# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jlggd120419_02
_database_code_depnum_ccdc_archive 'CCDC 1435135'
_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2016-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H17 I2 N3 O Pt'
_chemical_formula_sum            'C17 H17 I2 N3 O Pt'
_chemical_formula_weight         728.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'

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

_cell_length_a                   30.1303(7)
_cell_length_b                   9.2069(2)
_cell_length_c                   14.6698(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4069.50(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    26067
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.377
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2656
_exptl_absorpt_coefficient_mu    9.939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.16415
_exptl_absorpt_correction_T_max  0.22820
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2003)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20031
_diffrn_reflns_av_R_equivalents  0.0572
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         27.48
_reflns_number_total             4619
_reflns_number_gt                3696
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0447P)²+2.4537P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4619
_refine_ls_number_parameters     218
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_ref         0.0899
_refine_ls_wR_factor_gt          0.0760
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6183(2) 0.3681(6) 0.7781(3) 0.0336(13) Uani 1 1 d . . .
C2 C 0.6660(3) 0.5447(6) 0.8134(4) 0.0495(17) Uani 1 1 d . . .
H2 H 0.6929 0.5979 0.8184 0.059 Uiso 1 1 calc R . .
C3 C 0.6259(3) 0.5869(7) 0.8436(4) 0.0502(17) Uani 1 1 d . . .
H3 H 0.6190 0.6751 0.8740 0.060 Uiso 1 1 calc R . .
C4 C 0.6968(3) 0.3253(6) 0.7323(4) 0.0469(16) Uani 1 1 d . . .
H4A H 0.6843 0.2372 0.7034 0.056 Uiso 1 1 calc R . .
H4B H 0.7179 0.2939 0.7802 0.056 Uiso 1 1 calc R . .
C5 C 0.7214(2) 0.4131(6) 0.6614(4) 0.0422(15) Uani 1 1 d . . .
C6 C 0.6978(2) 0.4874(7) 0.5930(4) 0.0491(16) Uani 1 1 d . . .
H6 H 0.6664 0.4821 0.5916 0.059 Uiso 1 1 calc R . .
C7 C 0.7197(2) 0.5670(7) 0.5288(4) 0.0498(16) Uani 1 1 d . . .
H7 H 0.7034 0.6183 0.4837 0.060 Uiso 1 1 calc R . .
C8 C 0.7658(3) 0.5735(7) 0.5290(4) 0.0496(16) Uani 1 1 d . . .
C9 C 0.7892(2) 0.4985(7) 0.5953(4) 0.0496(16) Uani 1 1 d . . .
H9 H 0.8207 0.5018 0.5954 0.060 Uiso 1 1 calc R . .
C10 C 0.7671(2) 0.4183(7) 0.6621(4) 0.0473(15) Uani 1 1 d . . .
H10 H 0.7834 0.3677 0.7075 0.057 Uiso 1 1 calc R . .
C11 C 0.7900(3) 0.6593(8) 0.4601(5) 0.060(2) Uani 1 1 d . . .
H11 H 0.8210 0.6718 0.4677 0.072 Uiso 1 1 calc R . .
C12 C 0.5499(3) 0.4757(8) 0.8420(5) 0.062(2) Uani 1 1 d . . .
H12A H 0.5378 0.3786 0.8307 0.093 Uiso 1 1 calc R . .
H12B H 0.5347 0.5464 0.8030 0.093 Uiso 1 1 calc R . .
H12C H 0.5454 0.5017 0.9061 0.093 Uiso 1 1 calc R . .
C13 C 0.5254(2) -0.0185(6) 0.6446(4) 0.0400(14) Uani 1 1 d . . .
H13 H 0.5068 0.0645 0.6473 0.048 Uiso 1 1 calc R . .
C14 C 0.5095(2) -0.1426(7) 0.6038(4) 0.0478(15) Uani 1 1 d . . .
H14 H 0.4804 -0.1457 0.5792 0.057 Uiso 1 1 calc R . .
C15 C 0.5373(3) -0.2636(7) 0.5994(4) 0.0547(18) Uani 1 1 d . . .
H15 H 0.5277 -0.3498 0.5698 0.066 Uiso 1 1 calc R . .
C16 C 0.5779(3) -0.2569(7) 0.6376(4) 0.0527(17) Uani 1 1 d . . .
H16 H 0.5969 -0.3393 0.6364 0.063 Uiso 1 1 calc R . .
C17 C 0.5918(2) -0.1305(7) 0.6783(4) 0.0430(15) Uani 1 1 d . . .
H17 H 0.6204 -0.1280 0.7056 0.052 Uiso 1 1 calc R . .
N1 N 0.66089(18) 0.4100(5) 0.7740(3) 0.0376(12) Uani 1 1 d . . .
N2 N 0.59660(18) 0.4765(5) 0.8216(3) 0.0405(12) Uani 1 1 d . . .
N3 N 0.56650(18) -0.0099(5) 0.6809(3) 0.0367(11) Uani 1 1 d . . .
O1 O 0.7725(2) 0.7147(6) 0.3944(3) 0.0804(19) Uani 1 1 d . . .
I1 I 0.609135(19) 0.06738(5) 0.88893(3) 0.05775(15) Uani 1 1 d . . .
I2 I 0.574243(16) 0.31524(4) 0.57912(2) 0.04070(12) Uani 1 1 d . . .
Pt1 Pt 0.592241(8) 0.18465(2) 0.732107(14) 0.03122(9) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.343(8) . ?
C1 N2 1.352(7) . ?
C1 Pt1 1.981(6) . ?
C2 C3 1.344(10) . ?
C2 N1 1.377(7) . ?
C2 H2 0.9500 . ?
C3 N2 1.384(8) . ?
C3 H3 0.9500 . ?
C4 N1 1.468(8) . ?
C4 C5 1.510(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C10 1.379(9) . ?
C5 C6 1.406(9) . ?
C6 C7 1.364(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.389(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(9) . ?
C8 C11 1.475(9) . ?
C9 C10 1.396(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 O1 1.210(9) . ?
C11 H11 0.9500 . ?
C12 N2 1.438(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 N3 1.349(8) . ?
C13 C14 1.376(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.395(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.349(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(9) . ?
C16 H16 0.9500 . ?
C17 N3 1.348(8) . ?
C17 H17 0.9500 . ?
N3 Pt1 2.091(4) . ?
I1 Pt1 2.5918(4) . ?
I2 Pt1 2.6031(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 N2 105.7(5) . . ?
N1 C1 Pt1 127.5(4) . . ?
N2 C1 Pt1 126.8(5) . . ?
C3 C2 N1 107.3(6) . . ?
C3 C2 H2 126.3 . . ?
N1 C2 H2 126.3 . . ?
C2 C3 N2 106.5(6) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
N1 C4 C5 111.3(5) . . ?
N1 C4 H4A 109.4 . . ?
C5 C4 H4A 109.4 . . ?
N1 C4 H4B 109.4 . . ?
C5 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C10 C5 C6 119.5(6) . . ?
C10 C5 C4 120.2(6) . . ?
C6 C5 C4 120.3(6) . . ?
C7 C6 C5 120.7(6) . . ?
C7 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C6 C7 C8 120.3(6) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 119.2(6) . . ?
C9 C8 C11 119.8(7) . . ?
C7 C8 C11 121.0(7) . . ?
C8 C9 C10 120.9(7) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C5 C10 C9 119.3(6) . . ?
C5 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
O1 C11 C8 123.8(8) . . ?
O1 C11 H11 118.1 . . ?
C8 C11 H11 118.1 . . ?
N2 C12 H12A 109.5 . . ?
N2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 C14 122.7(6) . . ?
N3 C13 H13 118.6 . . ?
C14 C13 H13 118.6 . . ?
C13 C14 C15 118.3(7) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 120.8 . . ?
C16 C15 C14 119.3(6) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C15 C16 C17 119.8(7) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
N3 C17 C16 122.6(6) . . ?
N3 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
C1 N1 C2 110.3(5) . . ?
C1 N1 C4 124.9(5) . . ?
C2 N1 C4 124.8(6) . . ?
C1 N2 C3 110.1(6) . . ?
C1 N2 C12 124.5(5) . . ?
C3 N2 C12 125.4(5) . . ?
C17 N3 C13 117.3(5) . . ?
C17 N3 Pt1 120.4(4) . . ?
C13 N3 Pt1 122.2(4) . . ?
C1 Pt1 N3 178.2(2) . . ?
C1 Pt1 I1 88.58(15) . . ?
N3 Pt1 I1 92.00(12) . . ?
C1 Pt1 I2 88.98(15) . . ?
N3 Pt1 I2 90.50(12) . . ?
I1 Pt1 I2 176.944(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 N2 -0.2(7) . . . . ?
N1 C4 C5 C10 131.5(6) . . . . ?
N1 C4 C5 C6 -50.0(8) . . . . ?
C10 C5 C6 C7 -1.5(10) . . . . ?
C4 C5 C6 C7 180.0(6) . . . . ?
C5 C6 C7 C8 1.3(10) . . . . ?
C6 C7 C8 C9 -0.2(10) . . . . ?
C6 C7 C8 C11 -179.9(6) . . . . ?
C7 C8 C9 C10 -0.7(10) . . . . ?
C11 C8 C9 C10 179.1(6) . . . . ?
C6 C5 C10 C9 0.7(9) . . . . ?
C4 C5 C10 C9 179.2(5) . . . . ?
C8 C9 C10 C5 0.4(10) . . . . ?
C9 C8 C11 O1 171.7(7) . . . . ?
C7 C8 C11 O1 -8.6(11) . . . . ?
N3 C13 C14 C15 -0.5(9) . . . . ?
C13 C14 C15 C16 2.2(10) . . . . ?
C14 C15 C16 C17 -1.5(10) . . . . ?
C15 C16 C17 N3 -0.9(10) . . . . ?
N2 C1 N1 C2 -0.8(6) . . . . ?
Pt1 C1 N1 C2 -179.9(4) . . . . ?
N2 C1 N1 C4 179.9(5) . . . . ?
Pt1 C1 N1 C4 0.8(8) . . . . ?
C3 C2 N1 C1 0.6(6) . . . . ?
C3 C2 N1 C4 179.9(5) . . . . ?
C5 C4 N1 C1 125.7(6) . . . . ?
C5 C4 N1 C2 -53.5(8) . . . . ?
N1 C1 N2 C3 0.7(6) . . . . ?
Pt1 C1 N2 C3 179.8(4) . . . . ?
N1 C1 N2 C12 -179.2(6) . . . . ?
Pt1 C1 N2 C12 -0.1(8) . . . . ?
C2 C3 N2 C1 -0.3(7) . . . . ?
C2 C3 N2 C12 179.5(6) . . . . ?
C16 C17 N3 C13 2.5(9) . . . . ?
C16 C17 N3 Pt1 -173.7(5) . . . . ?
C14 C13 N3 C17 -1.7(8) . . . . ?
C14 C13 N3 Pt1 174.4(4) . . . . ?
N1 C1 Pt1 I1 89.1(5) . . . . ?
N2 C1 Pt1 I1 -89.8(5) . . . . ?
N1 C1 Pt1 I2 -92.8(5) . . . . ?
N2 C1 Pt1 I2 88.3(5) . . . . ?
C17 N3 Pt1 I1 -58.8(4) . . . . ?
C13 N3 Pt1 I1 125.2(4) . . . . ?
C17 N3 Pt1 I2 123.0(4) . . . . ?
C13 N3 Pt1 I2 -53.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.040
_refine_diff_density_min         -1.821
_refine_diff_density_rms         0.338
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jlggd120720
_database_code_depnum_ccdc_archive 'CCDC 1435136'
_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2016-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H36 I2 N4 O Pt'
_chemical_formula_sum            'C33 H36 I2 N4 O Pt'
_chemical_formula_weight         953.55

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.7880(4)
_cell_length_b                   13.2107(5)
_cell_length_c                   15.6462(6)
_cell_angle_alpha                112.549(2)
_cell_angle_beta                 91.335(2)
_cell_angle_gamma                104.644(2)
_cell_volume                     1608.33(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    16165
_cell_measurement_theta_min      0.998
_cell_measurement_theta_max      27.485

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             908
_exptl_absorpt_coefficient_mu    6.314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.13366
_exptl_absorpt_correction_T_max  0.30734
_exptl_absorpt_process_details   'MULscanABS in PLATON (Spek, 2003)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17459
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         27.49
_reflns_number_total             7323
_reflns_number_gt                5867
_reflns_threshold_expression     I>2σ(I)

_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0604P)²+1.5980P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7323
_refine_ls_number_parameters     371
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0390
_refine_ls_wR_factor_ref         0.1173
_refine_ls_wR_factor_gt          0.1005
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5011(6) 0.9781(4) 0.6811(4) 0.0279(11) Uani 1 1 d . . .
C2 C 0.7311(7) 1.0126(5) 0.6244(5) 0.0383(13) Uani 1 1 d . . .
H2 H 0.8064 1.0101 0.5816 0.046 Uiso 1 1 calc R . .
C3 C 0.7600(7) 1.0726(5) 0.7158(4) 0.0362(13) Uani 1 1 d . . .
H3 H 0.8597 1.1211 0.7508 0.043 Uiso 1 1 calc R . .
C4 C 0.4879(7) 0.8720(6) 0.5100(4) 0.0431(14) Uani 1 1 d . . .
H4A H 0.4616 0.7944 0.5081 0.065 Uiso 1 1 calc R . .
H4B H 0.5566 0.8770 0.4625 0.065 Uiso 1 1 calc R . .
H4C H 0.3901 0.8897 0.4975 0.065 Uiso 1 1 calc R . .
C5 C 0.5980(7) 1.0946(5) 0.8495(4) 0.0343(12) Uani 1 1 d . . .
H5A H 0.4834 1.0813 0.8552 0.041 Uiso 1 1 calc R . .
H5B H 0.6485 1.1781 0.8781 0.041 Uiso 1 1 calc R . .
C6 C 0.6692(6) 1.0398(4) 0.9033(4) 0.0280(11) Uani 1 1 d . . .
C7 C 0.7107(7) 0.9394(5) 0.8588(4) 0.0353(12) Uani 1 1 d . . .
H7 H 0.6952 0.9037 0.7925 0.042 Uiso 1 1 calc R . .
C8 C 0.7743(7) 0.8908(5) 0.9098(4) 0.0336(12) Uani 1 1 d . . .
H8 H 0.8026 0.8222 0.8784 0.040 Uiso 1 1 calc R . .
C9 C 0.7970(6) 0.9420(4) 1.0070(4) 0.0309(12) Uani 1 1 d . . .
C10 C 0.7539(6) 1.0418(5) 1.0506(4) 0.0325(12) Uani 1 1 d . . .
H10 H 0.7677 1.0774 1.1169 0.039 Uiso 1 1 calc R . .
C11 C 0.6910(6) 1.0904(4) 0.9995(4) 0.0309(11) Uani 1 1 d . . .
H11 H 0.6628 1.1590 1.0308 0.037 Uiso 1 1 calc R . .
C12 C 0.8641(7) 0.8917(5) 1.0617(4) 0.0348(12) Uani 1 1 d . . .
H12 H 0.8732 0.9249 1.1280 0.042 Uiso 1 1 calc R . .
C13 C 1.0071(7) 0.6620(4) 1.0314(5) 0.0394(14) Uani 1 1 d . . .
H13A H 1.0601 0.6391 1.0746 0.047 Uiso 1 1 calc R . .
H13B H 1.0829 0.6762 0.9886 0.047 Uiso 1 1 calc R . .
C14 C 0.8613(6) 0.5649(4) 0.9747(4) 0.0351(13) Uani 1 1 d . . .
C15 C 0.8306(6) 0.5265(5) 0.8783(4) 0.0348(13) Uani 1 1 d . . .
C16 C 0.9270(8) 0.5779(5) 0.8237(5) 0.0448(15) Uani 1 1 d . . .
H16 H 1.0161 0.6424 0.8546 0.054 Uiso 1 1 calc R . .
C17 C 0.8935(9) 0.5365(6) 0.7309(6) 0.0576(19) Uani 1 1 d . . .
H17 H 0.9602 0.5721 0.6974 0.069 Uiso 1 1 calc R . .
C18 C 0.7596(10) 0.4399(7) 0.6803(6) 0.066(2) Uani 1 1 d . . .
H18 H 0.7377 0.4121 0.6143 0.079 Uiso 1 1 calc R . .
C19 C 0.6650(9) 0.3890(6) 0.7283(5) 0.0576(18) Uani 1 1 d . . .
H19 H 0.5765 0.3249 0.6952 0.069 Uiso 1 1 calc R . .
C20 C 0.6955(7) 0.4296(5) 0.8271(4) 0.0377(13) Uani 1 1 d . . .
C21 C 0.5978(7) 0.3778(5) 0.8763(5) 0.0393(14) Uani 1 1 d . . .
H21 H 0.5089 0.3144 0.8424 0.047 Uiso 1 1 calc R . .
C22 C 0.6240(6) 0.4140(4) 0.9716(4) 0.0336(12) Uani 1 1 d . . .
C23 C 0.5254(7) 0.3592(5) 1.0207(5) 0.0424(15) Uani 1 1 d . . .
H23 H 0.4351 0.2969 0.9872 0.051 Uiso 1 1 calc R . .
C24 C 0.5564(8) 0.3933(6) 1.1138(5) 0.0524(18) Uani 1 1 d . . .
H24 H 0.4898 0.3542 1.1450 0.063 Uiso 1 1 calc R . .
C25 C 0.6887(9) 0.4879(6) 1.1650(5) 0.0534(17) Uani 1 1 d . . .
H25 H 0.7105 0.5117 1.2306 0.064 Uiso 1 1 calc R . .
C26 C 0.7843(8) 0.5445(5) 1.1216(5) 0.0457(15) Uani 1 1 d . . .
H26 H 0.8700 0.6092 1.1580 0.055 Uiso 1 1 calc R . .
C27 C 0.7608(6) 0.5108(5) 1.0239(4) 0.0355(13) Uani 1 1 d . . .
C28 C -0.0629(7) 0.7488(5) 0.6021(4) 0.0375(13) Uani 1 1 d . . .
H28 H -0.0218 0.6841 0.6003 0.045 Uiso 1 1 calc R . .
C29 C -0.2386(7) 0.7180(5) 0.6122(5) 0.0439(15) Uani 1 1 d . . .
H29A H -0.2520 0.7034 0.6695 0.053 Uiso 1 1 calc R . .
H29B H -0.2802 0.7833 0.6189 0.053 Uiso 1 1 calc R . .
C30 C -0.3318(8) 0.6143(6) 0.5295(6) 0.061(2) Uani 1 1 d . . .
H30A H -0.4463 0.6022 0.5352 0.073 Uiso 1 1 calc R . .
H30B H -0.3028 0.5466 0.5294 0.073 Uiso 1 1 calc R . .
C31 C -0.3032(8) 0.6243(7) 0.4384(5) 0.063(2) Uani 1 1 d . . .
H31A H -0.3518 0.6820 0.4332 0.075 Uiso 1 1 calc R . .
H31B H -0.3566 0.5501 0.3865 0.075 Uiso 1 1 calc R . .
C32 C -0.1280(9) 0.6582(7) 0.4278(5) 0.064(2) Uani 1 1 d . . .
H32A H -0.1165 0.6738 0.3708 0.077 Uiso 1 1 calc R . .
H32B H -0.0832 0.5942 0.4205 0.077 Uiso 1 1 calc R . .
C33 C -0.0356(8) 0.7645(6) 0.5127(5) 0.0504(16) Uani 1 1 d . . .
H33A H 0.0791 0.7800 0.5071 0.060 Uiso 1 1 calc R . .
H33B H -0.0694 0.8312 0.5145 0.060 Uiso 1 1 calc R . .
N1 N 0.5704(5) 0.9538(4) 0.6024(3) 0.0311(10) Uani 1 1 d . . .
N2 N 0.6169(5) 1.0514(4) 0.7510(3) 0.0294(10) Uani 1 1 d . . .
N3 N 0.9108(6) 0.8021(4) 1.0199(4) 0.0393(12) Uani 1 1 d . . .
N4 N 0.0257(5) 0.8527(4) 0.6847(3) 0.0372(11) Uani 1 1 d . . .
H4D H 0.0125 0.8369 0.7369 0.045 Uiso 1 1 calc R . .
H4E H -0.0206 0.9099 0.6909 0.045 Uiso 1 1 calc R . .
O1 O 0.9676(5) 0.7665(3) 1.0846(3) 0.0422(10) Uani 1 1 d . . .
I1 I 0.32141(5) 0.73385(3) 0.69091(3) 0.04549(12) Uani 1 1 d . . .
I2 I 0.22051(5) 1.09912(3) 0.67603(3) 0.03955(11) Uani 1 1 d . . .
Pt1 Pt 0.27324(2) 0.917385(16) 0.684500(14) 0.02866(9) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N2 1.344(7) . ?
C1 N1 1.349(7) . ?
C1 Pt1 1.970(5) . ?
C2 C3 1.322(8) . ?
C2 N1 1.391(7) . ?
C2 H2 0.9500 . ?
C3 N2 1.392(7) . ?
C3 H3 0.9500 . ?
C4 N1 1.463(7) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 N2 1.454(7) . ?
C5 C6 1.515(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C11 1.377(7) . ?
C6 C7 1.387(7) . ?
C7 C8 1.385(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.392(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.386(8) . ?
C9 C12 1.461(8) . ?
C10 C11 1.382(8) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 N3 1.289(8) . ?
C12 H12 0.9500 . ?
C13 O1 1.447(7) . ?
C13 C14 1.523(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.389(8) . ?
C14 C27 1.420(8) . ?
C15 C20 1.446(8) . ?
C15 C16 1.447(8) . ?
C16 C17 1.335(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.436(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.357(10) . ?
C18 H18 0.9500 . ?
C19 C20 1.422(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.391(8) . ?
C21 C22 1.374(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.416(8) . ?
C22 C27 1.457(8) . ?
C23 C24 1.347(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.417(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.351(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.413(9) . ?
C26 H26 0.9500 . ?
C28 N4 1.488(7) . ?
C28 C33 1.505(9) . ?
C28 C29 1.522(8) . ?
C28 H28 1.0000 . ?
C29 C30 1.499(9) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.502(11) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.523(10) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.529(9) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
N3 O1 1.397(6) . ?
N4 Pt1 2.127(4) . ?
N4 H4D 0.9200 . ?
N4 H4E 0.9200 . ?
I1 Pt1 2.6022(4) . ?
I2 Pt1 2.6077(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 106.0(5) . . ?
N2 C1 Pt1 129.7(4) . . ?
N1 C1 Pt1 124.3(4) . . ?
C3 C2 N1 107.6(5) . . ?
C3 C2 H2 126.2 . . ?
N1 C2 H2 126.2 . . ?
C2 C3 N2 107.1(5) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N2 C5 C6 113.7(4) . . ?
N2 C5 H5A 108.8 . . ?
C6 C5 H5A 108.8 . . ?
N2 C5 H5B 108.8 . . ?
C6 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
C11 C6 C7 119.1(5) . . ?
C11 C6 C5 118.9(5) . . ?
C7 C6 C5 122.0(5) . . ?
C8 C7 C6 120.8(5) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C9 120.2(5) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C10 C9 C8 118.4(5) . . ?
C10 C9 C12 120.8(5) . . ?
C8 C9 C12 120.8(5) . . ?
C11 C10 C9 121.2(5) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C6 C11 C10 120.3(5) . . ?
C6 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
N3 C12 C9 119.9(6) . . ?
N3 C12 H12 120.1 . . ?
C9 C12 H12 120.1 . . ?
O1 C13 C14 112.2(5) . . ?
O1 C13 H13A 109.2 . . ?
C14 C13 H13A 109.2 . . ?
O1 C13 H13B 109.2 . . ?
C14 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C15 C14 C27 120.8(5) . . ?
C15 C14 C13 121.9(5) . . ?
C27 C14 C13 117.2(6) . . ?
C14 C15 C20 119.7(5) . . ?
C14 C15 C16 123.9(6) . . ?
C20 C15 C16 116.4(6) . . ?
C17 C16 C15 121.5(6) . . ?
C17 C16 H16 119.3 . . ?
C15 C16 H16 119.3 . . ?
C16 C17 C18 121.9(7) . . ?
C16 C17 H17 119.0 . . ?
C18 C17 H17 119.0 . . ?
C19 C18 C17 118.9(7) . . ?
C19 C18 H18 120.5 . . ?
C17 C18 H18 120.5 . . ?
C18 C19 C20 121.4(7) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C21 C20 C19 121.3(6) . . ?
C21 C20 C15 118.8(6) . . ?
C19 C20 C15 119.9(6) . . ?
C22 C21 C20 123.1(5) . . ?
C22 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
C21 C22 C23 122.5(5) . . ?
C21 C22 C27 118.7(5) . . ?
C23 C22 C27 118.8(6) . . ?
C24 C23 C22 121.7(6) . . ?
C24 C23 H23 119.2 . . ?
C22 C23 H23 119.2 . . ?
C23 C24 C25 119.7(6) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C26 C25 C24 120.8(7) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C25 C26 C27 122.1(6) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C26 C27 C14 124.2(6) . . ?
C26 C27 C22 116.9(5) . . ?
C14 C27 C22 119.0(6) . . ?
N4 C28 C33 111.2(5) . . ?
N4 C28 C29 110.1(5) . . ?
C33 C28 C29 111.8(5) . . ?
N4 C28 H28 107.9 . . ?
C33 C28 H28 107.9 . . ?
C29 C28 H28 107.9 . . ?
C30 C29 C28 111.5(6) . . ?
C30 C29 H29A 109.3 . . ?
C28 C29 H29A 109.3 . . ?
C30 C29 H29B 109.3 . . ?
C28 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C29 C30 C31 112.7(6) . . ?
C29 C30 H30A 109.1 . . ?
C31 C30 H30A 109.1 . . ?
C29 C30 H30B 109.1 . . ?
C31 C30 H30B 109.1 . . ?
H30A C30 H30B 107.8 . . ?
C30 C31 C32 113.4(6) . . ?
C30 C31 H31A 108.9 . . ?
C32 C31 H31A 108.9 . . ?
C30 C31 H31B 108.9 . . ?
C32 C31 H31B 108.9 . . ?
H31A C31 H31B 107.7 . . ?
C31 C32 C33 111.0(6) . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C28 C33 C32 111.3(6) . . ?
C28 C33 H33A 109.4 . . ?
C32 C33 H33A 109.4 . . ?
C28 C33 H33B 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C1 N1 C2 109.5(5) . . ?
C1 N1 C4 124.0(5) . . ?
C2 N1 C4 126.4(5) . . ?
C1 N2 C3 109.9(5) . . ?
C1 N2 C5 124.9(5) . . ?
C3 N2 C5 125.0(5) . . ?
C12 N3 O1 110.7(5) . . ?
C28 N4 Pt1 117.3(4) . . ?
C28 N4 H4D 108.0 . . ?
Pt1 N4 H4D 108.0 . . ?
C28 N4 H4E 108.0 . . ?
Pt1 N4 H4E 108.0 . . ?
H4D N4 H4E 107.2 . . ?
N3 O1 C13 106.7(5) . . ?
C1 Pt1 N4 178.33(18) . . ?
C1 Pt1 I1 90.53(14) . . ?
N4 Pt1 I1 90.51(14) . . ?
C1 Pt1 I2 90.22(14) . . ?
N4 Pt1 I2 88.73(14) . . ?
I1 Pt1 I2 179.003(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C2 C3 N2 -0.1(6) . . . . ?
N2 C5 C6 C11 165.5(5) . . . . ?
N2 C5 C6 C7 -15.6(7) . . . . ?
C11 C6 C7 C8 -0.5(8) . . . . ?
C5 C6 C7 C8 -179.4(5) . . . . ?
C6 C7 C8 C9 0.3(9) . . . . ?
C7 C8 C9 C10 0.2(8) . . . . ?
C7 C8 C9 C12 -180.0(5) . . . . ?
C8 C9 C10 C11 -0.5(8) . . . . ?
C12 C9 C10 C11 179.7(5) . . . . ?
C7 C6 C11 C10 0.2(8) . . . . ?
C5 C6 C11 C10 179.2(5) . . . . ?
C9 C10 C11 C6 0.3(8) . . . . ?
C10 C9 C12 N3 -176.5(5) . . . . ?
C8 C9 C12 N3 3.7(8) . . . . ?
O1 C13 C14 C15 106.8(6) . . . . ?
O1 C13 C14 C27 -76.1(6) . . . . ?
C27 C14 C15 C20 -0.6(8) . . . . ?
C13 C14 C15 C20 176.4(5) . . . . ?
C27 C14 C15 C16 179.5(5) . . . . ?
C13 C14 C15 C16 -3.5(8) . . . . ?
C14 C15 C16 C17 179.0(6) . . . . ?
C20 C15 C16 C17 -0.9(8) . . . . ?
C15 C16 C17 C18 0.6(10) . . . . ?
C16 C17 C18 C19 -0.3(12) . . . . ?
C17 C18 C19 C20 0.2(11) . . . . ?
C18 C19 C20 C21 179.6(7) . . . . ?
C18 C19 C20 C15 -0.5(10) . . . . ?
C14 C15 C20 C21 0.8(8) . . . . ?
C16 C15 C20 C21 -179.3(5) . . . . ?
C14 C15 C20 C19 -179.1(5) . . . . ?
C16 C15 C20 C19 0.8(8) . . . . ?
C19 C20 C21 C22 179.5(6) . . . . ?
C15 C20 C21 C22 -0.3(8) . . . . ?
C20 C21 C22 C23 -178.8(5) . . . . ?
C20 C21 C22 C27 -0.3(8) . . . . ?
C21 C22 C23 C24 177.5(6) . . . . ?
C27 C22 C23 C24 -1.0(8) . . . . ?
C22 C23 C24 C25 1.4(9) . . . . ?
C23 C24 C25 C26 0.2(10) . . . . ?
C24 C25 C26 C27 -2.1(10) . . . . ?
C25 C26 C27 C14 -177.6(6) . . . . ?
C25 C26 C27 C22 2.4(9) . . . . ?
C15 C14 C27 C26 179.9(5) . . . . ?
C13 C14 C27 C26 2.8(8) . . . . ?
C15 C14 C27 C22 -0.1(8) . . . . ?
C13 C14 C27 C22 -177.2(5) . . . . ?
C21 C22 C27 C26 -179.4(5) . . . . ?
C23 C22 C27 C26 -0.9(7) . . . . ?
C21 C22 C27 C14 0.6(8) . . . . ?
C23 C22 C27 C14 179.1(5) . . . . ?
N4 C28 C29 C30 179.4(6) . . . . ?
C33 C28 C29 C30 55.2(8) . . . . ?
C28 C29 C30 C31 -52.5(8) . . . . ?
C29 C30 C31 C32 51.4(9) . . . . ?
C30 C31 C32 C33 -51.3(9) . . . . ?
N4 C28 C33 C32 -179.4(6) . . . . ?
C29 C28 C33 C32 -55.9(8) . . . . ?
C31 C32 C33 C28 53.4(9) . . . . ?
N2 C1 N1 C2 0.2(6) . . . . ?
Pt1 C1 N1 C2 178.6(4) . . . . ?
N2 C1 N1 C4 176.6(5) . . . . ?
Pt1 C1 N1 C4 -5.0(7) . . . . ?
C3 C2 N1 C1 -0.1(6) . . . . ?
C3 C2 N1 C4 -176.4(5) . . . . ?
N1 C1 N2 C3 -0.2(6) . . . . ?
Pt1 C1 N2 C3 -178.5(4) . . . . ?
N1 C1 N2 C5 -175.6(4) . . . . ?
Pt1 C1 N2 C5 6.1(7) . . . . ?
C2 C3 N2 C1 0.2(6) . . . . ?
C2 C3 N2 C5 175.6(5) . . . . ?
C6 C5 N2 C1 104.3(6) . . . . ?
C6 C5 N2 C3 -70.4(7) . . . . ?
C9 C12 N3 O1 -178.7(4) . . . . ?
C33 C28 N4 Pt1 -52.9(6) . . . . ?
C29 C28 N4 Pt1 -177.5(4) . . . . ?
C12 N3 O1 C13 176.3(5) . . . . ?
C14 C13 O1 N3 -65.7(6) . . . . ?
N2 C1 Pt1 I1 -96.3(5) . . . . ?
N1 C1 Pt1 I1 85.7(4) . . . . ?
N2 C1 Pt1 I2 84.3(5) . . . . ?
N1 C1 Pt1 I2 -93.7(4) . . . . ?
C28 N4 Pt1 I1 -65.7(4) . . . . ?
C28 N4 Pt1 I2 113.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.297
_refine_diff_density_min         -2.843
_refine_diff_density_rms         0.256
