# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2008

data_global

_journal_coden_Cambridge         222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'Christian Slugovc'
'Stefan Kappaun'
'Ohyun Kwon'
'Kurt Mereiter'
'Fabian Niedermair'
'Gregor Trimmel'
'Karin Zojer'

_publ_contact_author_name        'Christian Slugovc'
_publ_contact_author_email       SLUGOVC@TUGRAZ.AT

_publ_section_title              
;
Cyclometalated Platinum(II) Complexes with
8-Quinolinolates Bearing Electron Withdrawing Groups in 5 Position
;

# Attachment 'crystakllopgraphicdata5a.CIF'

#=============================================================================80
# Data Global for compounds 5a, local crystal structure code 1178
#=============================================================================80

data_1178
_database_code_depnum_ccdc_archive 'CCDC 682647'

# start Validation Reply Form
_vrf_PLAT410_1178                
;
PROBLEM: Short Intra H...H Contact H10..H12 .. 1.84 Ang.
RESPONSE: This contact between two arene H atoms is stereochemically
enforced. It induces a significant tilting of the complex with
notably bent phenylpyridine and chinoline moieties.
;
_vrf_PLAT220_1178                
;
PROBLEM: Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.71 Ratio
RESPONSE: Large complex with long alkyl side chain, the terminal
atoms of which show larger displacement parameters.
;
_vrf_PLAT232_1178                
;
PROBLEM: Hirshfeld Test Diff (M-X) Pt-N2 .. 6.26 su
RESPONSE: Heavy atom structure with possibly residual absorption
effects.
;
_vrf_PLAT242_1178                
;
PROBLEM: Check Low Ueq as Compared to Neighbors for N3
RESPONSE: Rotolibrating NO2 group.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            '1178 Fab046 Pt(PhPyOHex)(OxNO2)'
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H25 N3 O4 Pt'
_chemical_formula_sum            'C26 H25 N3 O4 Pt'
_chemical_formula_weight         638.58

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'
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                   9.7184(6)
_cell_length_b                   10.8212(7)
_cell_length_c                   11.6971(7)
_cell_angle_alpha                70.186(1)
_cell_angle_beta                 77.078(1)
_cell_angle_gamma                85.137(1)
_cell_volume                     1127.94(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7072
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      29.99

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             624
_exptl_absorpt_coefficient_mu    6.260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.39
_exptl_absorpt_correction_T_max  0.61
_exptl_absorpt_process_details   'program SADABS, version 2.10'

_exptl_special_details           
;
Well developed orange prisms.
Bruker Smart APEX CCD 3-axis diffractometer, full sphere
data collection with 5 x 600 frames of 0.3deg and 8sec per
frame.
;

_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_decay_%        0
_diffrn_reflns_number            20654
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0215
_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       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         29.99
_reflns_number_total             6532
_reflns_number_gt                6164
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT, SADABS, XPREP'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0311P)^2^+0.3223P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6532
_refine_ls_number_parameters     307
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0196
_refine_ls_wR_factor_ref         0.0500
_refine_ls_wR_factor_gt          0.0493
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.547994(8) 0.635733(7) 0.553921(7) 0.02383(3) Uani 1 1 d U . .
O1 O 0.74558(19) 0.55023(17) 0.50895(18) 0.0349(4) Uani 1 1 d U . .
O2 O 0.7044(3) -0.0036(3) 0.9284(2) 0.0696(8) Uani 1 1 d U . .
O3 O 0.9003(2) -0.0158(2) 0.8065(2) 0.0544(6) Uani 1 1 d U . .
O4 O 0.4076(2) 1.10182(18) 0.28466(19) 0.0408(4) Uani 1 1 d U . .
N1 N 0.5947(2) 0.8061(2) 0.4185(2) 0.0301(4) Uani 1 1 d U . .
N2 N 0.5191(2) 0.4533(2) 0.68151(19) 0.0285(4) Uani 1 1 d U . .
N3 N 0.7918(2) 0.0445(2) 0.8338(2) 0.0359(4) Uani 1 1 d U . .
C1 C 0.7244(3) 0.8271(3) 0.3428(3) 0.0365(5) Uani 1 1 d U . .
H1 H 0.7956 0.7613 0.3581 0.044 Uiso 1 1 calc R . .
C2 C 0.7551(3) 0.9413(3) 0.2445(3) 0.0413(6) Uani 1 1 d U . .
H2 H 0.8467 0.9546 0.1926 0.050 Uiso 1 1 calc R . .
C3 C 0.6510(3) 1.0373(3) 0.2216(3) 0.0379(5) Uani 1 1 d U . .
H3 H 0.6703 1.1166 0.1535 0.045 Uiso 1 1 calc R . .
C4 C 0.5185(3) 1.0158(2) 0.2994(2) 0.0330(5) Uani 1 1 d U . .
C5 C 0.4905(3) 0.8985(2) 0.4003(2) 0.0289(4) Uani 1 1 d U . .
C6 C 0.3603(3) 0.8596(2) 0.4945(2) 0.0291(4) Uani 1 1 d U . .
C7 C 0.2381(3) 0.9377(3) 0.5011(3) 0.0360(5) Uani 1 1 d U . .
H7 H 0.2346 1.0208 0.4388 0.043 Uiso 1 1 calc R . .
C8 C 0.1225(3) 0.8947(3) 0.5976(3) 0.0409(6) Uani 1 1 d U . .
H8 H 0.0380 0.9457 0.5994 0.049 Uiso 1 1 calc R . .
C9 C 0.1312(3) 0.7774(3) 0.6908(3) 0.0446(6) Uani 1 1 d U . .
H9 H 0.0541 0.7495 0.7594 0.054 Uiso 1 1 calc R . .
C10 C 0.2530(3) 0.6990(3) 0.6850(3) 0.0404(6) Uani 1 1 d U . .
H10 H 0.2573 0.6194 0.7515 0.048 Uiso 1 1 calc R . .
C11 C 0.3687(3) 0.7335(2) 0.5851(2) 0.0292(4) Uani 1 1 d U . .
C12 C 0.4014(3) 0.4012(3) 0.7596(3) 0.0372(5) Uani 1 1 d U . .
H12 H 0.3167 0.4518 0.7567 0.045 Uiso 1 1 calc R . .
C13 C 0.3970(3) 0.2745(3) 0.8461(3) 0.0397(6) Uani 1 1 d U . .
H13 H 0.3106 0.2415 0.9014 0.048 Uiso 1 1 calc R . .
C14 C 0.5162(3) 0.1977(2) 0.8516(2) 0.0342(5) Uani 1 1 d U . .
H14 H 0.5141 0.1133 0.9130 0.041 Uiso 1 1 calc R . .
C15 C 0.6425(2) 0.2454(2) 0.7651(2) 0.0279(4) Uani 1 1 d U . .
C16 C 0.7719(3) 0.1751(2) 0.7502(2) 0.0314(4) Uani 1 1 d U . .
C17 C 0.8855(2) 0.2306(2) 0.6531(3) 0.0336(5) Uani 1 1 d U . .
H17 H 0.9696 0.1802 0.6439 0.040 Uiso 1 1 calc R . .
C18 C 0.8799(3) 0.3550(2) 0.5708(3) 0.0353(5) Uani 1 1 d U . .
H18 H 0.9591 0.3892 0.5058 0.042 Uiso 1 1 calc R . .
C19 C 0.7577(2) 0.4320(2) 0.5822(2) 0.0292(4) Uani 1 1 d U . .
C20 C 0.6394(2) 0.3745(2) 0.6797(2) 0.0252(4) Uani 1 1 d U . .
C21 C 0.4305(3) 1.2279(2) 0.1885(3) 0.0358(5) Uani 1 1 d U . .
H21A H 0.4590 1.2174 0.1055 0.043 Uiso 1 1 calc R . .
H21B H 0.5048 1.2767 0.2004 0.043 Uiso 1 1 calc R . .
C22 C 0.2898(3) 1.2991(3) 0.2010(3) 0.0384(5) Uani 1 1 d U . .
H22A H 0.2592 1.3004 0.2872 0.046 Uiso 1 1 calc R . .
H22B H 0.2184 1.2503 0.1852 0.046 Uiso 1 1 calc R . .
C23 C 0.2961(3) 1.4401(2) 0.1112(2) 0.0359(5) Uani 1 1 d U . .
H23A H 0.3683 1.4889 0.1260 0.043 Uiso 1 1 calc R . .
H23B H 0.3250 1.4390 0.0248 0.043 Uiso 1 1 calc R . .
C24 C 0.1544(3) 1.5109(3) 0.1264(3) 0.0414(6) Uani 1 1 d U . .
H24A H 0.0834 1.4622 0.1100 0.050 Uiso 1 1 calc R . .
H24B H 0.1248 1.5084 0.2138 0.050 Uiso 1 1 calc R . .
C25 C 0.1537(3) 1.6516(3) 0.0430(3) 0.0441(6) Uani 1 1 d U . .
H25A H 0.1833 1.6548 -0.0446 0.053 Uiso 1 1 calc R . .
H25B H 0.2235 1.7013 0.0598 0.053 Uiso 1 1 calc R . .
C26 C 0.0100(5) 1.7178(4) 0.0607(4) 0.0683(11) Uani 1 1 d U . .
H26A H 0.0158 1.8089 0.0046 0.102 Uiso 1 1 calc R . .
H26B H -0.0192 1.7166 0.1469 0.102 Uiso 1 1 calc R . .
H26C H -0.0592 1.6705 0.0422 0.102 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt 0.02346(5) 0.02384(5) 0.02407(5) -0.00783(3) -0.00483(3) -0.00016(3)
O1 0.0281(8) 0.0316(8) 0.0391(10) -0.0078(7) -0.0009(7) 0.0000(6)
O2 0.0516(13) 0.0646(15) 0.0499(14) 0.0159(11) 0.0140(10) 0.0158(11)
O3 0.0405(11) 0.0432(11) 0.0594(14) -0.0024(10) 0.0022(9) 0.0132(9)
O4 0.0355(9) 0.0344(9) 0.0406(11) 0.0020(7) -0.0078(8) 0.0040(7)
N1 0.0290(9) 0.0288(9) 0.0316(10) -0.0079(7) -0.0070(7) -0.0020(7)
N2 0.0278(9) 0.0288(8) 0.0296(10) -0.0106(7) -0.0053(7) -0.0015(7)
N3 0.0335(10) 0.0308(10) 0.0360(11) -0.0040(8) -0.0050(8) 0.0034(8)
C1 0.0287(11) 0.0341(12) 0.0403(14) -0.0048(9) -0.0041(9) -0.0045(9)
C2 0.0312(11) 0.0370(13) 0.0457(15) -0.0036(11) -0.0022(10) -0.0044(9)
C3 0.0369(12) 0.0310(11) 0.0388(14) -0.0035(10) -0.0051(10) -0.0041(9)
C4 0.0342(11) 0.0296(10) 0.0339(12) -0.0074(8) -0.0095(9) -0.0002(8)
C5 0.0314(10) 0.0271(9) 0.0288(11) -0.0078(8) -0.0096(8) -0.0003(8)
C6 0.0319(10) 0.0305(10) 0.0269(10) -0.0110(8) -0.0089(8) 0.0021(8)
C7 0.0382(12) 0.0341(12) 0.0331(12) -0.0088(9) -0.0086(9) 0.0081(9)
C8 0.0354(12) 0.0436(14) 0.0409(14) -0.0150(11) -0.0045(10) 0.0111(10)
C9 0.0368(13) 0.0438(14) 0.0433(15) -0.0118(11) 0.0047(11) 0.0080(11)
C10 0.0381(13) 0.0356(12) 0.0374(13) -0.0075(10) 0.0028(10) 0.0056(9)
C11 0.0275(10) 0.0321(10) 0.0289(11) -0.0117(8) -0.0059(8) 0.0018(8)
C12 0.0293(11) 0.0340(11) 0.0420(14) -0.0113(10) 0.0031(9) 0.0005(9)
C13 0.0353(12) 0.0359(12) 0.0386(14) -0.0080(10) 0.0048(10) -0.0011(9)
C14 0.0363(11) 0.0313(11) 0.0307(12) -0.0088(9) 0.0008(9) -0.0036(8)
C15 0.0279(9) 0.0296(10) 0.0274(11) -0.0110(8) -0.0057(8) 0.0007(7)
C16 0.0323(11) 0.0280(10) 0.0332(12) -0.0092(8) -0.0070(9) 0.0010(8)
C17 0.0262(10) 0.0321(11) 0.0420(13) -0.0141(9) -0.0036(9) 0.0004(8)
C18 0.0276(10) 0.0308(11) 0.0443(14) -0.0125(9) -0.0003(9) -0.0017(8)
C19 0.0273(10) 0.0274(10) 0.0330(11) -0.0110(8) -0.0037(8) -0.0030(7)
C20 0.0260(9) 0.0262(9) 0.0255(10) -0.0113(7) -0.0053(7) -0.0013(7)
C21 0.0403(13) 0.0296(11) 0.0319(12) -0.0026(9) -0.0076(10) -0.0014(9)
C22 0.0399(13) 0.0313(11) 0.0386(14) -0.0041(10) -0.0095(11) 0.0014(9)
C23 0.0420(13) 0.0310(11) 0.0320(12) -0.0065(9) -0.0078(10) -0.0006(9)
C24 0.0444(14) 0.0345(12) 0.0414(15) -0.0076(10) -0.0098(12) 0.0023(10)
C25 0.0576(17) 0.0344(12) 0.0407(15) -0.0103(11) -0.0175(13) 0.0088(11)
C26 0.077(2) 0.064(2) 0.065(2) -0.0230(19) -0.029(2) 0.0358(19)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt C11 1.988(2) . ?
Pt N1 1.989(2) . ?
Pt N2 2.028(2) . ?
Pt O1 2.0969(18) . ?
O1 C19 1.289(3) . ?
O2 N3 1.218(3) . ?
O3 N3 1.230(3) . ?
O4 C4 1.364(3) . ?
O4 C21 1.441(3) . ?
N1 C1 1.356(3) . ?
N1 C5 1.360(3) . ?
N2 C12 1.324(3) . ?
N2 C20 1.388(3) . ?
N3 C16 1.446(3) . ?
C1 C2 1.373(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.406(3) . ?
C5 C6 1.465(3) . ?
C6 C7 1.401(3) . ?
C6 C11 1.425(3) . ?
C7 C8 1.385(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.375(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.399(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.399(4) . ?
C10 H10 0.9500 . ?
C12 C13 1.399(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.367(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.413(3) . ?
C14 H14 0.9500 . ?
C15 C20 1.418(3) . ?
C15 C16 1.422(3) . ?
C16 C17 1.400(3) . ?
C17 C18 1.369(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.400(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.436(3) . ?
C21 C22 1.514(4) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.528(3) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.522(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.505(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.519(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Pt N1 80.32(10) . . ?
C11 Pt N2 105.86(9) . . ?
N1 Pt N2 173.55(8) . . ?
C11 Pt O1 174.38(8) . . ?
N1 Pt O1 94.16(8) . . ?
N2 Pt O1 79.69(8) . . ?
C19 O1 Pt 112.97(15) . . ?
C4 O4 C21 118.8(2) . . ?
C1 N1 C5 121.0(2) . . ?
C1 N1 Pt 120.95(17) . . ?
C5 N1 Pt 117.96(17) . . ?
C12 N2 C20 118.1(2) . . ?
C12 N2 Pt 128.36(18) . . ?
C20 N2 Pt 113.49(15) . . ?
O2 N3 O3 121.2(2) . . ?
O2 N3 C16 121.0(2) . . ?
O3 N3 C16 117.9(2) . . ?
N1 C1 C2 121.4(2) . . ?
N1 C1 H1 119.3 . . ?
C2 C1 H1 119.3 . . ?
C1 C2 C3 119.4(3) . . ?
C1 C2 H2 120.3 . . ?
C3 C2 H2 120.3 . . ?
C4 C3 C2 119.1(2) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
O4 C4 C3 124.2(2) . . ?
O4 C4 C5 115.5(2) . . ?
C3 C4 C5 120.3(2) . . ?
N1 C5 C4 118.8(2) . . ?
N1 C5 C6 112.7(2) . . ?
C4 C5 C6 128.5(2) . . ?
C7 C6 C11 121.3(2) . . ?
C7 C6 C5 124.9(2) . . ?
C11 C6 C5 113.8(2) . . ?
C8 C7 C6 120.5(2) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C9 C8 C7 119.4(2) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 120.4(3) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 122.5(3) . . ?
C11 C10 H10 118.8 . . ?
C9 C10 H10 118.8 . . ?
C10 C11 C6 115.7(2) . . ?
C10 C11 Pt 129.56(19) . . ?
C6 C11 Pt 114.72(17) . . ?
N2 C12 C13 122.5(2) . . ?
N2 C12 H12 118.7 . . ?
C13 C12 H12 118.7 . . ?
C14 C13 C12 120.5(2) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 119.2(2) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C20 117.3(2) . . ?
C14 C15 C16 126.7(2) . . ?
C20 C15 C16 115.9(2) . . ?
C17 C16 C15 120.7(2) . . ?
C17 C16 N3 117.5(2) . . ?
C15 C16 N3 121.8(2) . . ?
C18 C17 C16 122.4(2) . . ?
C18 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
C17 C18 C19 120.1(2) . . ?
C17 C18 H18 119.9 . . ?
C19 C18 H18 119.9 . . ?
O1 C19 C18 123.4(2) . . ?
O1 C19 C20 118.8(2) . . ?
C18 C19 C20 117.8(2) . . ?
N2 C20 C15 122.1(2) . . ?
N2 C20 C19 114.9(2) . . ?
C15 C20 C19 123.0(2) . . ?
O4 C21 C22 105.0(2) . . ?
O4 C21 H21A 110.7 . . ?
C22 C21 H21A 110.7 . . ?
O4 C21 H21B 110.7 . . ?
C22 C21 H21B 110.7 . . ?
H21A C21 H21B 108.8 . . ?
C21 C22 C23 112.6(2) . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
C23 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
C24 C23 C22 111.9(2) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C25 C24 C23 114.8(2) . . ?
C25 C24 H24A 108.6 . . ?
C23 C24 H24A 108.6 . . ?
C25 C24 H24B 108.6 . . ?
C23 C24 H24B 108.6 . . ?
H24A C24 H24B 107.5 . . ?
C24 C25 C26 113.0(3) . . ?
C24 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Pt O1 C19 179.02(18) . . . . ?
N2 Pt O1 C19 -2.93(17) . . . . ?
C11 Pt N1 C1 176.7(2) . . . . ?
O1 Pt N1 C1 -2.2(2) . . . . ?
C11 Pt N1 C5 -6.42(19) . . . . ?
O1 Pt N1 C5 174.66(18) . . . . ?
C11 Pt N2 C12 8.2(3) . . . . ?
O1 Pt N2 C12 -172.7(2) . . . . ?
C11 Pt N2 C20 -174.88(16) . . . . ?
O1 Pt N2 C20 4.20(16) . . . . ?
C5 N1 C1 C2 -0.7(4) . . . . ?
Pt N1 C1 C2 176.1(2) . . . . ?
N1 C1 C2 C3 -0.3(5) . . . . ?
C1 C2 C3 C4 0.5(5) . . . . ?
C21 O4 C4 C3 -5.0(4) . . . . ?
C21 O4 C4 C5 175.9(2) . . . . ?
C2 C3 C4 O4 -178.8(3) . . . . ?
C2 C3 C4 C5 0.3(4) . . . . ?
C1 N1 C5 C4 1.5(4) . . . . ?
Pt N1 C5 C4 -175.39(18) . . . . ?
C1 N1 C5 C6 -177.7(2) . . . . ?
Pt N1 C5 C6 5.4(3) . . . . ?
O4 C4 C5 N1 177.9(2) . . . . ?
C3 C4 C5 N1 -1.2(4) . . . . ?
O4 C4 C5 C6 -3.0(4) . . . . ?
C3 C4 C5 C6 177.8(3) . . . . ?
N1 C5 C6 C7 177.5(2) . . . . ?
C4 C5 C6 C7 -1.6(4) . . . . ?
N1 C5 C6 C11 -0.3(3) . . . . ?
C4 C5 C6 C11 -179.4(2) . . . . ?
C11 C6 C7 C8 0.9(4) . . . . ?
C5 C6 C7 C8 -176.7(3) . . . . ?
C6 C7 C8 C9 3.4(5) . . . . ?
C7 C8 C9 C10 -3.2(5) . . . . ?
C8 C9 C10 C11 -1.4(5) . . . . ?
C9 C10 C11 C6 5.5(4) . . . . ?
C9 C10 C11 Pt -177.5(2) . . . . ?
C7 C6 C11 C10 -5.2(4) . . . . ?
C5 C6 C11 C10 172.7(2) . . . . ?
C7 C6 C11 Pt 177.3(2) . . . . ?
C5 C6 C11 Pt -4.8(3) . . . . ?
N1 Pt C11 C10 -171.2(3) . . . . ?
N2 Pt C11 C10 10.7(3) . . . . ?
N1 Pt C11 C6 5.93(18) . . . . ?
N2 Pt C11 C6 -172.20(17) . . . . ?
C20 N2 C12 C13 5.2(4) . . . . ?
Pt N2 C12 C13 -178.0(2) . . . . ?
N2 C12 C13 C14 -1.1(5) . . . . ?
C12 C13 C14 C15 -3.0(4) . . . . ?
C13 C14 C15 C20 2.7(4) . . . . ?
C13 C14 C15 C16 -174.0(3) . . . . ?
C14 C15 C16 C17 174.2(3) . . . . ?
C20 C15 C16 C17 -2.5(4) . . . . ?
C14 C15 C16 N3 -5.8(4) . . . . ?
C20 C15 C16 N3 177.5(2) . . . . ?
O2 N3 C16 C17 171.2(3) . . . . ?
O3 N3 C16 C17 -8.3(4) . . . . ?
O2 N3 C16 C15 -8.8(4) . . . . ?
O3 N3 C16 C15 171.7(3) . . . . ?
C15 C16 C17 C18 2.0(4) . . . . ?
N3 C16 C17 C18 -178.0(2) . . . . ?
C16 C17 C18 C19 0.3(4) . . . . ?
Pt O1 C19 C18 -179.9(2) . . . . ?
Pt O1 C19 C20 1.1(3) . . . . ?
C17 C18 C19 O1 179.2(2) . . . . ?
C17 C18 C19 C20 -1.8(4) . . . . ?
C12 N2 C20 C15 -5.4(3) . . . . ?
Pt N2 C20 C15 177.35(17) . . . . ?
C12 N2 C20 C19 172.4(2) . . . . ?
Pt N2 C20 C19 -4.9(2) . . . . ?
C14 C15 C20 N2 1.5(3) . . . . ?
C16 C15 C20 N2 178.5(2) . . . . ?
C14 C15 C20 C19 -176.1(2) . . . . ?
C16 C15 C20 C19 0.9(3) . . . . ?
O1 C19 C20 N2 2.5(3) . . . . ?
C18 C19 C20 N2 -176.5(2) . . . . ?
O1 C19 C20 C15 -179.8(2) . . . . ?
C18 C19 C20 C15 1.2(4) . . . . ?
C4 O4 C21 C22 -178.0(2) . . . . ?
O4 C21 C22 C23 176.0(2) . . . . ?
C21 C22 C23 C24 -179.1(2) . . . . ?
C22 C23 C24 C25 178.5(3) . . . . ?
C23 C24 C25 C26 179.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        29.99
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.419
_refine_diff_density_min         -1.157
_refine_diff_density_rms         0.093

#===END