# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Mark Thompson'
_publ_contact_author_email       MET@USC.EDU

_publ_section_title              
;
Exciplex quenching of a luminescent
cyclometallated Platinum complex by extremely poor Lewis bases
;
loop_
_publ_author_name
'Mark Thompson'
'Kristen Aznavour'
'Robert Bau'
'Grace Y. Cheng'
'Peter Djurovich'
'Azad Hassan'
;
M.D.Perez
;

# Attachment 'ptn1m.cif'

data_ptn1m
_database_code_depnum_ccdc_archive 'CCDC 717920'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16.50 H15 Cl0.50 N2 O4 Pt'
_chemical_formula_weight         518.12

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'
Cl Cl 0.1484 0.1585 '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

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

_cell_length_a                   11.7451(7)
_cell_length_b                   12.1959(7)
_cell_length_c                   12.6839(7)
_cell_angle_alpha                88.8210(10)
_cell_angle_beta                 86.7640(10)
_cell_angle_gamma                64.3710(10)
_cell_volume                     1635.49(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    7537
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      27.48

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      calculated
_exptl_crystal_density_diffrn    2.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             986
_exptl_absorpt_coefficient_mu    8.684
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_correction_T_min  0.1804
_exptl_absorpt_correction_T_max  0.5087
_exptl_absorpt_process_details   'Blessing,R.H.,Acta Crystallogr.1995,A51,33'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      110(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_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10116
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         27.51
_reflns_number_total             7063
_reflns_number_gt                6351
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHEXTL'

_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^)+(0.0364P)^2^+2.9794P] 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         7063
_refine_ls_number_parameters     437
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0269
_refine_ls_wR_factor_ref         0.0698
_refine_ls_wR_factor_gt          0.0679
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.022
_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 0.102186(15) 0.085517(14) 0.086447(12) 0.01571(5) Uani 1 1 d . . .
Pt2 Pt 1.011933(16) 0.380247(15) 0.581640(12) 0.01956(6) Uani 1 1 d . . .
O4 O -0.0360(3) 0.2240(3) 0.0028(2) 0.0206(6) Uani 1 1 d . . .
O3 O 0.2350(3) 0.1386(3) 0.0370(2) 0.0220(6) Uani 1 1 d . . .
O1 O 1.1705(3) 0.2345(3) 0.5399(2) 0.0256(7) Uani 1 1 d . . .
O2 O 0.9005(3) 0.3150(3) 0.5055(2) 0.0244(7) Uani 1 1 d . . .
N4 N -0.0174(3) 0.0212(3) 0.1456(3) 0.0182(7) Uani 1 1 d . . .
N3 N 0.8638(4) 0.5303(3) 0.6319(3) 0.0202(8) Uani 1 1 d . . .
C6 C -0.1405(4) 0.0676(4) 0.1237(3) 0.0183(8) Uani 1 1 d . . .
H6 H -0.1749 0.1351 0.0775 0.022 Uiso 1 1 calc R . .
C7 C 0.0329(4) -0.0765(4) 0.2105(3) 0.0184(8) Uani 1 1 d . . .
C9 C 0.8900(4) 0.6054(4) 0.6947(3) 0.0201(9) Uani 1 1 d . . .
O5 O -0.3881(3) 0.1600(4) 0.0873(3) 0.0378(9) Uani 1 1 d . . .
N2 N -0.3488(4) 0.0688(4) 0.1413(3) 0.0266(9) Uani 1 1 d . . .
C13 C 0.2205(4) -0.0474(4) 0.1713(3) 0.0188(8) Uani 1 1 d . . .
C22 C 0.7449(4) 0.5598(4) 0.6061(3) 0.0233(9) Uani 1 1 d . . .
H22 H 0.7274 0.5079 0.5616 0.028 Uiso 1 1 calc R . .
C19 C 1.0725(5) 0.6259(4) 0.7705(4) 0.0253(10) Uani 1 1 d . . .
H19 H 1.0176 0.7001 0.8047 0.030 Uiso 1 1 calc R . .
C15 C 0.0967(4) 0.3189(4) -0.0532(4) 0.0237(10) Uani 1 1 d . . .
H15 H 0.0956 0.3887 -0.0887 0.028 Uiso 1 1 calc R . .
C16 C -0.0433(4) -0.1296(4) 0.2557(3) 0.0220(9) Uani 1 1 d . . .
H16 H -0.0081 -0.1978 0.3010 0.026 Uiso 1 1 calc R . .
C18 C -0.2165(4) 0.0167(4) 0.1687(3) 0.0202(9) Uani 1 1 d . . .
C17 C -0.1688(5) -0.0824(4) 0.2340(4) 0.0249(10) Uani 1 1 d . . .
H17 H -0.2215 -0.1176 0.2635 0.030 Uiso 1 1 calc R . .
C14 C 0.2127(4) 0.2367(4) -0.0153(3) 0.0205(9) Uani 1 1 d . . .
C20 C 1.0239(4) 0.5620(4) 0.7109(3) 0.0230(9) Uani 1 1 d . . .
C21 C 0.7929(4) 0.7140(4) 0.7342(4) 0.0239(9) Uani 1 1 d . . .
H21 H 0.8115 0.7662 0.7774 0.029 Uiso 1 1 calc R . .
C12 C 0.3487(4) -0.0786(4) 0.1831(4) 0.0237(9) Uani 1 1 d . . .
H12 H 0.3880 -0.0343 0.1463 0.028 Uiso 1 1 calc R . .
O6 O -0.4117(3) 0.0160(3) 0.1746(3) 0.0350(8) Uani 1 1 d . . .
N1 N 0.5189(4) 0.6975(4) 0.6144(3) 0.0337(10) Uani 1 1 d . . .
O7 O 0.5034(4) 0.6261(4) 0.5576(4) 0.0532(12) Uani 1 1 d . . .
C25 C 0.6683(5) 0.7445(5) 0.7094(4) 0.0284(10) Uani 1 1 d . . .
H25 H 0.6002 0.8167 0.7363 0.034 Uiso 1 1 calc R . .
C26 C 1.2034(5) 0.5784(5) 0.7787(4) 0.0296(11) Uani 1 1 d . . .
H26 H 1.2381 0.6200 0.8194 0.035 Uiso 1 1 calc R . .
C27 C 0.2380(5) -0.2128(4) 0.2922(4) 0.0263(10) Uani 1 1 d . . .
H27 H 0.2000 -0.2583 0.3287 0.032 Uiso 1 1 calc R . .
C28 C 1.1028(4) 0.4524(4) 0.6607(3) 0.0205(9) Uani 1 1 d . . .
C29 C 0.1670(4) -0.1168(4) 0.2271(3) 0.0194(9) Uani 1 1 d . . .
C30 C 0.9459(5) 0.2132(4) 0.4578(3) 0.0268(10) Uani 1 1 d . . .
C31 C -0.0168(4) 0.3086(4) -0.0440(3) 0.0226(9) Uani 1 1 d . . .
C32 C 0.3280(5) 0.2599(5) -0.0334(4) 0.0317(11) Uani 1 1 d . . .
H32A H 0.3534 0.2772 0.0343 0.047 Uiso 1 1 calc R . .
H32B H 0.3086 0.3298 -0.0804 0.047 Uiso 1 1 calc R . .
H32C H 0.3972 0.1879 -0.0658 0.047 Uiso 1 1 calc R . .
C33 C 1.1750(5) 0.1438(4) 0.4874(4) 0.0266(10) Uani 1 1 d . . .
C34 C 1.0727(5) 0.1319(5) 0.4468(4) 0.0319(11) Uani 1 1 d . . .
H34 H 1.0922 0.0600 0.4073 0.038 Uiso 1 1 calc R . .
C35 C 1.2325(5) 0.4074(4) 0.6698(4) 0.0257(10) Uani 1 1 d . . .
H35 H 1.2878 0.3328 0.6365 0.031 Uiso 1 1 calc R . .
C36 C 0.6479(4) 0.6666(5) 0.6450(4) 0.0256(10) Uani 1 1 d . . .
C37 C 1.2819(5) 0.4715(5) 0.7279(4) 0.0321(11) Uani 1 1 d . . .
H37 H 1.3708 0.4408 0.7323 0.038 Uiso 1 1 calc R . .
C38 C 0.3640(5) -0.2413(4) 0.3034(4) 0.0280(10) Uani 1 1 d . . .
H38 H 0.4131 -0.3061 0.3480 0.034 Uiso 1 1 calc R . .
C39 C 0.4189(4) -0.1744(5) 0.2489(4) 0.0289(11) Uani 1 1 d . . .
H39 H 0.5056 -0.1944 0.2566 0.035 Uiso 1 1 calc R . .
O8 O 0.4346(3) 0.7929(4) 0.6473(3) 0.0446(10) Uani 1 1 d . . .
C40 C -0.1301(5) 0.4040(5) -0.0936(4) 0.0327(11) Uani 1 1 d . . .
H40A H -0.1604 0.3659 -0.1457 0.049 Uiso 1 1 calc R . .
H40B H -0.1068 0.4643 -0.1286 0.049 Uiso 1 1 calc R . .
H40C H -0.1972 0.4441 -0.0389 0.049 Uiso 1 1 calc R . .
C41 C 1.3050(5) 0.0419(5) 0.4726(4) 0.0374(13) Uani 1 1 d . . .
H41A H 1.3670 0.0754 0.4624 0.056 Uiso 1 1 calc R . .
H41B H 1.3089 -0.0062 0.4104 0.056 Uiso 1 1 calc R . .
H41C H 1.3240 -0.0101 0.5352 0.056 Uiso 1 1 calc R . .
C42 C 0.8476(6) 0.1822(5) 0.4113(4) 0.0360(12) Uani 1 1 d . . .
H42A H 0.7729 0.2081 0.4602 0.054 Uiso 1 1 calc R . .
H42B H 0.8827 0.0942 0.3999 0.054 Uiso 1 1 calc R . .
H42C H 0.8235 0.2242 0.3438 0.054 Uiso 1 1 calc R . .
Cl1 Cl 0.53766(15) 0.54040(15) 0.84018(12) 0.0468(4) Uani 1 1 d D . .
C43 C 0.5129(9) 0.4633(8) 0.9530(7) 0.093(3) Uani 1 1 d D . .
H43A H 0.4408 0.4438 0.9426 0.111 Uiso 1 1 calc R . .
H43B H 0.5890 0.3859 0.9619 0.111 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 0.01647(9) 0.01537(9) 0.01640(9) 0.00097(6) -0.00035(6) -0.00800(7)
Pt2 0.02457(10) 0.01586(9) 0.01764(9) 0.00117(7) 0.00146(7) -0.00850(7)
O4 0.0218(16) 0.0223(16) 0.0198(14) 0.0039(13) -0.0035(12) -0.0113(13)
O3 0.0218(16) 0.0247(17) 0.0225(15) 0.0025(13) -0.0006(12) -0.0131(14)
O1 0.0292(18) 0.0198(16) 0.0248(16) -0.0001(13) 0.0016(13) -0.0082(14)
O2 0.0312(18) 0.0239(17) 0.0221(15) -0.0014(13) 0.0025(13) -0.0160(15)
N4 0.0180(18) 0.0182(18) 0.0175(17) -0.0018(14) -0.0004(13) -0.0071(15)
N3 0.0239(19) 0.0190(19) 0.0168(17) 0.0031(14) 0.0010(14) -0.0089(16)
C6 0.018(2) 0.018(2) 0.019(2) -0.0017(17) -0.0007(16) -0.0078(17)
C7 0.022(2) 0.016(2) 0.0152(19) 0.0006(16) 0.0004(16) -0.0062(17)
C9 0.030(2) 0.017(2) 0.0123(18) 0.0038(16) -0.0002(16) -0.0106(19)
O5 0.0227(18) 0.040(2) 0.051(2) 0.0088(18) -0.0095(16) -0.0123(17)
N2 0.0181(19) 0.030(2) 0.031(2) -0.0069(18) 0.0013(16) -0.0094(17)
C13 0.020(2) 0.018(2) 0.0173(19) -0.0036(16) 0.0015(16) -0.0070(17)
C22 0.027(2) 0.028(2) 0.018(2) 0.0038(18) -0.0031(17) -0.015(2)
C19 0.030(3) 0.021(2) 0.024(2) -0.0044(18) -0.0020(18) -0.009(2)
C15 0.026(2) 0.019(2) 0.029(2) 0.0032(19) 0.0025(18) -0.014(2)
C16 0.024(2) 0.019(2) 0.022(2) 0.0043(18) 0.0029(17) -0.0090(19)
C18 0.019(2) 0.020(2) 0.022(2) -0.0059(17) 0.0012(16) -0.0087(18)
C17 0.027(2) 0.024(2) 0.027(2) -0.0046(19) 0.0066(18) -0.015(2)
C14 0.025(2) 0.019(2) 0.020(2) 0.0041(17) -0.0024(17) -0.0106(18)
C20 0.028(2) 0.023(2) 0.019(2) 0.0037(18) -0.0006(17) -0.012(2)
C21 0.025(2) 0.023(2) 0.023(2) 0.0001(18) -0.0011(18) -0.010(2)
C12 0.022(2) 0.021(2) 0.028(2) -0.0017(19) 0.0015(18) -0.0096(19)
O6 0.0215(18) 0.038(2) 0.050(2) -0.0068(18) 0.0054(15) -0.0184(16)
N1 0.023(2) 0.039(3) 0.036(2) 0.002(2) -0.0070(18) -0.010(2)
O7 0.036(2) 0.055(3) 0.066(3) -0.021(2) -0.011(2) -0.015(2)
C25 0.028(3) 0.024(2) 0.028(2) 0.001(2) 0.0040(19) -0.007(2)
C26 0.035(3) 0.027(3) 0.028(2) 0.002(2) -0.012(2) -0.013(2)
C27 0.028(2) 0.024(2) 0.021(2) 0.0042(19) -0.0003(18) -0.006(2)
C28 0.028(2) 0.016(2) 0.017(2) 0.0062(16) -0.0023(17) -0.0091(18)
C29 0.018(2) 0.017(2) 0.018(2) -0.0013(17) 0.0009(16) -0.0035(17)
C30 0.042(3) 0.026(2) 0.016(2) 0.0020(18) 0.0022(19) -0.019(2)
C31 0.028(2) 0.019(2) 0.020(2) 0.0007(18) -0.0027(17) -0.0089(19)
C32 0.029(3) 0.034(3) 0.038(3) 0.003(2) 0.005(2) -0.019(2)
C33 0.034(3) 0.020(2) 0.023(2) -0.0016(18) 0.0053(19) -0.010(2)
C34 0.046(3) 0.024(3) 0.026(2) -0.005(2) 0.003(2) -0.015(2)
C35 0.028(2) 0.020(2) 0.027(2) 0.0015(19) -0.0014(19) -0.008(2)
C36 0.019(2) 0.029(3) 0.025(2) 0.0050(19) -0.0014(17) -0.0077(19)
C37 0.023(2) 0.036(3) 0.033(3) 0.003(2) -0.006(2) -0.010(2)
C38 0.023(2) 0.021(2) 0.029(2) 0.0030(19) -0.0008(19) -0.0003(19)
C39 0.017(2) 0.035(3) 0.028(2) -0.002(2) -0.0023(18) -0.005(2)
O8 0.025(2) 0.036(2) 0.061(3) -0.007(2) -0.0078(18) -0.0016(17)
C40 0.030(3) 0.028(3) 0.040(3) 0.015(2) -0.010(2) -0.012(2)
C41 0.040(3) 0.025(3) 0.036(3) -0.003(2) 0.008(2) -0.005(2)
C42 0.050(3) 0.034(3) 0.035(3) -0.004(2) -0.002(2) -0.028(3)
Cl1 0.0529(9) 0.0521(9) 0.0427(8) 0.0128(7) -0.0072(6) -0.0294(8)
C43 0.062(5) 0.072(6) 0.160(10) -0.020(6) -0.003(6) -0.044(5)

_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 C13 1.965(4) . ?
Pt1 N4 1.990(4) . ?
Pt1 O3 1.998(3) . ?
Pt1 O4 2.089(3) . ?
Pt2 C28 1.972(5) . ?
Pt2 N3 1.987(4) . ?
Pt2 O1 1.993(3) . ?
Pt2 O2 2.087(3) . ?
O4 C31 1.275(5) . ?
O3 C14 1.286(5) . ?
O1 C33 1.282(6) . ?
O2 C30 1.270(6) . ?
N4 C6 1.348(5) . ?
N4 C7 1.361(5) . ?
N3 C22 1.341(6) . ?
N3 C9 1.368(6) . ?
C6 C18 1.385(6) . ?
C6 H6 0.9500 . ?
C7 C16 1.406(6) . ?
C7 C29 1.459(6) . ?
C9 C21 1.400(6) . ?
C9 C20 1.452(6) . ?
O5 N2 1.216(5) . ?
N2 O6 1.226(5) . ?
N2 C18 1.462(6) . ?
C13 C12 1.401(6) . ?
C13 C29 1.413(6) . ?
C22 C36 1.384(7) . ?
C22 H22 0.9500 . ?
C19 C26 1.398(7) . ?
C19 C20 1.400(6) . ?
C19 H19 0.9500 . ?
C15 C31 1.391(6) . ?
C15 C14 1.402(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.373(7) . ?
C16 H16 0.9500 . ?
C18 C17 1.374(7) . ?
C17 H17 0.9500 . ?
C14 C32 1.504(6) . ?
C20 C28 1.396(7) . ?
C21 C25 1.398(7) . ?
C21 H21 0.9500 . ?
C12 C39 1.395(7) . ?
C12 H12 0.9500 . ?
N1 O8 1.218(6) . ?
N1 O7 1.220(6) . ?
N1 C36 1.468(6) . ?
C25 C36 1.372(7) . ?
C25 H25 0.9500 . ?
C26 C37 1.376(7) . ?
C26 H26 0.9500 . ?
C27 C38 1.381(7) . ?
C27 C29 1.394(6) . ?
C27 H27 0.9500 . ?
C28 C35 1.389(7) . ?
C30 C34 1.388(7) . ?
C30 C42 1.512(7) . ?
C31 C40 1.499(6) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.398(7) . ?
C33 C41 1.499(7) . ?
C34 H34 0.9500 . ?
C35 C37 1.398(7) . ?
C35 H35 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.392(7) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
Cl1 C43 1.775(9) . ?
C43 C43 1.442(17) 2_667 ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?

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
C13 Pt1 N4 81.59(16) . . ?
C13 Pt1 O3 92.65(15) . . ?
N4 Pt1 O3 174.18(13) . . ?
C13 Pt1 O4 175.10(15) . . ?
N4 Pt1 O4 93.58(13) . . ?
O3 Pt1 O4 92.16(12) . . ?
C28 Pt2 N3 81.74(17) . . ?
C28 Pt2 O1 92.80(16) . . ?
N3 Pt2 O1 174.50(14) . . ?
C28 Pt2 O2 174.71(16) . . ?
N3 Pt2 O2 93.18(14) . . ?
O1 Pt2 O2 92.27(13) . . ?
C31 O4 Pt1 122.8(3) . . ?
C14 O3 Pt1 124.2(3) . . ?
C33 O1 Pt2 124.6(3) . . ?
C30 O2 Pt2 123.0(3) . . ?
C6 N4 C7 120.4(4) . . ?
C6 N4 Pt1 123.9(3) . . ?
C7 N4 Pt1 115.7(3) . . ?
C22 N3 C9 120.6(4) . . ?
C22 N3 Pt2 123.7(3) . . ?
C9 N3 Pt2 115.7(3) . . ?
N4 C6 C18 119.8(4) . . ?
N4 C6 H6 120.1 . . ?
C18 C6 H6 120.1 . . ?
N4 C7 C16 120.2(4) . . ?
N4 C7 C29 114.3(4) . . ?
C16 C7 C29 125.5(4) . . ?
N3 C9 C21 120.6(4) . . ?
N3 C9 C20 113.3(4) . . ?
C21 C9 C20 126.1(4) . . ?
O5 N2 O6 125.0(4) . . ?
O5 N2 C18 118.2(4) . . ?
O6 N2 C18 116.9(4) . . ?
C12 C13 C29 117.6(4) . . ?
C12 C13 Pt1 127.5(3) . . ?
C29 C13 Pt1 114.9(3) . . ?
N3 C22 C36 119.5(4) . . ?
N3 C22 H22 120.3 . . ?
C36 C22 H22 120.3 . . ?
C26 C19 C20 118.7(4) . . ?
C26 C19 H19 120.6 . . ?
C20 C19 H19 120.6 . . ?
C31 C15 C14 126.5(4) . . ?
C31 C15 H15 116.7 . . ?
C14 C15 H15 116.7 . . ?
C17 C16 C7 119.7(4) . . ?
C17 C16 H16 120.2 . . ?
C7 C16 H16 120.2 . . ?
C17 C18 C6 121.4(4) . . ?
C17 C18 N2 120.7(4) . . ?
C6 C18 N2 117.9(4) . . ?
C16 C17 C18 118.5(4) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
O3 C14 C15 127.1(4) . . ?
O3 C14 C32 112.8(4) . . ?
C15 C14 C32 120.1(4) . . ?
C28 C20 C19 121.6(4) . . ?
C28 C20 C9 115.3(4) . . ?
C19 C20 C9 123.0(4) . . ?
C25 C21 C9 119.3(4) . . ?
C25 C21 H21 120.4 . . ?
C9 C21 H21 120.4 . . ?
C39 C12 C13 120.2(4) . . ?
C39 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
O8 N1 O7 124.5(4) . . ?
O8 N1 C36 117.7(4) . . ?
O7 N1 C36 117.8(4) . . ?
C36 C25 C21 117.6(5) . . ?
C36 C25 H25 121.2 . . ?
C21 C25 H25 121.2 . . ?
C37 C26 C19 120.0(5) . . ?
C37 C26 H26 120.0 . . ?
C19 C26 H26 120.0 . . ?
C38 C27 C29 119.5(5) . . ?
C38 C27 H27 120.2 . . ?
C29 C27 H27 120.2 . . ?
C35 C28 C20 118.5(4) . . ?
C35 C28 Pt2 127.6(3) . . ?
C20 C28 Pt2 113.9(3) . . ?
C27 C29 C13 121.8(4) . . ?
C27 C29 C7 124.6(4) . . ?
C13 C29 C7 113.5(4) . . ?
O2 C30 C34 126.3(5) . . ?
O2 C30 C42 114.1(5) . . ?
C34 C30 C42 119.6(5) . . ?
O4 C31 C15 126.6(4) . . ?
O4 C31 C40 114.8(4) . . ?
C15 C31 C40 118.6(4) . . ?
C14 C32 H32A 109.5 . . ?
C14 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C14 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O1 C33 C34 126.6(5) . . ?
O1 C33 C41 114.1(5) . . ?
C34 C33 C41 119.3(5) . . ?
C30 C34 C33 127.2(5) . . ?
C30 C34 H34 116.4 . . ?
C33 C34 H34 116.4 . . ?
C28 C35 C37 120.3(4) . . ?
C28 C35 H35 119.9 . . ?
C37 C35 H35 119.9 . . ?
C25 C36 C22 122.5(4) . . ?
C25 C36 N1 119.2(4) . . ?
C22 C36 N1 118.3(4) . . ?
C26 C37 C35 120.9(5) . . ?
C26 C37 H37 119.6 . . ?
C35 C37 H37 119.6 . . ?
C27 C38 C39 119.7(4) . . ?
C27 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
C38 C39 C12 121.2(4) . . ?
C38 C39 H39 119.4 . . ?
C12 C39 H39 119.4 . . ?
C31 C40 H40A 109.5 . . ?
C31 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C31 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C33 C41 H41A 109.5 . . ?
C33 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C33 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C30 C42 H42A 109.5 . . ?
C30 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C30 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C43 C43 Cl1 111.1(8) 2_667 . ?
C43 C43 H43A 109.4 2_667 . ?
Cl1 C43 H43A 109.4 . . ?
C43 C43 H43B 109.4 2_667 . ?
Cl1 C43 H43B 109.4 . . ?
H43A C43 H43B 108.0 . . ?

_diffrn_measured_fraction_theta_max 0.938
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.938
_refine_diff_density_max         4.392
_refine_diff_density_min         -1.052
_refine_diff_density_rms         0.148