 no . 2_667
H47B H42A 2.7522 no . 2_667
H47B H42B 3.0594 no . 2_667
H47B H45A 2.7966 no . 2_667
H48A C24 3.5970 no . 1_545
H48A H21A 3.4056 no . 1_545
H48A H21B 3.4159 no . 1_545
H48A H23A 3.0431 no . 1_545
H48A H24A 3.5560 no . 1_545
H48A H24B 3.0314 no . 1_545
H48B C7 3.3260 no . 1_545
H48B C12 3.2165 no . 1_545
H48B C14 3.4361 no . 1_545
H48B C24 3.4749 no . 1_545
H48B H12 3.1887 no . 1_545
H48B H14 3.3374 no . 1_545
H48B H24A 3.3658 no . 1_545
H48B H24B 2.7345 no . 1_545
H48B H35 3.5464 no . 2_667
H49A C10 3.3847 no . 1_545
H49A C11 3.3311 no . 1_545
H49A C12 3.5185 no . 1_545
H49A C37 3.5897 no . 2_567
H49A H37 2.9241 no . 2_567
H49A H38 3.0584 no . 2_567
H49A H42B 3.2476 no . 2_667
H49A H44A 3.5500 no . 2_667
H49B C8 3.5894 no . 1_545
H49B C21 3.4207 no . 1_545
H49B H19B 3.1405 no . 1_545
H49B H21A 2.7581 no . 1_545
H49B H21B 3.2003 no . 1_545
H49B H24B 3.3892 no . 1_545
H49B H37 3.0478 no . 2_567
H50A C37 2.9217 no . 2_567
H50A C38 3.1654 no . 2_567
H50A H37 2.3782 no . 2_567
H50A H38 2.8166 no . 2_567
H50A H44B 3.1678 no . 1_455
H50B H38 3.3829 no . 2_567
H50B H44A 2.9841 no . 2_667
H50B H45B 3.5025 no . 2_667
H51A H21B 2.9398 no . 1_545
H51B C5 3.4008 no . 2_576
H51B C19 3.5055 no . 1_545
H51B C21 3.2014 no . 1_545
H51B H5 2.8919 no . 2_576
H51B H19A 2.9139 no . 1_545
H51B H19B 3.3685 no . 1_545
H51B H21A 3.2983 no . 1_545
H51B H21B 2.3672 no . 1_545
H52A Br2 3.3868 no . .
H52A C5 3.1991 no . 2_576
H52A C10 3.1839 no . .
H52A C11 3.3479 no . .
H52A H5 2.3145 no . 2_576
H52A H11 3.4371 no . .
H52B C43 3.4984 no . 1_455
H52B C44 3.5687 no . 1_455
H52B H5 2.8195 no . 2_576
H52B H43A 3.5842 no . 1_455
H52B H43B 2.8846 no . 1_455
H52B H44B 2.8882 no . 1_455

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_database_code_depnum_ccdc_archive 'CCDC 985143'
#######################################################################
#
#                 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_4b

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum            'C16 H14 Cl2 N2 O2 Pt '
_chemical_formula_moiety         'C16 H14 Cl2 N2 O2 Pt '
_chemical_formula_weight         532.29
_chemical_melting_point          ?

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P c a 21'
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_Int_Tables_number      29
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,+Y,1/2+Z
3 1/2+X,-Y,+Z
4 -X,-Y,1/2+Z

#------------------------------------------------------------------------------

_cell_length_a                   19.0605(12)
_cell_length_b                   10.8765(7)
_cell_length_c                   7.6109(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     1577.83(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    36284
_cell_measurement_theta_min      3.2
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    113.1

#------------------------------------------------------------------------------

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1008.00
_exptl_absorpt_coefficient_mu    9.205
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.294
_exptl_absorpt_correction_T_max  0.398

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            34894
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_theta_max         27.45
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.45
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       9

#==============================================================================

# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             3595
_reflns_number_gt                3038
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0179
_refine_ls_wR_factor_ref         0.0309
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_reflns         3707
_refine_ls_number_parameters     223
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     'w = 1/σ²(Fo²)'
_refine_ls_shift/su_max          0.0000
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.47
_refine_ls_extinction_method     
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef       2.0(4)
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

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(1) Pt 0.533030(10) 0.260450(10) 0.50499(13) 0.00992(2) Uani 1.00 1 d . . .
Cl(1) Cl 0.89707(4) 0.27574(9) 0.4824(4) 0.0195(3) Uani 1.00 1 d . . .
Cl(2) Cl 0.17147(5) 0.21058(10) 0.59224(19) 0.0181(2) Uani 1.00 1 d . . .
O(1) O 0.63374(11) 0.3110(2) 0.4973(11) 0.0159(6) Uani 1.00 1 d . . .
O(2) O 0.43265(12) 0.2075(2) 0.5074(11) 0.0159(6) Uani 1.00 1 d . . .
N(1) N 0.55249(18) 0.1005(3) 0.3746(5) 0.0133(9) Uani 1.00 1 d . . .
N(2) N 0.51293(19) 0.4200(3) 0.6245(5) 0.0134(10) Uani 1.00 1 d . . .
C(1) C 0.4935(2) 0.0193(4) 0.3234(7) 0.0234(13) Uani 1.00 1 d . . .
C(2) C 0.6149(2) 0.0641(3) 0.3307(6) 0.0157(12) Uani 1.00 1 d . . .
C(3) C 0.6810(2) 0.1241(3) 0.3650(5) 0.0099(10) Uani 1.00 1 d . . .
C(4) C 0.68715(19) 0.2414(3) 0.4476(5) 0.0176(11) Uani 1.00 1 d . . .
C(5) C 0.75521(19) 0.2877(3) 0.4767(11) 0.0121(12) Uani 1.00 1 d . . .
C(6) C 0.8137(2) 0.2201(3) 0.4280(5) 0.0171(10) Uani 1.00 1 d . . .
C(7) C 0.8086(2) 0.1070(4) 0.3450(6) 0.0166(11) Uani 1.00 1 d . . .
C(8) C 0.7419(2) 0.0615(3) 0.3130(5) 0.0176(12) Uani 1.00 1 d . . .
C(9) C 0.5700(2) 0.5073(3) 0.6603(6) 0.0199(13) Uani 1.00 1 d . . .
C(10) C 0.4508(2) 0.4521(3) 0.6787(6) 0.0140(12) Uani 1.00 1 d . . .
C(11) C 0.3864(2) 0.3863(3) 0.6586(6) 0.0149(12) Uani 1.00 1 d . . .
C(12) C 0.3794(2) 0.2716(4) 0.5718(5) 0.0126(10) Uani 1.00 1 d . . .
C(13) C 0.3120(2) 0.2182(4) 0.5549(5) 0.0154(11) Uani 1.00 1 d . . .
C(14) C 0.2539(2) 0.2789(3) 0.6216(5) 0.0158(10) Uani 1.00 1 d . . .
C(15) C 0.2591(3) 0.3904(3) 0.7089(6) 0.0160(14) Uani 1.00 1 d . . .
C(16) C 0.3244(2) 0.4427(3) 0.7246(6) 0.0141(11) Uani 1.00 1 d . . .
H(1) H 0.4844 -0.0377 0.4153 0.028 Uiso 1.00 1 c R . .
H(2) H 0.5054 -0.0242 0.2193 0.028 Uiso 1.00 1 c R . .
H(3) H 0.4528 0.0675 0.3028 0.028 Uiso 1.00 1 c R . .
H(4) H 0.6174 -0.0114 0.2683 0.019 Uiso 1.00 1 c R . .
H(5) H 0.7610 0.3660 0.5300 0.015 Uiso 1.00 1 c R . .
H(6) H 0.8492 0.0623 0.3114 0.020 Uiso 1.00 1 c R . .
H(7) H 0.7372 -0.0149 0.2537 0.021 Uiso 1.00 1 c R . .
H(8) H 0.5894 0.4909 0.7729 0.024 Uiso 1.00 1 c R . .
H(9) H 0.5522 0.5888 0.6577 0.024 Uiso 1.00 1 c R . .
H(10) H 0.6055 0.4986 0.5733 0.024 Uiso 1.00 1 c R . .
H(11) H 0.4479 0.5285 0.7389 0.017 Uiso 1.00 1 c R . .
H(12) H 0.3066 0.1410 0.4980 0.018 Uiso 1.00 1 c R . .
H(13) H 0.2187 0.4295 0.7564 0.019 Uiso 1.00 1 c R . .
H(14) H 0.3283 0.5199 0.7821 0.017 Uiso 1.00 1 c R . .



#==============================================================================

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_solution    SIR92
_computing_structure_refinement  CRYSTALS
_computing_publication_material  'CrystalStructure 3.8'
_computing_molecular_graphics    ?

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Pt(1) O(1) 1.998(2) yes . .
Pt(1) O(2) 1.998(2) yes . .
Pt(1) N(1) 2.037(3) yes . .
Pt(1) N(2) 1.996(3) yes . .
Cl(1) C(6) 1.750(4) yes . .
Cl(2) C(14) 1.752(4) yes . .
O(1) C(4) 1.324(5) yes . .
O(2) C(12) 1.326(5) yes . .
N(1) C(1) 1.483(6) yes . .
N(1) C(2) 1.297(5) yes . .
N(2) C(9) 1.470(5) yes . .
N(2) C(10) 1.302(5) yes . .
C(2) C(3) 1.443(5) yes . .
C(3) C(4) 1.426(5) yes . .
C(3) C(8) 1.403(6) yes . .
C(4) C(5) 1.409(5) yes . .
C(5) C(6) 1.386(5) yes . .
C(6) C(7) 1.387(6) yes . .
C(7) C(8) 1.386(6) yes . .
C(10) C(11) 1.429(5) yes . .
C(11) C(12) 1.418(6) yes . .
C(11) C(16) 1.423(6) yes . .
C(12) C(13) 1.416(5) yes . .
C(13) C(14) 1.385(5) yes . .
C(14) C(15) 1.387(5) yes . .
C(15) C(16) 1.374(7) yes . .
C(1) H(1) 0.950 no . .
C(1) H(2) 0.950 no . .
C(1) H(3) 0.950 no . .
C(2) H(4) 0.950 no . .
C(5) H(5) 0.950 no . .
C(7) H(6) 0.950 no . .
C(8) H(7) 0.950 no . .
C(9) H(8) 0.950 no . .
C(9) H(9) 0.950 no . .
C(9) H(10) 0.950 no . .
C(10) H(11) 0.950 no . .
C(13) H(12) 0.950 no . .
C(15) H(13) 0.950 no . .
C(16) H(14) 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O(1) Pt(1) O(2) 178.6(2) yes . . .
O(1) Pt(1) N(1) 92.61(16) yes . . .
O(1) Pt(1) N(2) 87.63(16) yes . . .
O(2) Pt(1) N(1) 86.14(17) yes . . .
O(2) Pt(1) N(2) 93.59(17) yes . . .
N(1) Pt(1) N(2) 177.92(16) yes . . .
Pt(1) O(1) C(4) 126.2(2) yes . . .
Pt(1) O(2) C(12) 125.8(3) yes . . .
Pt(1) N(1) C(1) 119.9(2) yes . . .
Pt(1) N(1) C(2) 123.6(2) yes . . .
C(1) N(1) C(2) 116.5(3) yes . . .
Pt(1) N(2) C(9) 120.2(2) yes . . .
Pt(1) N(2) C(10) 123.5(2) yes . . .
C(9) N(2) C(10) 116.2(3) yes . . .
N(1) C(2) C(3) 128.0(3) yes . . .
C(2) C(3) C(4) 123.8(3) yes . . .
C(2) C(3) C(8) 116.9(3) yes . . .
C(4) C(3) C(8) 119.3(3) yes . . .
O(1) C(4) C(3) 125.0(3) yes . . .
O(1) C(4) C(5) 117.3(3) yes . . .
C(3) C(4) C(5) 117.7(3) yes . . .
C(4) C(5) C(6) 120.6(4) yes . . .
Cl(1) C(6) C(5) 118.9(3) yes . . .
Cl(1) C(6) C(7) 118.6(3) yes . . .
C(5) C(6) C(7) 122.4(3) yes . . .
C(6) C(7) C(8) 117.5(3) yes . . .
C(3) C(8) C(7) 122.4(3) yes . . .
N(2) C(10) C(11) 127.8(3) yes . . .
C(10) C(11) C(12) 124.9(3) yes . . .
C(10) C(11) C(16) 117.3(3) yes . . .
C(12) C(11) C(16) 117.8(3) yes . . .
O(2) C(12) C(11) 124.3(3) yes . . .
O(2) C(12) C(13) 116.5(3) yes . . .
C(11) C(12) C(13) 119.3(3) yes . . .
C(12) C(13) C(14) 119.7(3) yes . . .
Cl(2) C(14) C(13) 117.9(3) yes . . .
Cl(2) C(14) C(15) 119.7(3) yes . . .
C(13) C(14) C(15) 122.4(4) yes . . .
C(14) C(15) C(16) 117.9(4) yes . . .
C(11) C(16) C(15) 122.9(4) yes . . .
N(1) C(1) H(1) 109.4 no . . .
N(1) C(1) H(2) 109.5 no . . .
N(1) C(1) H(3) 109.5 no . . .
H(1) C(1) H(2) 109.5 no . . .
H(1) C(1) H(3) 109.5 no . . .
H(2) C(1) H(3) 109.5 no . . .
N(1) C(2) H(4) 116.0 no . . .
C(3) C(2) H(4) 116.0 no . . .
C(4) C(5) H(5) 119.7 no . . .
C(6) C(5) H(5) 119.7 no . . .
C(6) C(7) H(6) 121.2 no . . .
C(8) C(7) H(6) 121.3 no . . .
C(3) C(8) H(7) 118.8 no . . .
C(7) C(8) H(7) 118.8 no . . .
N(2) C(9) H(8) 109.5 no . . .
N(2) C(9) H(9) 109.5 no . . .
N(2) C(9) H(10) 109.5 no . . .
H(8) C(9) H(9) 109.5 no . . .
H(8) C(9) H(10) 109.5 no . . .
H(9) C(9) H(10) 109.5 no . . .
N(2) C(10) H(11) 116.1 no . . .
C(11) C(10) H(11) 116.1 no . . .
C(12) C(13) H(12) 120.1 no . . .
C(14) C(13) H(12) 120.1 no . . .
C(14) C(15) H(13) 121.1 no . . .
C(16) C(15) H(13) 121.1 no . . .
C(11) C(16) H(14) 118.5 no . . .
C(15) C(16) H(14) 118.5 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O(1) Pt(1) O(2) C(12) -151(9) ? . . . .
O(2) Pt(1) O(1) C(4) -36(10) ? . . . .
O(1) Pt(1) N(1) C(1) -175.1(4) ? . . . .
O(1) Pt(1) N(1) C(2) 4.3(4) ? . . . .
N(1) Pt(1) O(1) C(4) -9.9(6) ? . . . .
O(1) Pt(1) N(2) C(9) 0.2(4) ? . . . .
O(1) Pt(1) N(2) C(10) -178.1(4) ? . . . .
N(2) Pt(1) O(1) C(4) 172.2(6) ? . . . .
O(2) Pt(1) N(1) C(1) 4.3(4) ? . . . .
O(2) Pt(1) N(1) C(2) -176.3(4) ? . . . .
N(1) Pt(1) O(2) C(12) -177.4(6) ? . . . .
O(2) Pt(1) N(2) C(9) -179.1(4) ? . . . .
O(2) Pt(1) N(2) C(10) 2.6(4) ? . . . .
N(2) Pt(1) O(2) C(12) 0.5(6) ? . . . .
N(1) Pt(1) N(2) C(9) -97(3) ? . . . .
N(1) Pt(1) N(2) C(10) 85(4) ? . . . .
N(2) Pt(1) N(1) C(1) -78(4) ? . . . .
N(2) Pt(1) N(1) C(2) 101(3) ? . . . .
Pt(1) O(1) C(4) C(3) 10.3(9) ? . . . .
Pt(1) O(1) C(4) C(5) -170.6(5) ? . . . .
Pt(1) O(2) C(12) C(11) -3.6(9) ? . . . .
Pt(1) O(2) C(12) C(13) 178.0(4) ? . . . .
Pt(1) N(1) C(2) C(3) 1.1(6) ? . . . .
C(1) N(1) C(2) C(3) -179.4(4) ? . . . .
Pt(1) N(2) C(10) C(11) -2.9(7) ? . . . .
C(9) N(2) C(10) C(11) 178.7(4) ? . . . .
N(1) C(2) C(3) C(4) -3.8(7) ? . . . .
N(1) C(2) C(3) C(8) 176.0(4) ? . . . .
C(2) C(3) C(4) O(1) -2.4(7) ? . . . .
C(2) C(3) C(4) C(5) 178.5(5) ? . . . .
C(2) C(3) C(8) C(7) -177.3(4) ? . . . .
C(4) C(3) C(8) C(7) 2.6(6) ? . . . .
C(8) C(3) C(4) O(1) 177.8(5) ? . . . .
C(8) C(3) C(4) C(5) -1.4(6) ? . . . .
O(1) C(4) C(5) C(6) -179.9(5) ? . . . .
C(3) C(4) C(5) C(6) -0.7(8) ? . . . .
C(4) C(5) C(6) Cl(1) -175.0(4) ? . . . .
C(4) C(5) C(6) C(7) 1.8(9) ? . . . .
Cl(1) C(6) C(7) C(8) 176.1(3) ? . . . .
C(5) C(6) C(7) C(8) -0.7(7) ? . . . .
C(6) C(7) C(8) C(3) -1.6(6) ? . . . .
N(2) C(10) C(11) C(12) -0.6(8) ? . . . .
N(2) C(10) C(11) C(16) -178.0(4) ? . . . .
C(10) C(11) C(12) O(2) 4.2(8) ? . . . .
C(10) C(11) C(12) C(13) -177.5(4) ? . . . .
C(10) C(11) C(16) C(15) 178.1(4) ? . . . .
C(12) C(11) C(16) C(15) 0.5(6) ? . . . .
C(16) C(11) C(12) O(2) -178.4(5) ? . . . .
C(16) C(11) C(12) C(13) -0.2(5) ? . . . .
O(2) C(12) C(13) C(14) 179.0(5) ? . . . .
C(11) C(12) C(13) C(14) 0.6(6) ? . . . .
C(12) C(13) C(14) Cl(2) 178.5(3) ? . . . .
C(12) C(13) C(14) C(15) -1.4(6) ? . . . .
Cl(2) C(14) C(15) C(16) -178.1(3) ? . . . .
C(13) C(14) C(15) C(16) 1.7(6) ? . . . .
C(14) C(15) C(16) C(11) -1.3(6) ? . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Pt(1) C(1) 3.060(5) ? . .
Pt(1) C(2) 2.959(4) ? . .
Pt(1) C(3) 3.359(4) ? . .
Pt(1) C(4) 2.977(3) ? . .
Pt(1) C(9) 3.017(4) ? . .
Pt(1) C(10) 2.925(4) ? . .
Pt(1) C(11) 3.325(4) ? . .
Pt(1) C(12) 2.975(3) ? . .
Cl(1) N(2) 3.581(4) ? . 2_654
Cl(1) C(2) 3.518(5) ? . 2_655
Cl(1) C(5) 2.707(3) ? . .
Cl(1) C(7) 2.704(4) ? . .
Cl(1) C(9) 3.570(5) ? . 2_654
Cl(1) C(10) 3.470(4) ? . 3_565
Cl(2) C(13) 2.694(3) ? . .
Cl(2) C(13) 3.536(4) ? . 2_555
Cl(2) C(15) 2.721(4) ? . .
O(1) N(1) 2.917(4) ? . .
O(1) N(2) 2.765(5) ? . .
O(1) C(2) 2.991(6) ? . .
O(1) C(3) 2.440(5) ? . .
O(1) C(5) 2.334(4) ? . .
O(1) C(6) 3.567(9) ? . 2_655
O(1) C(9) 2.752(6) ? . .
O(1) C(16) 3.481(7) ? . 4_664
O(2) N(1) 2.756(5) ? . .
O(2) N(2) 2.912(5) ? . .
O(2) C(1) 2.738(7) ? . .
O(2) C(10) 2.983(6) ? . .
O(2) C(11) 2.426(6) ? . .
O(2) C(13) 2.331(4) ? . .
N(1) O(1) 2.917(4) ? . .
N(1) O(2) 2.756(5) ? . .
N(1) C(3) 2.463(5) ? . .
N(1) C(4) 3.040(5) ? . .
N(2) Cl(1) 3.581(4) ? . 2_655
N(2) O(1) 2.765(5) ? . .
N(2) O(2) 2.912(5) ? . .
N(2) C(11) 2.454(5) ? . .
N(2) C(12) 3.041(5) ? . .
C(1) Pt(1) 3.060(5) ? . .
C(1) O(2) 2.738(7) ? . .
C(1) C(2) 2.366(6) ? . .
C(2) Pt(1) 2.959(4) ? . .
C(2) Cl(1) 3.518(5) ? . 2_654
C(2) O(1) 2.991(6) ? . .
C(2) C(1) 2.366(6) ? . .
C(2) C(4) 2.531(5) ? . .
C(2) C(8) 2.424(6) ? . .
C(3) Pt(1) 3.359(4) ? . .
C(3) O(1) 2.440(5) ? . .
C(3) N(1) 2.463(5) ? . .
C(3) C(5) 2.427(5) ? . .
C(3) C(6) 2.779(5) ? . .
C(3) C(6) 3.487(6) ? . 2_654
C(3) C(7) 2.444(5) ? . .
C(4) Pt(1) 2.977(3) ? . .
C(4) N(1) 3.040(5) ? . .
C(4) C(2) 2.531(5) ? . .
C(4) C(6) 2.428(5) ? . .
C(4) C(7) 2.846(5) ? . .
C(4) C(7) 3.361(6) ? . 2_655
C(4) C(8) 2.442(5) ? . .
C(5) Cl(1) 2.707(3) ? . .
C(5) O(1) 2.334(4) ? . .
C(5) C(3) 2.427(5) ? . .
C(5) C(7) 2.430(6) ? . .
C(5) C(8) 2.769(6) ? . .
C(5) C(8) 3.551(7) ? . 2_655
C(6) O(1) 3.567(9) ? . 2_654
C(6) C(3) 2.779(5) ? . .
C(6) C(3) 3.487(6) ? . 2_655
C(6) C(4) 2.428(5) ? . .
C(6) C(8) 2.370(5) ? . .
C(6) C(8) 3.562(6) ? . 2_655
C(7) Cl(1) 2.704(4) ? . .
C(7) C(3) 2.444(5) ? . .
C(7) C(4) 2.846(5) ? . .
C(7) C(4) 3.361(6) ? . 2_654
C(7) C(5) 2.430(6) ? . .
C(8) C(2) 2.424(6) ? . .
C(8) C(4) 2.442(5) ? . .
C(8) C(5) 2.769(6) ? . .
C(8) C(5) 3.551(7) ? . 2_654
C(8) C(6) 2.370(5) ? . .
C(8) C(6) 3.562(6) ? . 2_654
C(9) Pt(1) 3.017(4) ? . .
C(9) Cl(1) 3.570(5) ? . 2_655
C(9) O(1) 2.752(6) ? . .
C(9) C(10) 2.355(6) ? . .
C(10) Pt(1) 2.925(4) ? . .
C(10) Cl(1) 3.470(4) ? . 3_465
C(10) O(2) 2.983(6) ? . .
C(10) C(9) 2.355(6) ? . .
C(10) C(12) 2.524(5) ? . .
C(10) C(16) 2.436(5) ? . .
C(11) Pt(1) 3.325(4) ? . .
C(11) O(2) 2.426(6) ? . .
C(11) N(2) 2.454(5) ? . .
C(11) C(13) 2.445(6) ? . .
C(11) C(14) 2.796(6) ? . .
C(11) C(15) 2.457(7) ? . .
C(12) Pt(1) 2.975(3) ? . .
C(12) N(2) 3.041(5) ? . .
C(12) C(10) 2.524(5) ? . .
C(12) C(14) 2.422(5) ? . .
C(12) C(15) 2.832(6) ? . .
C(12) C(16) 2.432(6) ? . .
C(13) Cl(2) 2.694(3) ? . .
C(13) Cl(2) 3.536(4) ? . 2_554
C(13) O(2) 2.331(4) ? . .
C(13) C(11) 2.445(6) ? . .
C(13) C(14) 3.590(6) ? . 2_554
C(13) C(15) 2.429(6) ? . .
C(13) C(15) 3.503(6) ? . 2_554
C(13) C(16) 2.773(6) ? . .
C(14) C(11) 2.796(6) ? . .
C(14) C(12) 2.422(5) ? . .
C(14) C(13) 3.590(6) ? . 2_555
C(14) C(15) 3.376(6) ? . 2_554
C(14) C(16) 2.365(6) ? . .
C(15) Cl(2) 2.721(4) ? . .
C(15) C(11) 2.457(7) ? . .
C(15) C(12) 2.832(6) ? . .
C(15) C(13) 2.429(6) ? . .
C(15) C(13) 3.503(6) ? . 2_555
C(15) C(14) 3.376(6) ? . 2_555
C(16) O(1) 3.481(7) ? . 4_665
C(16) C(10) 2.436(5) ? . .
C(16) C(12) 2.432(6) ? . .
C(16) C(13) 2.773(6) ? . .
C(16) C(14) 2.365(6) ? . .
Pt(1) H(1) 3.441 ? . .
Pt(1) H(2) 3.131 ? . 4_655
Pt(1) H(3) 3.018 ? . .
Pt(1) H(8) 3.405 ? . .
Pt(1) H(9) 3.509 ? . 4_664
Pt(1) H(10) 2.981 ? . .
Pt(1) H(11) 3.083 ? . 4_664
Cl(1) H(1) 3.120 ? . 3_555
Cl(1) H(5) 2.796 ? . .
Cl(1) H(6) 2.813 ? . .
Cl(1) H(8) 2.843 ? . 2_654
Cl(1) H(9) 3.562 ? . 3_565
Cl(1) H(11) 3.047 ? . 3_565
Cl(1) H(14) 3.444 ? . 3_565
Cl(2) H(3) 3.255 ? . 2_555
Cl(2) H(4) 3.441 ? . 3_455
Cl(2) H(6) 3.427 ? . 4_655
Cl(2) H(7) 3.569 ? . 3_455
Cl(2) H(7) 3.011 ? . 4_655
Cl(2) H(9) 3.191 ? . 3_465
Cl(2) H(10) 3.407 ? . 3_465
Cl(2) H(12) 2.778 ? . .
Cl(2) H(12) 3.207 ? . 2_555
Cl(2) H(13) 2.835 ? . .
O(1) H(5) 2.512 ? . .
O(1) H(8) 2.990 ? . .
O(1) H(10) 2.189 ? . .
O(1) H(11) 3.056 ? . 4_664
O(1) H(14) 2.566 ? . 4_664
O(2) H(1) 2.929 ? . .
O(2) H(2) 2.823 ? . 4_655
O(2) H(3) 2.211 ? . .
O(2) H(4) 3.066 ? . 4_655
O(2) H(9) 3.475 ? . 4_664
O(2) H(12) 2.511 ? . .
N(1) H(1) 2.009 ? . .
N(1) H(2) 2.010 ? . .
N(1) H(2) 2.965 ? . 4_655
N(1) H(3) 2.010 ? . .
N(1) H(4) 1.914 ? . .
N(2) H(8) 1.999 ? . .
N(2) H(8) 3.451 ? . 4_664
N(2) H(9) 1.999 ? . .
N(2) H(10) 1.999 ? . .
N(2) H(11) 1.920 ? . .
N(2) H(11) 3.080 ? . 4_664
C(1) H(1) 3.141 ? . 4_654
C(1) H(2) 3.014 ? . 4_655
C(1) H(4) 2.421 ? . .
C(1) H(6) 2.890 ? . 3_455
C(2) H(1) 2.797 ? . .
C(2) H(2) 2.448 ? . .
C(2) H(3) 3.097 ? . .
C(2) H(7) 2.553 ? . .
C(3) H(4) 2.045 ? . .
C(3) H(5) 3.291 ? . .
C(3) H(6) 3.302 ? . .
C(3) H(6) 3.512 ? . 2_655
C(3) H(7) 2.038 ? . .
C(4) H(4) 3.345 ? . .
C(4) H(5) 2.053 ? . .
C(4) H(5) 3.593 ? . 2_654
C(4) H(6) 3.456 ? . 2_655
C(4) H(7) 3.295 ? . .
C(4) H(10) 3.342 ? . .
C(4) H(14) 2.901 ? . 4_664
C(5) H(5) 3.518 ? . 2_654
C(5) H(6) 3.287 ? . .
C(5) H(13) 3.538 ? . 4_664
C(5) H(14) 3.424 ? . 3_565
C(5) H(14) 3.018 ? . 4_664
C(6) H(5) 2.032 ? . .
C(6) H(6) 2.048 ? . .
C(6) H(7) 3.228 ? . .
C(7) H(1) 3.477 ? . 3_555
C(7) H(3) 3.356 ? . 3_555
C(7) H(5) 3.277 ? . .
C(7) H(7) 2.022 ? . .
C(7) H(7) 3.492 ? . 2_655
C(7) H(12) 2.938 ? . 3_555
C(8) H(4) 2.525 ? . .
C(8) H(6) 2.046 ? . .
C(8) H(7) 3.479 ? . 2_655
C(8) H(12) 2.890 ? . 3_555
C(8) H(12) 3.384 ? . 4_654
C(9) H(11) 2.415 ? . .
C(9) H(11) 3.248 ? . 4_664
C(9) H(13) 3.006 ? . 3_565
C(9) H(14) 3.482 ? . 4_664
C(10) H(8) 2.770 ? . .
C(10) H(8) 3.243 ? . 4_664
C(10) H(9) 2.443 ? . .
C(10) H(10) 3.097 ? . .
C(10) H(10) 3.233 ? . 4_665
C(10) H(14) 2.571 ? . .
C(11) H(8) 3.258 ? . 4_664
C(11) H(10) 3.399 ? . 4_665
C(11) H(11) 2.035 ? . .
C(11) H(12) 3.305 ? . .
C(11) H(13) 3.315 ? . .
C(11) H(14) 2.054 ? . .
C(12) H(3) 3.328 ? . .
C(12) H(4) 3.201 ? . 4_655
C(12) H(8) 3.494 ? . 4_664
C(12) H(11) 3.336 ? . .
C(12) H(12) 2.064 ? . .
C(12) H(13) 3.494 ? . 2_554
C(12) H(14) 3.287 ? . .
C(13) H(4) 3.084 ? . 4_655
C(13) H(7) 3.488 ? . 3_455
C(13) H(7) 2.838 ? . 4_655
C(13) H(13) 3.285 ? . .
C(13) H(13) 3.284 ? . 2_554
C(14) H(7) 3.046 ? . 4_655
C(14) H(12) 2.035 ? . .
C(14) H(12) 3.433 ? . 2_555
C(14) H(13) 2.046 ? . .
C(14) H(13) 3.268 ? . 2_554
C(14) H(14) 3.222 ? . .
C(15) H(5) 2.979 ? . 3_465
C(15) H(8) 3.515 ? . 3_465
C(15) H(10) 3.330 ? . 3_465
C(15) H(12) 3.280 ? . .
C(15) H(13) 3.496 ? . 2_554
C(15) H(14) 2.010 ? . .
C(16) H(5) 2.825 ? . 3_465
C(16) H(5) 3.519 ? . 4_665
C(16) H(10) 3.039 ? . 4_665
C(16) H(11) 2.535 ? . .
C(16) H(13) 2.034 ? . .
H(1) Pt(1) 3.441 ? . .
H(1) Cl(1) 3.120 ? . 3_455
H(1) O(2) 2.929 ? . .
H(1) N(1) 2.009 ? . .
H(1) C(1) 3.141 ? . 4_655
H(1) C(2) 2.797 ? . .
H(1) C(7) 3.477 ? . 3_455
H(1) H(2) 1.551 ? . .
H(1) H(2) 2.417 ? . 4_655
H(1) H(3) 1.551 ? . .
H(1) H(3) 3.200 ? . 4_655
H(1) H(4) 2.785 ? . .
H(1) H(4) 3.357 ? . 4_655
H(1) H(6) 2.709 ? . 3_455
H(2) Pt(1) 3.131 ? . 4_654
H(2) O(2) 2.823 ? . 4_654
H(2) N(1) 2.010 ? . .
H(2) N(1) 2.965 ? . 4_654
H(2) C(1) 3.014 ? . 4_654
H(2) C(2) 2.448 ? . .
H(2) H(1) 1.551 ? . .
H(2) H(1) 2.417 ? . 4_654
H(2) H(3) 1.551 ? . .
H(2) H(3) 3.302 ? . 4_654
H(2) H(4) 2.170 ? . .
H(2) H(6) 3.087 ? . 3_455
H(3) Pt(1) 3.018 ? . .
H(3) Cl(2) 3.255 ? . 2_554
H(3) O(2) 2.211 ? . .
H(3) N(1) 2.010 ? . .
H(3) C(2) 3.097 ? . .
H(3) C(7) 3.356 ? . 3_455
H(3) C(12) 3.328 ? . .
H(3) H(1) 1.551 ? . .
H(3) H(1) 3.200 ? . 4_654
H(3) H(2) 1.551 ? . .
H(3) H(2) 3.302 ? . 4_655
H(3) H(4) 3.263 ? . .
H(3) H(6) 2.427 ? . 3_455
H(3) H(12) 3.257 ? . .
H(4) Cl(2) 3.441 ? . 3_555
H(4) O(2) 3.066 ? . 4_654
H(4) N(1) 1.914 ? . .
H(4) C(1) 2.421 ? . .
H(4) C(3) 2.045 ? . .
H(4) C(4) 3.345 ? . .
H(4) C(8) 2.525 ? . .
H(4) C(12) 3.201 ? . 4_654
H(4) C(13) 3.084 ? . 4_654
H(4) H(1) 2.785 ? . .
H(4) H(1) 3.357 ? . 4_654
H(4) H(2) 2.170 ? . .
H(4) H(3) 3.263 ? . .
H(4) H(7) 2.288 ? . .
H(4) H(12) 2.885 ? . 4_654
H(5) Cl(1) 2.796 ? . .
H(5) O(1) 2.512 ? . .
H(5) C(3) 3.291 ? . .
H(5) C(4) 2.053 ? . .
H(5) C(4) 3.593 ? . 2_655
H(5) C(5) 3.518 ? . 2_655
H(5) C(6) 2.032 ? . .
H(5) C(7) 3.277 ? . .
H(5) C(15) 2.979 ? . 3_565
H(5) C(16) 2.825 ? . 3_565
H(5) C(16) 3.519 ? . 4_664
H(5) H(10) 3.314 ? . .
H(5) H(13) 2.927 ? . 3_565
H(5) H(13) 3.072 ? . 4_664
H(5) H(14) 2.620 ? . 3_565
H(5) H(14) 2.829 ? . 4_664
H(6) Cl(1) 2.813 ? . .
H(6) Cl(2) 3.427 ? . 4_654
H(6) C(1) 2.890 ? . 3_555
H(6) C(3) 3.302 ? . .
H(6) C(3) 3.512 ? . 2_654
H(6) C(4) 3.456 ? . 2_654
H(6) C(5) 3.287 ? . .
H(6) C(6) 2.048 ? . .
H(6) C(8) 2.046 ? . .
H(6) H(1) 2.709 ? . 3_555
H(6) H(2) 3.087 ? . 3_555
H(6) H(3) 2.427 ? . 3_555
H(6) H(7) 2.336 ? . .
H(6) H(12) 2.751 ? . 3_555
H(7) Cl(2) 3.569 ? . 3_555
H(7) Cl(2) 3.011 ? . 4_654
H(7) C(2) 2.553 ? . .
H(7) C(3) 2.038 ? . .
H(7) C(4) 3.295 ? . .
H(7) C(6) 3.228 ? . .
H(7) C(7) 2.022 ? . .
H(7) C(7) 3.492 ? . 2_654
H(7) C(8) 3.479 ? . 2_654
H(7) C(13) 3.488 ? . 3_555
H(7) C(13) 2.838 ? . 4_654
H(7) C(14) 3.046 ? . 4_654
H(7) H(4) 2.288 ? . .
H(7) H(6) 2.336 ? . .
H(7) H(12) 2.661 ? . 3_555
H(7) H(12) 2.523 ? . 4_654
H(8) Pt(1) 3.405 ? . .
H(8) Cl(1) 2.843 ? . 2_655
H(8) O(1) 2.990 ? . .
H(8) N(2) 1.999 ? . .
H(8) N(2) 3.451 ? . 4_665
H(8) C(10) 2.770 ? . .
H(8) C(10) 3.243 ? . 4_665
H(8) C(11) 3.258 ? . 4_665
H(8) C(12) 3.494 ? . 4_665
H(8) C(15) 3.515 ? . 3_565
H(8) H(9) 1.551 ? . .
H(8) H(10) 1.551 ? . .
H(8) H(11) 2.740 ? . .
H(8) H(13) 2.615 ? . 3_565
H(9) Pt(1) 3.509 ? . 4_665
H(9) Cl(1) 3.562 ? . 3_465
H(9) Cl(2) 3.191 ? . 3_565
H(9) O(2) 3.475 ? . 4_665
H(9) N(2) 1.999 ? . .
H(9) C(10) 2.443 ? . .
H(9) H(8) 1.551 ? . .
H(9) H(10) 1.551 ? . .
H(9) H(11) 2.182 ? . .
H(9) H(11) 3.433 ? . 4_664
H(9) H(13) 3.268 ? . 3_565
H(10) Pt(1) 2.981 ? . .
H(10) Cl(2) 3.407 ? . 3_565
H(10) O(1) 2.189 ? . .
H(10) N(2) 1.999 ? . .
H(10) C(4) 3.342 ? . .
H(10) C(10) 3.097 ? . .
H(10) C(10) 3.233 ? . 4_664
H(10) C(11) 3.399 ? . 4_664
H(10) C(15) 3.330 ? . 3_565
H(10) C(16) 3.039 ? . 4_664
H(10) H(5) 3.314 ? . .
H(10) H(8) 1.551 ? . .
H(10) H(9) 1.551 ? . .
H(10) H(11) 3.273 ? . .
H(10) H(11) 2.757 ? . 4_664
H(10) H(13) 2.685 ? . 3_565
H(10) H(14) 2.558 ? . 4_664
H(11) Pt(1) 3.083 ? . 4_665
H(11) Cl(1) 3.047 ? . 3_465
H(11) O(1) 3.056 ? . 4_665
H(11) N(2) 1.920 ? . .
H(11) N(2) 3.080 ? . 4_665
H(11) C(9) 2.415 ? . .
H(11) C(9) 3.248 ? . 4_665
H(11) C(11) 2.035 ? . .
H(11) C(12) 3.336 ? . .
H(11) C(16) 2.535 ? . .
H(11) H(8) 2.740 ? . .
H(11) H(9) 2.182 ? . .
H(11) H(9) 3.433 ? . 4_665
H(11) H(10) 3.273 ? . .
H(11) H(10) 2.757 ? . 4_665
H(11) H(14) 2.304 ? . .
H(12) Cl(2) 2.778 ? . .
H(12) Cl(2) 3.207 ? . 2_554
H(12) O(2) 2.511 ? . .
H(12) C(7) 2.938 ? . 3_455
H(12) C(8) 2.890 ? . 3_455
H(12) C(8) 3.384 ? . 4_655
H(12) C(11) 3.305 ? . .
H(12) C(12) 2.064 ? . .
H(12) C(14) 2.035 ? . .
H(12) C(14) 3.433 ? . 2_554
H(12) C(15) 3.280 ? . .
H(12) H(3) 3.257 ? . .
H(12) H(4) 2.885 ? . 4_655
H(12) H(6) 2.751 ? . 3_455
H(12) H(7) 2.661 ? . 3_455
H(12) H(7) 2.523 ? . 4_655
H(13) Cl(2) 2.835 ? . .
H(13) C(5) 3.538 ? . 4_665
H(13) C(9) 3.006 ? . 3_465
H(13) C(11) 3.315 ? . .
H(13) C(12) 3.494 ? . 2_555
H(13) C(13) 3.285 ? . .
H(13) C(13) 3.284 ? . 2_555
H(13) C(14) 2.046 ? . .
H(13) C(14) 3.268 ? . 2_555
H(13) C(15) 3.496 ? . 2_555
H(13) C(16) 2.034 ? . .
H(13) H(5) 2.927 ? . 3_465
H(13) H(5) 3.072 ? . 4_665
H(13) H(8) 2.615 ? . 3_465
H(13) H(9) 3.268 ? . 3_465
H(13) H(10) 2.685 ? . 3_465
H(13) H(14) 2.318 ? . .
H(14) Cl(1) 3.444 ? . 3_465
H(14) O(1) 2.566 ? . 4_665
H(14) C(4) 2.901 ? . 4_665
H(14) C(5) 3.424 ? . 3_465
H(14) C(5) 3.018 ? . 4_665
H(14) C(9) 3.482 ? . 4_665
H(14) C(10) 2.571 ? . .
H(14) C(11) 2.054 ? . .
H(14) C(12) 3.287 ? . .
H(14) C(14) 3.222 ? . .
H(14) C(15) 2.010 ? . .
H(14) H(5) 2.620 ? . 3_465
H(14) H(5) 2.829 ? . 4_665
H(14) H(10) 2.558 ? . 4_665
H(14) H(11) 2.304 ? . .
H(14) H(13) 2.318 ? . .


#==============================================================================

# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================

#     End of CIF

#==============================================================================

_database_code_depnum_ccdc_archive 'CCDC 985144'
