# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Dr Sirous Jamali'
_publ_contact_author_email       sjamali@sharif.ir

_publ_section_title              
;
Synthesis, Structure and Photophysical
Properties of Binuclear Methylplatinum Complexes
Containing Cyclometalating 2-Phenylpyridine or Benzo{h}quinoline Ligands:
A Comparison of Intramolecular Pt-Pt and p-p Interactions
;

# Attachment '1a.cif'

#TrackingRef '1a.cif'

# start Validation Reply Form

_vrf_REFLT03_a                   
;
PROBLEM: Reflection count < 85% complete (theta max?)
RESPONSE: The quality of the crystal was not optimal and it
was weakly diffracting. Although recrystallization was attempted
repeatedly, better crystals were not obtained.
;
_vrf_PLAT022_a                   
;
PROBLEM: Ratio Unique / Expected Reflections too Low .... 0.48
RESPONSE: The quality of the crystal was not optimal and it
was weakly diffracting. Although recrystallization was attempted
repeatedly, better crystals were not obtained.
;
_vrf_PLAT029_a                   
;
PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.48
RESPONSE: The quality of the crystal was not optimal and it
was weakly diffracting. Although recrystallization was attempted
repeatedly, better crystals were not obtained.
;
loop_
_publ_author_name
S.Jamali
R.Kia
R.Czerwieniec
M.Zabel
Z.Jamshidi
# end Validation Reply Form
#========================================================================

data_a
_database_code_depnum_ccdc_archive 'CCDC 814825'
#TrackingRef '1a.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H43 N2 P2 Pt2'
_chemical_formula_sum            'C49 H43 N2 P2 Pt2'
_chemical_formula_weight         1111.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2

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

_cell_length_a                   9.5031(19)
_cell_length_b                   11.975(2)
_cell_length_c                   18.978(4)
_cell_angle_alpha                101.34(3)
_cell_angle_beta                 90.10(3)
_cell_angle_gamma                109.02(3)
_cell_volume                     1996.9(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9792
_cell_measurement_theta_min      2.3792
_cell_measurement_theta_max      62.0659

_exptl_crystal_description       plate
_exptl_crystal_colour            orange-red
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1074
_exptl_absorpt_coefficient_mu    13.956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2454
_exptl_absorpt_correction_T_max  0.7677
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini Ultra'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean 10.5431
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        .
_diffrn_reflns_number            6658
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         4.76
_diffrn_reflns_theta_max         62.09
_reflns_number_total             3044
_reflns_number_gt                2461
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-05-2006 CrysAlis171 .NET)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
;
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 2003)'

_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^)+(0.0665P)^2^] 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         3044
_refine_ls_number_parameters     474
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0903
_refine_ls_wR_factor_gt          0.0863
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      0.983
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.23874(4) 0.07606(3) 0.33256(2) 0.01544(15) Uani 1 1 d . . .
Pt1A Pt 0.32215(5) 0.06703(3) 0.17357(2) 0.01921(16) Uani 1 1 d . . .
P1 P 0.2271(3) -0.1200(2) 0.31584(13) 0.0165(5) Uani 1 1 d . . .
P1A P 0.1681(3) -0.1307(2) 0.14875(13) 0.0187(6) Uani 1 1 d . . .
N1 N 0.4609(11) 0.1751(8) 0.3689(5) 0.020(2) Uani 1 1 d . . .
N1A N 0.1830(10) 0.1740(7) 0.1657(4) 0.020(2) Uani 1 1 d . . .
C1 C 0.0138(12) 0.0039(9) 0.3072(5) 0.024(2) Uani 1 1 d . . .
H1A H -0.0391 0.0247 0.3494 0.036 Uiso 1 1 calc R . .
H1B H -0.0148 -0.0842 0.2925 0.036 Uiso 1 1 calc R . .
H1C H -0.0125 0.0365 0.2675 0.036 Uiso 1 1 calc R . .
C1A C 0.4946(12) -0.0033(9) 0.1750(6) 0.024(2) Uani 1 1 d . . .
H1AA H 0.5733 0.0359 0.1459 0.035 Uiso 1 1 calc R . .
H1AB H 0.4565 -0.0904 0.1551 0.035 Uiso 1 1 calc R . .
H1AC H 0.5353 0.0113 0.2247 0.035 Uiso 1 1 calc R . .
C2 C 0.1723(19) -0.2117(14) 0.2226(9) 0.024(2) Uani 1 1 d . . .
H2A H 0.1473 -0.2971 0.2130 0.029 Uiso 1 1 calc R . .
C3 C 0.5760(12) 0.1293(10) 0.3727(5) 0.021(2) Uani 1 1 d . . .
H3A H 0.5598 0.0467 0.3520 0.026 Uiso 1 1 calc R . .
C3A C 0.0370(13) 0.1330(10) 0.1498(5) 0.027(3) Uani 1 1 d . . .
H3AA H -0.0144 0.0491 0.1454 0.032 Uiso 1 1 calc R . .
C4 C 0.7156(15) 0.2017(11) 0.4063(7) 0.026(3) Uani 1 1 d . . .
H4A H 0.7931 0.1680 0.4076 0.032 Uiso 1 1 calc R . .
C4A C -0.0435(16) 0.2047(13) 0.1394(8) 0.034(3) Uani 1 1 d . . .
H4AA H -0.1486 0.1714 0.1293 0.040 Uiso 1 1 calc R . .
C5 C 0.7419(13) 0.3194(10) 0.4372(6) 0.029(3) Uani 1 1 d . . .
H5A H 0.8350 0.3677 0.4625 0.034 Uiso 1 1 calc R . .
C5A C 0.0305(15) 0.3283(11) 0.1437(7) 0.035(3) Uani 1 1 d . . .
H5AA H -0.0204 0.3797 0.1325 0.042 Uiso 1 1 calc R . .
C6 C 0.6304(12) 0.3667(9) 0.4308(5) 0.0220(16) Uani 1 1 d . . .
H6A H 0.6477 0.4498 0.4504 0.026 Uiso 1 1 calc R . .
C6A C 0.1798(15) 0.3715(11) 0.1648(7) 0.036(3) Uani 1 1 d . . .
H6AA H 0.2332 0.4556 0.1717 0.044 Uiso 1 1 calc R . .
C7 C 0.4931(12) 0.2956(9) 0.3964(5) 0.0220(16) Uani 1 1 d . . .
C7A C 0.2539(14) 0.2926(10) 0.1764(5) 0.026(3) Uani 1 1 d . . .
C8 C 0.3667(12) 0.3385(8) 0.3837(5) 0.0189(13) Uani 1 1 d . . .
C8A C 0.4125(14) 0.3291(10) 0.1997(6) 0.030(3) Uani 1 1 d . . .
C9 C 0.2277(12) 0.2466(9) 0.3510(5) 0.0189(13) Uani 1 1 d . . .
C9A C 0.4736(11) 0.2372(10) 0.1992(5) 0.021(2) Uani 1 1 d . . .
C10 C 0.1137(13) 0.2863(10) 0.3377(5) 0.027(3) Uani 1 1 d . . .
H10A H 0.0201 0.2290 0.3179 0.032 Uiso 1 1 calc R . .
C10A C 0.6241(13) 0.2743(10) 0.2243(6) 0.027(3) Uani 1 1 d . . .
H10B H 0.6679 0.2139 0.2259 0.032 Uiso 1 1 calc R . .
C11 C 0.1304(12) 0.4093(9) 0.3525(5) 0.0189(13) Uani 1 1 d . . .
H11A H 0.0481 0.4337 0.3425 0.023 Uiso 1 1 calc R . .
C11A C 0.7126(13) 0.3944(10) 0.2468(6) 0.029(3) Uani 1 1 d . . .
H11B H 0.8149 0.4152 0.2620 0.035 Uiso 1 1 calc R . .
C12 C 0.2631(14) 0.4952(10) 0.3810(6) 0.032(3) Uani 1 1 d . . .
H12A H 0.2732 0.5784 0.3899 0.038 Uiso 1 1 calc R . .
C12A C 0.6486(15) 0.4840(11) 0.2469(6) 0.034(3) Uani 1 1 d . . .
H12B H 0.7063 0.5667 0.2635 0.040 Uiso 1 1 calc R . .
C13 C 0.3817(12) 0.4600(9) 0.3967(5) 0.024(2) Uani 1 1 d . . .
H13A H 0.4741 0.5192 0.4164 0.029 Uiso 1 1 calc R . .
C13A C 0.5002(13) 0.4516(10) 0.2225(6) 0.030(3) Uani 1 1 d . . .
H13B H 0.4572 0.5125 0.2211 0.036 Uiso 1 1 calc R . .
C21 C 0.0919(12) -0.2002(9) 0.3737(6) 0.024(2) Uani 1 1 d . . .
C21A C -0.0303(13) -0.1784(9) 0.1165(6) 0.022(2) Uani 1 1 d . . .
C22 C 0.0642(11) -0.1337(8) 0.4368(5) 0.016(2) Uani 1 1 d . . .
H22A H 0.1060 -0.0481 0.4461 0.020 Uiso 1 1 calc R . .
C22A C -0.0605(14) -0.1505(11) 0.0527(6) 0.032(3) Uani 1 1 d . . .
H22B H 0.0187 -0.1059 0.0284 0.039 Uiso 1 1 calc R . .
C23 C -0.0225(15) -0.1879(11) 0.4871(6) 0.026(3) Uani 1 1 d . . .
H23A H -0.0326 -0.1414 0.5322 0.031 Uiso 1 1 calc R . .
C23A C -0.2064(14) -0.1870(13) 0.0236(7) 0.041(3) Uani 1 1 d . . .
H23B H -0.2259 -0.1661 -0.0203 0.049 Uiso 1 1 calc R . .
C24 C -0.0958(11) -0.3142(8) 0.4698(5) 0.019(2) Uani 1 1 d . . .
H24A H -0.1595 -0.3536 0.5024 0.023 Uiso 1 1 calc R . .
C24A C -0.3247(16) -0.2535(13) 0.0575(8) 0.044(4) Uani 1 1 d . . .
H24B H -0.4246 -0.2783 0.0377 0.053 Uiso 1 1 calc R . .
C25 C -0.0737(12) -0.3794(9) 0.4050(6) 0.024(2) Uani 1 1 d . . .
H25A H -0.1221 -0.4644 0.3933 0.029 Uiso 1 1 calc R . .
C25A C -0.2924(15) -0.2821(14) 0.1203(7) 0.045(3) Uani 1 1 d . . .
H25B H -0.3723 -0.3278 0.1439 0.054 Uiso 1 1 calc R . .
C26 C 0.0183(12) -0.3231(9) 0.3566(6) 0.023(2) Uani 1 1 d . . .
H26A H 0.0304 -0.3692 0.3116 0.027 Uiso 1 1 calc R . .
C26A C -0.1489(13) -0.2476(11) 0.1515(7) 0.029(3) Uani 1 1 d . . .
H26B H -0.1303 -0.2698 0.1951 0.035 Uiso 1 1 calc R . .
C27 C 0.3869(12) -0.1619(9) 0.3419(5) 0.016(2) Uani 1 1 d . . .
C27A C 0.2244(12) -0.2256(10) 0.0734(6) 0.021(2) Uani 1 1 d . . .
C28 C 0.4246(12) -0.1434(10) 0.4152(6) 0.024(2) Uani 1 1 d . . .
H28A H 0.3610 -0.1201 0.4493 0.029 Uiso 1 1 calc R . .
C28A C 0.3142(13) -0.1691(12) 0.0226(6) 0.033(3) Uani 1 1 d . . .
H28B H 0.3471 -0.0836 0.0291 0.039 Uiso 1 1 calc R . .
C29 C 0.5541(13) -0.1585(10) 0.4391(6) 0.030(3) Uani 1 1 d . . .
H29A H 0.5796 -0.1458 0.4891 0.036 Uiso 1 1 calc R . .
C29A C 0.3551(17) -0.2377(15) -0.0368(7) 0.038(4) Uani 1 1 d . . .
H29B H 0.4173 -0.1989 -0.0701 0.046 Uiso 1 1 calc R . .
C30 C 0.6439(16) -0.1921(15) 0.3892(9) 0.043(4) Uani 1 1 d . . .
H30A H 0.7306 -0.2053 0.4056 0.052 Uiso 1 1 calc R . .
C30A C 0.3056(14) -0.3608(12) -0.0472(6) 0.036(3) Uani 1 1 d . . .
H30B H 0.3318 -0.4072 -0.0885 0.044 Uiso 1 1 calc R . .
C31 C 0.6144(13) -0.2075(11) 0.3165(7) 0.028(3) Uani 1 1 d . . .
H31A H 0.6820 -0.2269 0.2834 0.034 Uiso 1 1 calc R . .
C31A C 0.2156(16) -0.4205(13) 0.0028(7) 0.039(3) Uani 1 1 d . . .
H31B H 0.1831 -0.5060 -0.0039 0.047 Uiso 1 1 calc R . .
C32 C 0.4839(13) -0.1943(10) 0.2924(7) 0.027(3) Uani 1 1 d . . .
H32A H 0.4600 -0.2073 0.2421 0.032 Uiso 1 1 calc R . .
C32A C 0.1764(14) -0.3513(11) 0.0615(7) 0.033(3) Uani 1 1 d . . .
H32B H 0.1148 -0.3906 0.0948 0.040 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.0144(3) 0.0171(2) 0.0137(2) 0.00300(16) 0.00194(16) 0.00373(17)
Pt1A 0.0181(3) 0.0245(3) 0.0154(2) 0.00617(17) 0.00370(18) 0.00631(19)
P1 0.0188(15) 0.0183(12) 0.0129(12) 0.0046(10) 0.0045(11) 0.0060(10)
P1A 0.0175(15) 0.0245(13) 0.0129(13) 0.0035(10) 0.0014(11) 0.0057(11)
N1 0.021(6) 0.026(5) 0.011(4) 0.008(4) 0.008(4) 0.001(4)
N1A 0.026(6) 0.023(5) 0.019(5) 0.007(4) 0.011(4) 0.016(4)
C1 0.029(6) 0.024(5) 0.016(5) 0.001(4) -0.003(4) 0.006(5)
C1A 0.014(6) 0.031(6) 0.033(6) 0.008(5) 0.004(5) 0.017(5)
C2 0.021(5) 0.023(4) 0.029(5) 0.006(4) -0.001(4) 0.009(4)
C3 0.018(6) 0.030(6) 0.014(5) 0.009(4) 0.009(4) 0.003(5)
C3A 0.028(7) 0.038(6) 0.017(6) 0.005(5) 0.002(5) 0.014(5)
C4 0.017(8) 0.032(6) 0.020(7) 0.005(5) 0.005(5) -0.005(6)
C4A 0.018(8) 0.049(8) 0.038(9) 0.008(6) 0.002(6) 0.017(7)
C5 0.027(7) 0.032(6) 0.023(6) 0.013(5) 0.005(5) 0.000(5)
C5A 0.041(8) 0.038(7) 0.037(7) 0.014(6) 0.007(6) 0.025(6)
C6 0.021(4) 0.027(4) 0.010(3) 0.001(3) 0.004(3) 0.000(3)
C6A 0.040(8) 0.034(7) 0.038(7) 0.010(5) 0.007(6) 0.015(6)
C7 0.021(4) 0.027(4) 0.010(3) 0.001(3) 0.004(3) 0.000(3)
C7A 0.027(7) 0.037(6) 0.015(5) 0.005(4) 0.009(5) 0.014(5)
C8 0.029(4) 0.019(3) 0.013(3) 0.008(2) 0.011(2) 0.011(3)
C8A 0.038(7) 0.026(6) 0.023(6) 0.008(5) 0.021(5) 0.006(5)
C9 0.029(4) 0.019(3) 0.013(3) 0.008(2) 0.011(2) 0.011(3)
C9A 0.007(6) 0.034(6) 0.017(5) 0.007(4) 0.002(4) -0.002(4)
C10 0.027(7) 0.032(6) 0.015(6) 0.002(4) 0.005(5) 0.004(5)
C10A 0.034(7) 0.031(6) 0.022(6) 0.010(5) 0.006(5) 0.018(5)
C11 0.029(4) 0.019(3) 0.013(3) 0.008(2) 0.011(2) 0.011(3)
C11A 0.022(6) 0.034(6) 0.024(6) 0.004(5) 0.003(5) 0.001(5)
C12 0.052(9) 0.017(5) 0.028(6) 0.004(4) 0.010(6) 0.014(5)
C12A 0.041(9) 0.022(6) 0.030(7) 0.007(5) 0.002(6) 0.000(6)
C13 0.027(6) 0.025(5) 0.014(5) -0.002(4) 0.002(4) 0.003(5)
C13A 0.035(8) 0.025(6) 0.023(6) 0.007(4) 0.005(5) 0.003(5)
C21 0.021(5) 0.023(4) 0.029(5) 0.006(4) -0.001(4) 0.009(4)
C21A 0.016(6) 0.025(5) 0.020(6) -0.004(4) 0.008(5) 0.004(5)
C22 0.021(6) 0.012(4) 0.020(5) 0.010(4) 0.008(4) 0.008(4)
C22A 0.036(8) 0.047(7) 0.014(6) 0.004(5) -0.001(5) 0.016(6)
C23 0.035(8) 0.036(7) 0.007(6) -0.001(5) -0.002(5) 0.015(6)
C23A 0.022(7) 0.066(9) 0.034(7) -0.002(6) -0.013(6) 0.021(6)
C24 0.016(6) 0.019(5) 0.027(6) 0.010(4) 0.005(4) 0.009(4)
C24A 0.024(8) 0.057(9) 0.048(9) -0.007(7) -0.013(7) 0.017(7)
C25 0.029(7) 0.012(5) 0.026(6) 0.001(4) 0.008(5) 0.002(4)
C25A 0.021(7) 0.075(10) 0.046(8) 0.023(7) 0.005(6) 0.018(7)
C26 0.031(7) 0.028(6) 0.007(6) -0.005(4) -0.004(5) 0.014(5)
C26A 0.022(7) 0.040(7) 0.027(7) 0.013(6) 0.002(5) 0.008(6)
C27 0.012(6) 0.018(5) 0.018(5) 0.003(4) -0.004(4) 0.005(4)
C27A 0.012(6) 0.038(6) 0.014(6) 0.002(5) 0.005(4) 0.013(5)
C28 0.021(6) 0.036(6) 0.020(6) 0.008(4) 0.005(5) 0.016(5)
C28A 0.022(7) 0.055(8) 0.019(6) 0.008(6) -0.001(5) 0.009(6)
C29 0.024(7) 0.043(7) 0.024(6) 0.012(5) -0.001(5) 0.009(5)
C29A 0.035(8) 0.090(13) 0.007(6) 0.000(6) 0.003(5) 0.050(8)
C30 0.019(8) 0.057(10) 0.065(11) 0.025(8) -0.002(7) 0.021(8)
C30A 0.033(7) 0.063(9) 0.016(6) -0.005(5) -0.003(5) 0.028(6)
C31 0.014(7) 0.043(7) 0.034(7) 0.010(5) 0.008(5) 0.018(5)
C31A 0.038(8) 0.048(8) 0.028(7) -0.015(6) -0.008(6) 0.022(7)
C32 0.031(7) 0.033(7) 0.020(6) 0.009(5) 0.007(5) 0.012(5)
C32A 0.034(8) 0.036(7) 0.025(7) -0.007(5) 0.007(6) 0.014(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C9 2.041(9) . ?
Pt1 C1 2.044(11) . ?
Pt1 N1 2.093(10) . ?
Pt1 P1 2.272(2) . ?
Pt1 Pt1A 3.1113(9) . ?
Pt1A C9A 2.038(10) . ?
Pt1A C1A 2.074(10) . ?
Pt1A N1A 2.143(9) . ?
Pt1A P1A 2.296(3) . ?
P1 C27 1.842(11) . ?
P1 C21 1.842(11) . ?
P1 C2 1.863(17) . ?
P1A C27A 1.839(11) . ?
P1A C21A 1.847(12) . ?
P1A C2 1.861(17) . ?
N1 C7 1.366(14) . ?
N1 C3 1.382(15) . ?
N1A C3A 1.325(14) . ?
N1A C7A 1.332(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C1A H1AA 0.9800 . ?
C1A H1AB 0.9800 . ?
C1A H1AC 0.9800 . ?
C2 H2A 0.9500 . ?
C3 C4 1.396(16) . ?
C3 H3A 0.9500 . ?
C3A C4A 1.363(19) . ?
C3A H3AA 0.9500 . ?
C4 C5 1.356(18) . ?
C4 H4A 0.9500 . ?
C4A C5A 1.402(19) . ?
C4A H4AA 0.9500 . ?
C5 C6 1.370(17) . ?
C5 H5A 0.9500 . ?
C5A C6A 1.371(18) . ?
C5A H5AA 0.9500 . ?
C6 C7 1.381(15) . ?
C6 H6A 0.9500 . ?
C6A C7A 1.397(17) . ?
C6A H6AA 0.9500 . ?
C7 C8 1.488(16) . ?
C7A C8A 1.467(18) . ?
C8 C13 1.387(14) . ?
C8 C9 1.456(15) . ?
C8A C9A 1.401(17) . ?
C8A C13A 1.409(15) . ?
C9 C10 1.358(16) . ?
C9A C10A 1.404(16) . ?
C10 C11 1.400(15) . ?
C10 H10A 0.9500 . ?
C10A C11A 1.388(15) . ?
C10A H10B 0.9500 . ?
C11 C12 1.369(16) . ?
C11 H11A 0.9500 . ?
C11A C12A 1.395(19) . ?
C11A H11B 0.9500 . ?
C12 C13 1.376(17) . ?
C12 H12A 0.9500 . ?
C12A C13A 1.387(18) . ?
C12A H12B 0.9500 . ?
C13 H13A 0.9500 . ?
C13A H13B 0.9500 . ?
C21 C26 1.378(15) . ?
C21 C22 1.380(15) . ?
C21A C22A 1.370(16) . ?
C21A C26A 1.417(16) . ?
C22 C23 1.381(16) . ?
C22 H22A 0.9500 . ?
C22A C23A 1.388(17) . ?
C22A H22B 0.9500 . ?
C23 C24 1.413(16) . ?
C23 H23A 0.9500 . ?
C23A C24A 1.39(2) . ?
C23A H23B 0.9500 . ?
C24 C25 1.377(14) . ?
C24 H24A 0.9500 . ?
C24A C25A 1.36(2) . ?
C24A H24B 0.9500 . ?
C25 C26 1.388(15) . ?
C25 H25A 0.9500 . ?
C25A C26A 1.383(18) . ?
C25A H25B 0.9500 . ?
C26 H26A 0.9500 . ?
C26A H26B 0.9500 . ?
C27 C28 1.392(15) . ?
C27 C32 1.406(16) . ?
C27A C32A 1.394(16) . ?
C27A C28A 1.413(15) . ?
C28 C29 1.389(16) . ?
C28 H28A 0.9500 . ?
C28A C29A 1.394(17) . ?
C28A H28B 0.9500 . ?
C29 C30 1.37(2) . ?
C29 H29A 0.9500 . ?
C29A C30A 1.37(2) . ?
C29A H29B 0.9500 . ?
C30 C31 1.37(2) . ?
C30 H30A 0.9500 . ?
C30A C31A 1.420(19) . ?
C30A H30B 0.9500 . ?
C31 C32 1.389(17) . ?
C31 H31A 0.9500 . ?
C31A C32A 1.379(17) . ?
C31A H31B 0.9500 . ?
C32 H32A 0.9500 . ?
C32A H32B 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C9 Pt1 C1 90.9(4) . . ?
C9 Pt1 N1 80.3(4) . . ?
C1 Pt1 N1 170.2(4) . . ?
C9 Pt1 P1 174.2(3) . . ?
C1 Pt1 P1 84.1(3) . . ?
N1 Pt1 P1 104.4(3) . . ?
C9 Pt1 Pt1A 96.1(3) . . ?
C1 Pt1 Pt1A 94.8(3) . . ?
N1 Pt1 Pt1A 90.3(2) . . ?
P1 Pt1 Pt1A 87.35(7) . . ?
C9A Pt1A C1A 89.6(4) . . ?
C9A Pt1A N1A 78.8(4) . . ?
C1A Pt1A N1A 166.8(4) . . ?
C9A Pt1A P1A 174.7(3) . . ?
C1A Pt1A P1A 85.4(3) . . ?
N1A Pt1A P1A 106.4(2) . . ?
C9A Pt1A Pt1 91.8(3) . . ?
C1A Pt1A Pt1 99.7(3) . . ?
N1A Pt1A Pt1 86.9(2) . . ?
P1A Pt1A Pt1 87.23(7) . . ?
C27 P1 C21 97.8(5) . . ?
C27 P1 C2 102.1(6) . . ?
C21 P1 C2 105.9(6) . . ?
C27 P1 Pt1 121.6(3) . . ?
C21 P1 Pt1 110.7(3) . . ?
C2 P1 Pt1 116.3(5) . . ?
C27A P1A C21A 96.5(5) . . ?
C27A P1A C2 101.1(6) . . ?
C21A P1A C2 105.6(6) . . ?
C27A P1A Pt1A 113.4(4) . . ?
C21A P1A Pt1A 123.3(4) . . ?
C2 P1A Pt1A 113.6(5) . . ?
C7 N1 C3 116.6(10) . . ?
C7 N1 Pt1 116.8(8) . . ?
C3 N1 Pt1 126.5(7) . . ?
C3A N1A C7A 118.4(10) . . ?
C3A N1A Pt1A 126.3(7) . . ?
C7A N1A Pt1A 115.3(8) . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Pt1A C1A H1AA 109.5 . . ?
Pt1A C1A H1AB 109.5 . . ?
H1AA C1A H1AB 109.5 . . ?
Pt1A C1A H1AC 109.5 . . ?
H1AA C1A H1AC 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
P1A C2 P1 117.8(8) . . ?
P1A C2 H2A 121.1 . . ?
P1 C2 H2A 121.1 . . ?
N1 C3 C4 121.4(11) . . ?
N1 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
N1A C3A C4A 123.5(12) . . ?
N1A C3A H3AA 118.2 . . ?
C4A C3A H3AA 118.2 . . ?
C5 C4 C3 120.8(14) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
C3A C4A C5A 119.2(13) . . ?
C3A C4A H4AA 120.4 . . ?
C5A C4A H4AA 120.4 . . ?
C4 C5 C6 118.0(11) . . ?
C4 C5 H5A 121.0 . . ?
C6 C5 H5A 121.0 . . ?
C6A C5A C4A 116.9(12) . . ?
C6A C5A H5AA 121.6 . . ?
C4A C5A H5AA 121.6 . . ?
C5 C6 C7 121.1(10) . . ?
C5 C6 H6A 119.4 . . ?
C7 C6 H6A 119.4 . . ?
C5A C6A C7A 120.3(12) . . ?
C5A C6A H6AA 119.8 . . ?
C7A C6A H6AA 119.8 . . ?
N1 C7 C6 121.9(11) . . ?
N1 C7 C8 112.5(9) . . ?
C6 C7 C8 125.6(10) . . ?
N1A C7A C6A 121.3(12) . . ?
N1A C7A C8A 113.8(10) . . ?
C6A C7A C8A 124.9(11) . . ?
C13 C8 C9 120.7(10) . . ?
C13 C8 C7 122.4(10) . . ?
C9 C8 C7 116.6(8) . . ?
C9A C8A C13A 121.0(12) . . ?
C9A C8A C7A 117.4(10) . . ?
C13A C8A C7A 121.6(11) . . ?
C10 C9 C8 116.5(9) . . ?
C10 C9 Pt1 130.5(8) . . ?
C8 C9 Pt1 112.9(7) . . ?
C8A C9A C10A 116.2(10) . . ?
C8A C9A Pt1A 114.2(8) . . ?
C10A C9A Pt1A 129.1(9) . . ?
C9 C10 C11 121.7(10) . . ?
C9 C10 H10A 119.1 . . ?
C11 C10 H10A 119.1 . . ?
C11A C10A C9A 123.7(11) . . ?
C11A C10A H10B 118.2 . . ?
C9A C10A H10B 118.2 . . ?
C12 C11 C10 121.3(10) . . ?
C12 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
C10A C11A C12A 118.8(12) . . ?
C10A C11A H11B 120.6 . . ?
C12A C11A H11B 120.6 . . ?
C11 C12 C13 119.5(10) . . ?
C11 C12 H12A 120.3 . . ?
C13 C12 H12A 120.3 . . ?
C13A C12A C11A 119.5(11) . . ?
C13A C12A H12B 120.2 . . ?
C11A C12A H12B 120.2 . . ?
C12 C13 C8 120.2(10) . . ?
C12 C13 H13A 119.9 . . ?
C8 C13 H13A 119.9 . . ?
C12A C13A C8A 120.7(12) . . ?
C12A C13A H13B 119.7 . . ?
C8A C13A H13B 119.7 . . ?
C26 C21 C22 119.0(10) . . ?
C26 C21 P1 122.9(9) . . ?
C22 C21 P1 118.1(7) . . ?
C22A C21A C26A 119.5(11) . . ?
C22A C21A P1A 116.9(9) . . ?
C26A C21A P1A 123.5(9) . . ?
C21 C22 C23 121.9(9) . . ?
C21 C22 H22A 119.1 . . ?
C23 C22 H22A 119.1 . . ?
C21A C22A C23A 120.3(12) . . ?
C21A C22A H22B 119.8 . . ?
C23A C22A H22B 119.8 . . ?
C22 C23 C24 118.5(10) . . ?
C22 C23 H23A 120.7 . . ?
C24 C23 H23A 120.7 . . ?
C22A C23A C24A 121.2(13) . . ?
C22A C23A H23B 119.4 . . ?
C24A C23A H23B 119.4 . . ?
C25 C24 C23 119.1(9) . . ?
C25 C24 H24A 120.4 . . ?
C23 C24 H24A 120.4 . . ?
C25A C24A C23A 117.7(13) . . ?
C25A C24A H24B 121.1 . . ?
C23A C24A H24B 121.1 . . ?
C24 C25 C26 121.1(9) . . ?
C24 C25 H25A 119.4 . . ?
C26 C25 H25A 119.4 . . ?
C24A C25A C26A 123.2(13) . . ?
C24A C25A H25B 118.4 . . ?
C26A C25A H25B 118.4 . . ?
C21 C26 C25 120.0(10) . . ?
C21 C26 H26A 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C25A C26A C21A 118.1(12) . . ?
C25A C26A H26B 120.9 . . ?
C21A C26A H26B 120.9 . . ?
C28 C27 C32 118.7(11) . . ?
C28 C27 P1 117.4(8) . . ?
C32 C27 P1 123.2(8) . . ?
C32A C27A C28A 118.1(11) . . ?
C32A C27A P1A 123.3(8) . . ?
C28A C27A P1A 118.5(9) . . ?
C29 C28 C27 120.8(10) . . ?
C29 C28 H28A 119.6 . . ?
C27 C28 H28A 119.6 . . ?
C29A C28A C27A 120.5(13) . . ?
C29A C28A H28B 119.7 . . ?
C27A C28A H28B 119.7 . . ?
C30 C29 C28 118.7(11) . . ?
C30 C29 H29A 120.7 . . ?
C28 C29 H29A 120.7 . . ?
C30A C29A C28A 120.0(14) . . ?
C30A C29A H29B 120.0 . . ?
C28A C29A H29B 120.0 . . ?
C29 C30 C31 122.8(13) . . ?
C29 C30 H30A 118.6 . . ?
C31 C30 H30A 118.6 . . ?
C29A C30A C31A 120.8(11) . . ?
C29A C30A H30B 119.6 . . ?
C31A C30A H30B 119.6 . . ?
C30 C31 C32 118.7(11) . . ?
C30 C31 H31A 120.7 . . ?
C32 C31 H31A 120.7 . . ?
C32A C31A C30A 118.5(13) . . ?
C32A C31A H31B 120.8 . . ?
C30A C31A H31B 120.8 . . ?
C31 C32 C27 120.3(11) . . ?
C31 C32 H32A 119.8 . . ?
C27 C32 H32A 119.8 . . ?
C31A C32A C27A 122.0(12) . . ?
C31A C32A H32B 119.0 . . ?
C27A C32A H32B 119.0 . . ?

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
C9 Pt1 Pt1A C9A 44.1(4) . . . . ?
C1 Pt1 Pt1A C9A 135.5(4) . . . . ?
N1 Pt1 Pt1A C9A -36.2(4) . . . . ?
P1 Pt1 Pt1A C9A -140.6(3) . . . . ?
C9 Pt1 Pt1A C1A 134.0(4) . . . . ?
C1 Pt1 Pt1A C1A -134.6(4) . . . . ?
N1 Pt1 Pt1A C1A 53.7(4) . . . . ?
P1 Pt1 Pt1A C1A -50.8(3) . . . . ?
C9 Pt1 Pt1A N1A -34.6(4) . . . . ?
C1 Pt1 Pt1A N1A 56.8(4) . . . . ?
N1 Pt1 Pt1A N1A -114.9(4) . . . . ?
P1 Pt1 Pt1A N1A 140.7(2) . . . . ?
C9 Pt1 Pt1A P1A -141.2(3) . . . . ?
C1 Pt1 Pt1A P1A -49.8(3) . . . . ?
N1 Pt1 Pt1A P1A 138.5(3) . . . . ?
P1 Pt1 Pt1A P1A 34.10(10) . . . . ?
C1 Pt1 P1 C27 -169.4(5) . . . . ?
N1 Pt1 P1 C27 5.9(5) . . . . ?
Pt1A Pt1 P1 C27 95.5(4) . . . . ?
C1 Pt1 P1 C21 -55.6(5) . . . . ?
N1 Pt1 P1 C21 119.6(5) . . . . ?
Pt1A Pt1 P1 C21 -150.7(4) . . . . ?
C1 Pt1 P1 C2 65.3(7) . . . . ?
N1 Pt1 P1 C2 -119.5(6) . . . . ?
Pt1A Pt1 P1 C2 -29.8(6) . . . . ?
C1A Pt1A P1A C27A -50.9(5) . . . . ?
N1A Pt1A P1A C27A 123.1(5) . . . . ?
Pt1 Pt1A P1A C27A -150.9(4) . . . . ?
C1A Pt1A P1A C21A -166.5(5) . . . . ?
N1A Pt1A P1A C21A 7.5(5) . . . . ?
Pt1 Pt1A P1A C21A 93.5(4) . . . . ?
C1A Pt1A P1A C2 63.8(7) . . . . ?
N1A Pt1A P1A C2 -122.2(6) . . . . ?
Pt1 Pt1A P1A C2 -36.3(6) . . . . ?
C9 Pt1 N1 C7 8.8(7) . . . . ?
P1 Pt1 N1 C7 -167.8(6) . . . . ?
Pt1A Pt1 N1 C7 104.9(7) . . . . ?
C9 Pt1 N1 C3 -176.4(8) . . . . ?
P1 Pt1 N1 C3 7.1(8) . . . . ?
Pt1A Pt1 N1 C3 -80.3(7) . . . . ?
C9A Pt1A N1A C3A -178.5(9) . . . . ?
C1A Pt1A N1A C3A 153.2(15) . . . . ?
P1A Pt1A N1A C3A 0.2(9) . . . . ?
Pt1 Pt1A N1A C3A -86.0(8) . . . . ?
C9A Pt1A N1A C7A 3.2(7) . . . . ?
C1A Pt1A N1A C7A -25(2) . . . . ?
P1A Pt1A N1A C7A -178.1(6) . . . . ?
Pt1 Pt1A N1A C7A 95.7(7) . . . . ?
C27A P1A C2 P1 146.8(9) . . . . ?
C21A P1A C2 P1 -113.2(9) . . . . ?
Pt1A P1A C2 P1 25.0(11) . . . . ?
C27 P1 C2 P1A -123.1(9) . . . . ?
C21 P1 C2 P1A 135.0(8) . . . . ?
Pt1 P1 C2 P1A 11.6(11) . . . . ?
C7 N1 C3 C4 3.1(14) . . . . ?
Pt1 N1 C3 C4 -171.7(8) . . . . ?
C7A N1A C3A C4A 4.2(16) . . . . ?
Pt1A N1A C3A C4A -174.1(9) . . . . ?
N1 C3 C4 C5 0.8(16) . . . . ?
N1A C3A C4A C5A 1.7(19) . . . . ?
C3 C4 C5 C6 -3.6(16) . . . . ?
C3A C4A C5A C6A -5.8(19) . . . . ?
C4 C5 C6 C7 2.4(15) . . . . ?
C4A C5A C6A C7A 4.2(18) . . . . ?
C3 N1 C7 C6 -4.3(14) . . . . ?
Pt1 N1 C7 C6 171.0(7) . . . . ?
C3 N1 C7 C8 174.7(8) . . . . ?
Pt1 N1 C7 C8 -10.0(11) . . . . ?
C5 C6 C7 N1 1.6(15) . . . . ?
C5 C6 C7 C8 -177.2(9) . . . . ?
C3A N1A C7A C6A -5.8(15) . . . . ?
Pt1A N1A C7A C6A 172.7(8) . . . . ?
C3A N1A C7A C8A 175.0(9) . . . . ?
Pt1A N1A C7A C8A -6.6(11) . . . . ?
C5A C6A C7A N1A 1.5(17) . . . . ?
C5A C6A C7A C8A -179.3(10) . . . . ?
N1 C7 C8 C13 -169.6(9) . . . . ?
C6 C7 C8 C13 9.4(15) . . . . ?
N1 C7 C8 C9 5.4(12) . . . . ?
C6 C7 C8 C9 -175.6(9) . . . . ?
N1A C7A C8A C9A 7.8(13) . . . . ?
C6A C7A C8A C9A -171.5(10) . . . . ?
N1A C7A C8A C13A -171.7(9) . . . . ?
C6A C7A C8A C13A 9.1(17) . . . . ?
C13 C8 C9 C10 -3.2(13) . . . . ?
C7 C8 C9 C10 -178.4(8) . . . . ?
C13 C8 C9 Pt1 176.8(7) . . . . ?
C7 C8 C9 Pt1 1.6(10) . . . . ?
C1 Pt1 C9 C10 -9.4(10) . . . . ?
N1 Pt1 C9 C10 174.8(10) . . . . ?
Pt1A Pt1 C9 C10 85.5(9) . . . . ?
C1 Pt1 C9 C8 170.6(7) . . . . ?
N1 Pt1 C9 C8 -5.2(6) . . . . ?
Pt1A Pt1 C9 C8 -94.5(6) . . . . ?
C13A C8A C9A C10A 1.7(15) . . . . ?
C7A C8A C9A C10A -177.8(9) . . . . ?
C13A C8A C9A Pt1A 174.4(8) . . . . ?
C7A C8A C9A Pt1A -5.0(12) . . . . ?
C1A Pt1A C9A C8A 174.9(8) . . . . ?
N1A Pt1A C9A C8A 1.1(7) . . . . ?
Pt1 Pt1A C9A C8A -85.4(7) . . . . ?
C1A Pt1A C9A C10A -13.5(10) . . . . ?
N1A Pt1A C9A C10A 172.7(10) . . . . ?
Pt1 Pt1A C9A C10A 86.2(9) . . . . ?
C8 C9 C10 C11 2.1(14) . . . . ?
Pt1 C9 C10 C11 -177.9(7) . . . . ?
C8A C9A C10A C11A -1.8(16) . . . . ?
Pt1A C9A C10A C11A -173.3(8) . . . . ?
C9 C10 C11 C12 0.0(15) . . . . ?
C9A C10A C11A C12A 2.0(17) . . . . ?
C10 C11 C12 C13 -1.1(16) . . . . ?
C10A C11A C12A C13A -1.9(17) . . . . ?
C11 C12 C13 C8 -0.1(16) . . . . ?
C9 C8 C13 C12 2.3(14) . . . . ?
C7 C8 C13 C12 177.1(9) . . . . ?
C11A C12A C13A C8A 1.9(17) . . . . ?
C9A C8A C13A C12A -1.8(16) . . . . ?
C7A C8A C13A C12A 177.6(10) . . . . ?
C27 P1 C21 C26 -78.3(10) . . . . ?
C2 P1 C21 C26 26.7(11) . . . . ?
Pt1 P1 C21 C26 153.5(8) . . . . ?
C27 P1 C21 C22 101.5(9) . . . . ?
C2 P1 C21 C22 -153.5(10) . . . . ?
Pt1 P1 C21 C22 -26.6(10) . . . . ?
C27A P1A C21A C22A -63.8(9) . . . . ?
C2 P1A C21A C22A -167.3(9) . . . . ?
Pt1A P1A C21A C22A 59.8(9) . . . . ?
C27A P1A C21A C26A 112.0(10) . . . . ?
C2 P1A C21A C26A 8.6(11) . . . . ?
Pt1A P1A C21A C26A -124.4(9) . . . . ?
C26 C21 C22 C23 7.1(17) . . . . ?
P1 C21 C22 C23 -172.7(9) . . . . ?
C26A C21A C22A C23A 1.7(17) . . . . ?
P1A C21A C22A C23A 177.7(10) . . . . ?
C21 C22 C23 C24 -6.1(18) . . . . ?
C21A C22A C23A C24A -1(2) . . . . ?
C22 C23 C24 C25 2.6(17) . . . . ?
C22A C23A C24A C25A 0(2) . . . . ?
C23 C24 C25 C26 -0.5(17) . . . . ?
C23A C24A C25A C26A 0(2) . . . . ?
C22 C21 C26 C25 -4.7(16) . . . . ?
P1 C21 C26 C25 175.1(9) . . . . ?
C24 C25 C26 C21 1.5(17) . . . . ?
C24A C25A C26A C21A 1(2) . . . . ?
C22A C21A C26A C25A -1.6(18) . . . . ?
P1A C21A C26A C25A -177.3(10) . . . . ?
C21 P1 C27 C28 -50.5(9) . . . . ?
C2 P1 C27 C28 -158.7(9) . . . . ?
Pt1 P1 C27 C28 69.7(9) . . . . ?
C21 P1 C27 C32 139.1(9) . . . . ?
C2 P1 C27 C32 30.9(10) . . . . ?
Pt1 P1 C27 C32 -100.7(9) . . . . ?
C21A P1A C27A C32A -68.1(11) . . . . ?
C2 P1A C27A C32A 39.3(12) . . . . ?
Pt1A P1A C27A C32A 161.2(9) . . . . ?
C21A P1A C27A C28A 108.4(9) . . . . ?
C2 P1A C27A C28A -144.3(10) . . . . ?
Pt1A P1A C27A C28A -22.3(10) . . . . ?
C32 C27 C28 C29 -1.1(16) . . . . ?
P1 C27 C28 C29 -172.0(8) . . . . ?
C32A C27A C28A C29A -1.0(18) . . . . ?
P1A C27A C28A C29A -177.6(10) . . . . ?
C27 C28 C29 C30 0.0(17) . . . . ?
C27A C28A C29A C30A 1.4(19) . . . . ?
C28 C29 C30 C31 2(2) . . . . ?
C28A C29A C30A C31A -2(2) . . . . ?
C29 C30 C31 C32 -3(2) . . . . ?
C29A C30A C31A C32A 1.4(19) . . . . ?
C30 C31 C32 C27 2.1(18) . . . . ?
C28 C27 C32 C31 0.0(16) . . . . ?
P1 C27 C32 C31 170.4(9) . . . . ?
C30A C31A C32A C27A -1(2) . . . . ?
C28A C27A C32A C31A 0.9(18) . . . . ?
P1A C27A C32A C31A 177.3(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.483
_diffrn_reflns_theta_full        62.09
_diffrn_measured_fraction_theta_full 0.483
_refine_diff_density_max         1.412
_refine_diff_density_min         -0.958
_refine_diff_density_rms         0.132
#==================
#END OF CIF

# Attachment '1b.cif'

data_b
_database_code_depnum_ccdc_archive 'CCDC 814826'
#TrackingRef '1b.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C55.28 H44 Cl1.58 N2 P2 Pt2'
_chemical_formula_sum            'C55.28 H44 Cl1.58 N2 P2 Pt2'
_chemical_formula_weight         1244.33

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_Int_Tables_number      15

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

_cell_length_a                   15.9793(2)
_cell_length_b                   18.5039(2)
_cell_length_c                   15.2131(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.4630(10)
_cell_angle_gamma                90.00
_cell_volume                     4498.05(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    30487
_cell_measurement_theta_min      2.3825
_cell_measurement_theta_max      62.8704
_cell_special_details            
;
;

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow

_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.110
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2410
_exptl_absorpt_coefficient_mu    13.317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1759
_exptl_absorpt_correction_T_max  0.3221
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.30.3 (release 12-05-2006 CrysAlis171 .NET)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini Ultra'
_diffrn_measurement_method       '\w scan'
_diffrn_detector_area_resol_mean 10.5431
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            36418
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0106
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.65
_diffrn_reflns_theta_max         62.94
_reflns_number_total             3617
_reflns_number_gt                3544
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.30.3 (release 12-05-2006 CrysAlis171 .NET)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.30.3 (release 12-05-2006 CrysAlis171 .NET)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.30.3 (release 12-05-2006 CrysAlis171 .NET)
;
_computing_structure_solution    'SIR-97 (Altomare, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 2003)'

_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^)+(0.0267P)^2^+29.3340P] 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         3617
_refine_ls_number_parameters     282
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0218
_refine_ls_R_factor_gt           0.0212
_refine_ls_wR_factor_ref         0.0530
_refine_ls_wR_factor_gt          0.0527
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.094062(8) 0.313320(7) 0.176410(9) 0.01043(7) Uani 1 1 d . . .
P1 P 0.02552(5) 0.20683(5) 0.14979(5) 0.01063(17) Uani 1 1 d . . .
N1 N 0.00944(18) 0.39608(16) 0.13481(19) 0.0143(6) Uani 1 1 d . . .
C1 C 0.1927(2) 0.2511(2) 0.2203(2) 0.0201(8) Uani 1 1 d . . .
H1A H 0.2425 0.2620 0.1856 0.030 Uiso 1 1 calc R . .
H1B H 0.1785 0.1998 0.2139 0.030 Uiso 1 1 calc R . .
H1C H 0.2040 0.2618 0.2823 0.030 Uiso 1 1 calc R . .
C2 C 0.0000 0.1541(3) 0.2500 0.0117(10) Uani 1 2 d S . .
H2A H -0.0482 0.1224 0.2361 0.014 Uiso 0.50 1 d PR . .
H2B H 0.0482 0.1224 0.2639 0.014 Uiso 0.50 1 d PR . .
C3 C -0.0679(2) 0.3905(2) 0.1023(2) 0.0197(8) Uani 1 1 d . . .
H3 H -0.0917 0.3437 0.0961 0.024 Uiso 1 1 calc R . .
C4 C -0.1160(3) 0.4506(2) 0.0767(3) 0.0255(9) Uani 1 1 d . . .
H4 H -0.1703 0.4441 0.0523 0.031 Uiso 1 1 calc R . .
C5 C -0.0840(3) 0.5184(2) 0.0873(3) 0.0290(10) Uani 1 1 d . . .
H5 H -0.1158 0.5595 0.0701 0.035 Uiso 1 1 calc R . .
C6 C -0.0040(3) 0.5269(2) 0.1236(3) 0.0249(9) Uani 1 1 d . . .
C7 C 0.0413(2) 0.46438(19) 0.1464(2) 0.0168(8) Uani 1 1 d . . .
C8 C 0.1232(2) 0.4682(2) 0.1849(2) 0.0190(8) Uani 1 1 d . . .
C9 C 0.1639(2) 0.40263(19) 0.2053(2) 0.0152(7) Uani 1 1 d . . .
C10 C 0.2434(2) 0.4091(2) 0.2437(2) 0.0223(8) Uani 1 1 d . . .
H10 H 0.2747 0.3666 0.2564 0.027 Uiso 1 1 calc R . .
C11 C 0.2780(3) 0.4769(2) 0.2640(3) 0.0300(10) Uani 1 1 d . . .
H11 H 0.3316 0.4791 0.2913 0.036 Uiso 1 1 calc R . .
C12 C 0.2371(3) 0.5394(2) 0.2456(3) 0.0333(11) Uani 1 1 d . . .
H12 H 0.2617 0.5845 0.2609 0.040 Uiso 1 1 calc R . .
C13 C 0.1577(3) 0.5373(2) 0.2034(3) 0.0280(10) Uani 1 1 d . . .
C14 C 0.1112(3) 0.5999(2) 0.1804(3) 0.0355(11) Uani 1 1 d . . .
H14 H 0.1344 0.6462 0.1923 0.043 Uiso 1 1 calc R . .
C15 C 0.0349(3) 0.5958(2) 0.1421(3) 0.0350(11) Uani 1 1 d . . .
H15 H 0.0062 0.6391 0.1269 0.042 Uiso 1 1 calc R . .
C21 C 0.0900(2) 0.1423(2) 0.0875(2) 0.0155(7) Uani 1 1 d . . .
C22 C 0.1570(2) 0.1687(2) 0.0376(3) 0.0234(8) Uani 1 1 d . . .
H22 H 0.1710 0.2185 0.0399 0.028 Uiso 1 1 calc R . .
C23 C 0.2025(3) 0.1223(2) -0.0151(3) 0.0288(9) Uani 1 1 d . . .
H23 H 0.2481 0.1405 -0.0482 0.035 Uiso 1 1 calc R . .
C24 C 0.1822(3) 0.0503(2) -0.0197(3) 0.0282(9) Uani 1 1 d . . .
H24 H 0.2136 0.0188 -0.0561 0.034 Uiso 1 1 calc R . .
C25 C 0.1160(3) 0.0236(2) 0.0288(3) 0.0262(9) Uani 1 1 d . . .
H25 H 0.1020 -0.0263 0.0256 0.031 Uiso 1 1 calc R . .
C26 C 0.0699(2) 0.0695(2) 0.0820(2) 0.0190(8) Uani 1 1 d . . .
H26 H 0.0243 0.0509 0.1148 0.023 Uiso 1 1 calc R . .
C27 C -0.0683(2) 0.19786(18) 0.0792(2) 0.0129(7) Uani 1 1 d . . .
C28 C -0.0626(3) 0.2273(2) -0.0048(3) 0.0240(9) Uani 1 1 d . . .
H28 H -0.0148 0.2549 -0.0203 0.029 Uiso 1 1 calc R . .
C29 C -0.1264(3) 0.2167(2) -0.0662(3) 0.0276(9) Uani 1 1 d . . .
H29 H -0.1209 0.2356 -0.1239 0.033 Uiso 1 1 calc R . .
C30 C -0.1972(3) 0.1791(2) -0.0439(3) 0.0241(9) Uani 1 1 d . . .
H30 H -0.2411 0.1727 -0.0857 0.029 Uiso 1 1 calc R . .
C31 C -0.2043(2) 0.1506(2) 0.0394(3) 0.0227(8) Uani 1 1 d . . .
H31 H -0.2534 0.1250 0.0552 0.027 Uiso 1 1 calc R . .
C32 C -0.1398(2) 0.1593(2) 0.1005(2) 0.0175(7) Uani 1 1 d . . .
H32 H -0.1447 0.1386 0.1574 0.021 Uiso 1 1 calc R . .
Cl2 Cl 0.0000 0.0910(3) 0.7500 0.0860(18) Uiso 0.60 2 d SP . .
C38 C 0.0405(7) 0.1312(6) 0.8248(8) 0.053(3) Uiso 0.53 1 d P . .
C39 C 0.0196(5) 0.0994(5) 0.7819(7) 0.0349(17) Uiso 0.61 1 d P . .
Cl1 Cl 0.06228(16) 0.22447(15) 0.80704(17) 0.0474(6) Uiso 0.49 1 d P . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.01410(10) 0.00767(10) 0.00956(9) 0.00017(5) 0.00235(6) -0.00230(5)
P1 0.0154(4) 0.0076(4) 0.0090(4) -0.0003(3) 0.0028(3) 0.0000(3)
N1 0.0190(15) 0.0118(15) 0.0124(14) 0.0013(11) 0.0062(12) 0.0026(12)
C1 0.0208(19) 0.0181(19) 0.0215(19) 0.0038(16) -0.0035(15) 0.0010(15)
C2 0.016(2) 0.009(2) 0.010(2) 0.000 0.0003(18) 0.000
C3 0.025(2) 0.019(2) 0.0158(18) -0.0034(15) 0.0030(15) 0.0022(16)
C4 0.028(2) 0.029(2) 0.020(2) -0.0006(17) 0.0026(16) 0.0109(18)
C5 0.043(3) 0.025(2) 0.019(2) 0.0063(17) 0.0141(18) 0.0169(19)
C6 0.039(2) 0.016(2) 0.0200(19) 0.0018(16) 0.0170(17) 0.0068(17)
C7 0.029(2) 0.0094(17) 0.0123(17) 0.0004(14) 0.0138(15) 0.0009(15)
C8 0.028(2) 0.0156(19) 0.0139(18) -0.0041(15) 0.0123(15) -0.0082(16)
C9 0.0223(18) 0.0131(18) 0.0103(17) -0.0018(14) 0.0072(14) -0.0082(15)
C10 0.0221(19) 0.027(2) 0.0176(19) -0.0035(16) 0.0034(15) -0.0104(16)
C11 0.028(2) 0.040(3) 0.023(2) -0.0098(19) 0.0083(17) -0.018(2)
C12 0.041(3) 0.030(2) 0.029(2) -0.0144(19) 0.0197(19) -0.029(2)
C13 0.043(2) 0.017(2) 0.024(2) -0.0075(16) 0.0239(18) -0.0145(18)
C14 0.055(3) 0.011(2) 0.041(3) -0.0072(18) 0.028(2) -0.011(2)
C15 0.059(3) 0.0093(19) 0.037(3) 0.0026(17) 0.026(2) 0.0033(19)
C21 0.0193(18) 0.0165(18) 0.0107(17) -0.0018(14) 0.0010(14) 0.0032(15)
C22 0.027(2) 0.022(2) 0.021(2) -0.0001(17) 0.0074(16) -0.0010(17)
C23 0.031(2) 0.032(2) 0.024(2) -0.0030(18) 0.0131(17) 0.0045(19)
C24 0.032(2) 0.032(2) 0.021(2) -0.0050(18) 0.0045(17) 0.0165(19)
C25 0.035(2) 0.019(2) 0.025(2) -0.0074(17) -0.0030(17) 0.0105(17)
C26 0.0219(18) 0.0171(19) 0.0180(18) -0.0017(15) 0.0018(15) 0.0023(15)
C27 0.0189(18) 0.0091(16) 0.0108(17) -0.0015(13) -0.0013(14) 0.0026(14)
C28 0.030(2) 0.021(2) 0.021(2) 0.0059(16) -0.0024(16) -0.0059(17)
C29 0.044(3) 0.027(2) 0.0114(18) 0.0053(16) -0.0068(17) 0.0043(19)
C30 0.029(2) 0.024(2) 0.020(2) -0.0057(16) -0.0094(17) 0.0085(17)
C31 0.0181(19) 0.028(2) 0.022(2) -0.0058(17) -0.0014(15) 0.0017(16)
C32 0.0219(19) 0.0187(19) 0.0118(17) -0.0004(15) 0.0026(14) 0.0012(15)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C9 2.040(3) . ?
Pt1 C1 2.059(4) . ?
Pt1 N1 2.136(3) . ?
Pt1 P1 2.2889(9) . ?
P1 C27 1.845(4) . ?
P1 C21 1.845(4) . ?
P1 C2 1.858(3) . ?
N1 C3 1.332(5) . ?
N1 C7 1.373(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 P1 1.858(3) 2 ?
C2 H2A 0.9896 . ?
C2 H2B 0.9896 . ?
C3 C4 1.404(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.364(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.407(5) . ?
C6 C15 1.445(6) . ?
C7 C8 1.431(6) . ?
C8 C9 1.411(5) . ?
C8 C13 1.419(5) . ?
C9 C10 1.400(5) . ?
C10 C11 1.405(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.355(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.418(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.420(7) . ?
C14 C15 1.348(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C21 C26 1.387(5) . ?
C21 C22 1.405(5) . ?
C22 C23 1.384(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(5) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.388(5) . ?
C27 C28 1.393(5) . ?
C28 C29 1.390(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.373(6) . ?
C29 H29 0.9500 . ?
C30 C31 1.378(6) . ?
C30 H30 0.9500 . ?
C31 C32 1.391(5) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
Cl2 C39 0.596(11) 2_556 ?
Cl2 C39 0.596(11) . ?
Cl2 C38 1.501(12) . ?
Cl2 C38 1.501(12) 2_556 ?
C38 C39 0.938(12) . ?
C38 Cl1 1.783(12) . ?
C38 C39 1.969(18) 2_556 ?
C39 C39 1.15(2) 2_556 ?
C39 C38 1.969(18) 2_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C9 Pt1 C1 88.14(15) . . ?
C9 Pt1 N1 80.02(13) . . ?
C1 Pt1 N1 168.08(13) . . ?
C9 Pt1 P1 174.66(11) . . ?
C1 Pt1 P1 86.55(11) . . ?
N1 Pt1 P1 105.30(8) . . ?
C27 P1 C21 95.58(15) . . ?
C27 P1 C2 104.36(12) . . ?
C21 P1 C2 102.04(16) . . ?
C27 P1 Pt1 124.47(11) . . ?
C21 P1 Pt1 112.33(12) . . ?
C2 P1 Pt1 114.49(11) . . ?
C3 N1 C7 117.4(3) . . ?
C3 N1 Pt1 129.7(3) . . ?
C7 N1 Pt1 112.9(2) . . ?
Pt1 C1 H1A 109.5 . . ?
Pt1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Pt1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
P1 C2 P1 116.7(3) 2 . ?
P1 C2 H2A 108.1 2 . ?
P1 C2 H2A 108.1 . . ?
P1 C2 H2B 108.1 2 . ?
P1 C2 H2B 108.1 . . ?
H2A C2 H2B 107.3 . . ?
N1 C3 C4 123.1(4) . . ?
N1 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 119.4(4) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C7 118.1(4) . . ?
C5 C6 C15 124.6(4) . . ?
C7 C6 C15 117.3(4) . . ?
N1 C7 C6 122.4(4) . . ?
N1 C7 C8 115.8(3) . . ?
C6 C7 C8 121.8(3) . . ?
C9 C8 C13 123.6(4) . . ?
C9 C8 C7 117.7(3) . . ?
C13 C8 C7 118.6(4) . . ?
C10 C9 C8 115.7(3) . . ?
C10 C9 Pt1 130.7(3) . . ?
C8 C9 Pt1 113.6(3) . . ?
C9 C10 C11 121.5(4) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C12 C11 C10 121.9(4) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C11 C12 C13 119.8(4) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C8 117.4(4) . . ?
C12 C13 C14 123.7(4) . . ?
C8 C13 C14 118.9(4) . . ?
C15 C14 C13 122.0(4) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C6 121.3(4) . . ?
C14 C15 H15 119.3 . . ?
C6 C15 H15 119.3 . . ?
C26 C21 C22 118.9(3) . . ?
C26 C21 P1 122.0(3) . . ?
C22 C21 P1 118.9(3) . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C24 C23 C22 120.4(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.0(4) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C26 120.2(4) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 120.3(4) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C32 C27 C28 118.4(3) . . ?
C32 C27 P1 125.2(3) . . ?
C28 C27 P1 116.1(3) . . ?
C29 C28 C27 120.6(4) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C30 C29 C28 120.4(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C30 C31 C32 120.3(4) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 120.6(3) . . ?
C27 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C39 Cl2 C39 150(3) 2_556 . ?
C38 Cl2 C38 120.7(9) . 2_556 ?
C39 C38 Cl1 124.8(11) . . ?
Cl2 C38 Cl1 116.6(7) . . ?
Cl1 C38 C39 105.0(7) . 2_556 ?
C38 C39 C39 140.8(9) . 2_556 ?
C38 C39 C38 123.7(13) . 2_556 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Pt1 P1 C27 -163.46(18) . . . . ?
N1 Pt1 P1 C27 15.29(16) . . . . ?
C1 Pt1 P1 C21 -49.28(16) . . . . ?
N1 Pt1 P1 C21 129.46(14) . . . . ?
C1 Pt1 P1 C2 66.50(14) . . . . ?
N1 Pt1 P1 C2 -114.76(11) . . . . ?
C9 Pt1 N1 C3 -177.9(3) . . . . ?
C1 Pt1 N1 C3 175.7(6) . . . . ?
P1 Pt1 N1 C3 1.7(3) . . . . ?
C9 Pt1 N1 C7 0.4(2) . . . . ?
C1 Pt1 N1 C7 -6.1(7) . . . . ?
P1 Pt1 N1 C7 180.0(2) . . . . ?
C27 P1 C2 P1 -105.49(12) . . . 2 ?
C21 P1 C2 P1 155.46(12) . . . 2 ?
Pt1 P1 C2 P1 33.85(4) . . . 2 ?
C7 N1 C3 C4 2.5(5) . . . . ?
Pt1 N1 C3 C4 -179.3(3) . . . . ?
N1 C3 C4 C5 -1.8(6) . . . . ?
C3 C4 C5 C6 -0.2(6) . . . . ?
C4 C5 C6 C7 1.2(6) . . . . ?
C4 C5 C6 C15 -176.8(4) . . . . ?
C3 N1 C7 C6 -1.4(5) . . . . ?
Pt1 N1 C7 C6 -179.9(3) . . . . ?
C3 N1 C7 C8 177.5(3) . . . . ?
Pt1 N1 C7 C8 -1.0(4) . . . . ?
C5 C6 C7 N1 -0.5(5) . . . . ?
C15 C6 C7 N1 177.7(3) . . . . ?
C5 C6 C7 C8 -179.3(3) . . . . ?
C15 C6 C7 C8 -1.1(5) . . . . ?
N1 C7 C8 C9 1.4(5) . . . . ?
C6 C7 C8 C9 -179.8(3) . . . . ?
N1 C7 C8 C13 -176.4(3) . . . . ?
C6 C7 C8 C13 2.5(5) . . . . ?
C13 C8 C9 C10 -1.7(5) . . . . ?
C7 C8 C9 C10 -179.3(3) . . . . ?
C13 C8 C9 Pt1 176.6(3) . . . . ?
C7 C8 C9 Pt1 -1.0(4) . . . . ?
C1 Pt1 C9 C10 -3.0(3) . . . . ?
N1 Pt1 C9 C10 178.3(4) . . . . ?
C1 Pt1 C9 C8 179.0(3) . . . . ?
N1 Pt1 C9 C8 0.3(2) . . . . ?
C8 C9 C10 C11 2.8(5) . . . . ?
Pt1 C9 C10 C11 -175.2(3) . . . . ?
C9 C10 C11 C12 -1.5(6) . . . . ?
C10 C11 C12 C13 -1.0(6) . . . . ?
C11 C12 C13 C8 2.1(5) . . . . ?
C11 C12 C13 C14 -178.9(4) . . . . ?
C9 C8 C13 C12 -0.7(5) . . . . ?
C7 C8 C13 C12 176.9(3) . . . . ?
C9 C8 C13 C14 -179.8(3) . . . . ?
C7 C8 C13 C14 -2.2(5) . . . . ?
C12 C13 C14 C15 -178.5(4) . . . . ?
C8 C13 C14 C15 0.5(6) . . . . ?
C13 C14 C15 C6 0.9(6) . . . . ?
C5 C6 C15 C14 177.4(4) . . . . ?
C7 C6 C15 C14 -0.7(6) . . . . ?
C27 P1 C21 C26 -64.7(3) . . . . ?
C2 P1 C21 C26 41.3(3) . . . . ?
Pt1 P1 C21 C26 164.4(3) . . . . ?
C27 P1 C21 C22 109.3(3) . . . . ?
C2 P1 C21 C22 -144.7(3) . . . . ?
Pt1 P1 C21 C22 -21.6(3) . . . . ?
C26 C21 C22 C23 -1.0(6) . . . . ?
P1 C21 C22 C23 -175.1(3) . . . . ?
C21 C22 C23 C24 0.7(6) . . . . ?
C22 C23 C24 C25 -0.2(6) . . . . ?
C23 C24 C25 C26 0.1(6) . . . . ?
C22 C21 C26 C25 0.8(5) . . . . ?
P1 C21 C26 C25 174.8(3) . . . . ?
C24 C25 C26 C21 -0.4(6) . . . . ?
C21 P1 C27 C32 103.9(3) . . . . ?
C2 P1 C27 C32 -0.1(4) . . . . ?
Pt1 P1 C27 C32 -134.1(3) . . . . ?
C21 P1 C27 C28 -70.3(3) . . . . ?
C2 P1 C27 C28 -174.3(3) . . . . ?
Pt1 P1 C27 C28 51.7(3) . . . . ?
C32 C27 C28 C29 -1.5(6) . . . . ?
P1 C27 C28 C29 173.1(3) . . . . ?
C27 C28 C29 C30 2.2(6) . . . . ?
C28 C29 C30 C31 -1.1(6) . . . . ?
C29 C30 C31 C32 -0.6(6) . . . . ?
C28 C27 C32 C31 -0.3(5) . . . . ?
P1 C27 C32 C31 -174.4(3) . . . . ?
C30 C31 C32 C27 1.3(6) . . . . ?
C39 Cl2 C38 C39 -172(2) 2_556 . . . ?
C38 Cl2 C38 C39 -168(4) 2_556 . . . ?
C39 Cl2 C38 Cl1 -20.3(15) 2_556 . . . ?
C39 Cl2 C38 Cl1 152(4) . . . . ?
C38 Cl2 C38 Cl1 -16.0(4) 2_556 . . . ?
C39 Cl2 C38 C39 172(2) . . . 2_556 ?
C38 Cl2 C38 C39 4.4(13) 2_556 . . 2_556 ?
C39 Cl2 C39 C38 11(3) 2_556 . . . ?
C38 Cl2 C39 C38 15(4) 2_556 . . . ?
C38 Cl2 C39 C39 -11(3) . . . 2_556 ?
C38 Cl2 C39 C39 3.9(11) 2_556 . . 2_556 ?
C39 Cl2 C39 C38 -3.9(12) 2_556 . . 2_556 ?
C38 Cl2 C39 C38 -15(4) . . . 2_556 ?
Cl1 C38 C39 Cl2 -31(4) . . . . ?
C39 C38 C39 Cl2 -4.4(15) 2_556 . . . ?
Cl2 C38 C39 C39 4.4(15) . . . 2_556 ?
Cl1 C38 C39 C39 -26(3) . . . 2_556 ?
Cl2 C38 C39 C38 9(3) . . . 2_556 ?
Cl1 C38 C39 C38 -21.3(14) . . . 2_556 ?
C39 C38 C39 C38 5.0(15) 2_556 . . 2_556 ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        62.94
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.057
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.107
#=========
#END OF CIF

# Attachment '2.cif'

data_c
_database_code_depnum_ccdc_archive 'CCDC 814827'
#TrackingRef '2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H28 I2 N2 Pt2'
_chemical_formula_sum            'C30 H28 I2 N2 Pt2'
_chemical_formula_weight         1060.52

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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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

_cell_length_a                   6.8451(5)
_cell_length_b                   19.914(2)
_cell_length_c                   20.9767(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2859.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    2155
_cell_measurement_theta_min      1.94
_cell_measurement_theta_max      29.22

_exptl_crystal_description       Needle
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_exptl_absorpt_coefficient_mu    11.955
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.0657
_exptl_absorpt_correction_T_max  0.6463
_exptl_absorpt_process_details   'shape of crystal determined optically'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(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  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10484
_diffrn_reflns_av_R_equivalents  0.1094
_diffrn_reflns_av_sigmaI/netI    0.0672
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         29.22
_reflns_number_total             3843
_reflns_number_gt                3284
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_cell_refinement       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  PLATON

_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^)+(0.1187P)^2^+28.4700P] 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         3843
_refine_ls_number_parameters     165
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0665
_refine_ls_wR_factor_ref         0.1948
_refine_ls_wR_factor_gt          0.1806
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt2 Pt 0.53682(6) 0.029672(18) 0.408329(16) 0.02482(17) Uani 1 1 d . . .
I1 I 0.70856(10) 0.05599(3) 0.52630(3) 0.0282(2) Uani 1 1 d . . .
N1 N 0.3554(12) 0.1172(4) 0.4236(4) 0.0265(16) Uani 1 1 d . . .
C1 C 0.1880(16) 0.1238(5) 0.4529(5) 0.029(2) Uani 1 1 d . . .
H1 H 0.1292 0.0849 0.4707 0.035 Uiso 1 1 calc R . .
C2 C 0.0901(16) 0.1857(6) 0.4594(5) 0.030(2) Uani 1 1 d . . .
H2 H -0.0303 0.1884 0.4818 0.036 Uiso 1 1 calc R . .
C3 C 0.1720(16) 0.2419(5) 0.4328(5) 0.030(2) Uani 1 1 d . . .
H3 H 0.1081 0.2840 0.4368 0.036 Uiso 1 1 calc R . .
C4 C 0.3536(17) 0.2374(5) 0.3991(5) 0.0274(19) Uani 1 1 d . . .
C5 C 0.4515(17) 0.2929(6) 0.3689(6) 0.033(2) Uani 1 1 d . . .
H5 H 0.3952 0.3365 0.3704 0.040 Uiso 1 1 calc R . .
C6 C 0.623(2) 0.2833(6) 0.3386(5) 0.037(2) Uani 1 1 d . . .
H6 H 0.6846 0.3207 0.3190 0.044 Uiso 1 1 calc R . .
C7 C 0.7141(17) 0.2191(5) 0.3348(4) 0.028(2) Uani 1 1 d . . .
C8 C 0.8960(18) 0.2077(6) 0.3024(5) 0.033(2) Uani 1 1 d . . .
H8 H 0.9628 0.2440 0.2827 0.039 Uiso 1 1 calc R . .
C9 C 0.9717(18) 0.1449(6) 0.3000(5) 0.033(2) Uani 1 1 d . . .
H9 H 1.0903 0.1378 0.2775 0.040 Uiso 1 1 calc R . .
C10 C 0.8789(17) 0.0887(5) 0.3304(4) 0.028(2) Uani 1 1 d . . .
H10 H 0.9377 0.0455 0.3287 0.034 Uiso 1 1 calc R . .
C11 C 0.7014(16) 0.0976(5) 0.3627(4) 0.0281(19) Uani 1 1 d . . .
C12 C 0.6228(17) 0.1625(5) 0.3644(4) 0.029(2) Uani 1 1 d . . .
C13 C 0.4388(15) 0.1734(5) 0.3957(5) 0.0247(18) Uani 1 1 d . . .
C14 C 0.405(2) 0.0094(6) 0.3219(5) 0.035(2) Uani 1 1 d . . .
H14A H 0.3130 0.0454 0.3116 0.053 Uiso 1 1 calc R . .
H14B H 0.3354 -0.0334 0.3245 0.053 Uiso 1 1 calc R . .
H14C H 0.5054 0.0067 0.2886 0.053 Uiso 1 1 calc R . .
C15 C 0.7298(16) -0.0478(5) 0.3881(5) 0.029(2) Uani 1 1 d . . .
H15A H 0.8595 -0.0365 0.4047 0.043 Uiso 1 1 calc R . .
H15B H 0.7375 -0.0542 0.3418 0.043 Uiso 1 1 calc R . .
H15C H 0.6835 -0.0893 0.4081 0.043 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
Pt2 0.0340(3) 0.0243(2) 0.0162(2) -0.00023(11) 0.00049(12) 0.00010(13)
I1 0.0367(4) 0.0277(3) 0.0202(3) 0.0007(2) -0.0007(2) -0.0033(2)
N1 0.026(4) 0.030(4) 0.023(4) -0.003(3) 0.006(3) 0.013(3)
C1 0.034(5) 0.032(5) 0.021(4) 0.000(3) -0.002(4) 0.001(4)
C2 0.031(5) 0.036(5) 0.024(4) -0.007(4) 0.006(4) 0.009(4)
C3 0.037(5) 0.025(4) 0.029(5) -0.002(4) 0.002(4) 0.007(4)
C4 0.039(5) 0.023(4) 0.020(4) -0.001(3) -0.003(4) 0.001(4)
C5 0.042(6) 0.026(4) 0.032(5) -0.006(4) 0.004(4) 0.001(4)
C6 0.059(7) 0.030(5) 0.022(4) 0.000(4) -0.003(5) -0.009(5)
C7 0.044(5) 0.024(4) 0.016(4) -0.003(3) 0.005(4) -0.004(4)
C8 0.044(6) 0.038(5) 0.016(4) 0.001(4) 0.001(4) -0.010(5)
C9 0.048(6) 0.035(5) 0.017(4) 0.001(4) 0.001(4) -0.004(5)
C10 0.045(6) 0.026(4) 0.014(4) 0.001(3) 0.000(4) 0.000(4)
C11 0.041(5) 0.027(4) 0.016(4) 0.004(3) -0.003(4) -0.006(4)
C12 0.046(6) 0.025(4) 0.015(4) -0.001(3) -0.006(4) -0.006(4)
C13 0.035(5) 0.026(4) 0.014(3) -0.002(3) -0.005(3) 0.002(4)
C14 0.050(6) 0.040(6) 0.016(4) 0.000(4) 0.003(4) -0.004(5)
C15 0.037(5) 0.028(4) 0.022(4) 0.000(3) 0.015(4) 0.011(4)

_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
Pt2 C11 2.003(10) . ?
Pt2 C14 2.063(11) . ?
Pt2 C15 2.075(9) . ?
Pt2 N1 2.164(8) . ?
Pt2 I1 2.7589(8) 5_656 ?
Pt2 I1 2.7894(7) . ?
I1 Pt2 2.7589(8) 5_656 ?
N1 C1 1.306(13) . ?
N1 C13 1.387(14) . ?
C1 C2 1.410(14) . ?
C1 H1 0.9500 . ?
C2 C3 1.370(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.433(15) . ?
C3 H3 0.9500 . ?
C4 C13 1.403(14) . ?
C4 C5 1.440(15) . ?
C5 C6 1.347(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.425(16) . ?
C6 H6 0.9500 . ?
C7 C12 1.431(13) . ?
C7 C8 1.437(16) . ?
C8 C9 1.354(17) . ?
C8 H8 0.9500 . ?
C9 C10 1.437(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.402(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.402(14) . ?
C12 C13 1.436(15) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 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 Pt2 C14 87.6(4) . . ?
C11 Pt2 C15 92.6(4) . . ?
C14 Pt2 C15 87.3(5) . . ?
C11 Pt2 N1 81.4(4) . . ?
C14 Pt2 N1 92.1(4) . . ?
C15 Pt2 N1 174.0(4) . . ?
C11 Pt2 I1 175.7(3) . 5_656 ?
C14 Pt2 I1 92.9(3) . 5_656 ?
C15 Pt2 I1 91.7(3) . 5_656 ?
N1 Pt2 I1 94.3(2) . 5_656 ?
C11 Pt2 I1 93.4(3) . . ?
C14 Pt2 I1 179.0(3) . . ?
C15 Pt2 I1 93.0(3) . . ?
N1 Pt2 I1 87.7(2) . . ?
I1 Pt2 I1 86.09(2) 5_656 . ?
Pt2 I1 Pt2 93.91(2) 5_656 . ?
C1 N1 C13 118.5(9) . . ?
C1 N1 Pt2 130.9(8) . . ?
C13 N1 Pt2 110.6(6) . . ?
N1 C1 C2 123.5(10) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C3 C2 C1 118.7(10) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 120.3(9) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C13 C4 C3 116.2(9) . . ?
C13 C4 C5 118.8(10) . . ?
C3 C4 C5 125.0(10) . . ?
C6 C5 C4 120.2(10) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C5 C6 C7 122.4(10) . . ?
C5 C6 H6 118.8 . . ?
C7 C6 H6 118.8 . . ?
C6 C7 C12 119.4(10) . . ?
C6 C7 C8 123.3(10) . . ?
C12 C7 C8 117.3(9) . . ?
C9 C8 C7 119.7(10) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C8 C9 C10 122.2(11) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
C11 C10 C9 119.9(10) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C12 C11 C10 117.5(9) . . ?
C12 C11 Pt2 113.3(8) . . ?
C10 C11 Pt2 129.3(8) . . ?
C11 C12 C7 123.2(10) . . ?
C11 C12 C13 119.2(9) . . ?
C7 C12 C13 117.6(9) . . ?
N1 C13 C4 122.7(9) . . ?
N1 C13 C12 115.6(9) . . ?
C4 C13 C12 121.6(9) . . ?
Pt2 C14 H14A 109.5 . . ?
Pt2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Pt2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Pt2 C15 H15A 109.5 . . ?
Pt2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Pt2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        29.22
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         2.753
_refine_diff_density_min         -5.835
_refine_diff_density_rms         0.505

# Attachment 'C1DT10296F_ccdc_814825_814827_cif.txt'

# end Validation Reply Form
#========================================================================