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

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

_publ_contact_author_name        'Michael Chan'
_publ_contact_author_email       MCWCHAN@CITYU.EDU.HK

_publ_section_title              
;
Synthesis and Spectroscopic Properties
of Modular Platinum(II) Terpyridine Phosphorescent Pockets
;
loop_
_publ_author_name
'Michael Chan'
'Sze Kar Leung.'
'Wah-Leung Tong.'
'Nian-Yong Zhu.'

# Attachment 'B900030E_wt1194n.cif'

data_wt1194(MCW_Chan)
_database_code_depnum_ccdc_archive 'CCDC 716277'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_sum            'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_weight         1017.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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

_cell_length_a                   21.261(7)
_cell_length_b                   12.008(4)
_cell_length_c                   21.963(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.71(3)
_cell_angle_gamma                90.00
_cell_volume                     5134(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2040
_exptl_absorpt_coefficient_mu    2.883
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.629917
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Bruker Smart CCD 1000'
_diffrn_measurement_method       'w scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27263
_diffrn_reflns_av_R_equivalents  0.1083
_diffrn_reflns_av_sigmaI/netI    0.1449
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.68
_reflns_number_total             9693
_reflns_number_gt                3824
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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^)+(0.1255P)^2^+0.0000P] 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         9693
_refine_ls_number_parameters     477
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.0812
_refine_ls_wR_factor_ref         0.2134
_refine_ls_wR_factor_gt          0.1892
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_restrained_S_all      0.777
_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 -0.05802(3) 0.05653(4) 0.06356(2) 0.0701(2) Uani 1 1 d . . .
Cl1 Cl -0.17182(18) 0.0725(3) 0.01947(19) 0.0985(11) Uani 1 1 d . . .
Cl2 Cl 0.1763(3) 0.5521(5) 0.1053(4) 0.1342(17) Uani 1 1 d . . .
O2 O -0.0703(5) 0.3449(11) 0.2523(5) 0.116(4) Uani 1 1 d . . .
O3 O -0.0801(6) 0.1613(12) 0.2343(6) 0.125(4) Uani 1 1 d . . .
O7 O 0.2012(12) 0.4690(19) 0.1502(12) 0.268(12) Uani 1 1 d . . .
O4 O 0.1112(7) 0.5319(10) 0.0682(8) 0.156(5) Uani 1 1 d . . .
O5 O 0.2111(13) 0.529(3) 0.072(2) 0.43(3) Uani 1 1 d . . .
O6 O 0.1881(8) 0.6568(15) 0.1272(14) 0.295(14) Uani 1 1 d . . .
N1 N -0.0336(4) 0.2140(6) 0.0916(4) 0.072(3) Uiso 1 1 d G . .
C1 C -0.0779(4) 0.3041(8) 0.0805(4) 0.100(5) Uani 1 1 d G . .
H1 H -0.1250 0.2940 0.0576 0.120 Uiso 1 1 calc R . .
C2 C -0.0519(6) 0.4092(6) 0.1036(5) 0.101(5) Uani 1 1 d G . .
H2 H -0.0815 0.4695 0.0961 0.121 Uiso 1 1 calc R . .
C3 C 0.0185(7) 0.4243(5) 0.1378(5) 0.102(5) Uani 1 1 d G . .
H3 H 0.0359 0.4947 0.1532 0.123 Uiso 1 1 calc R . .
C4 C 0.0628(4) 0.3343(8) 0.1489(4) 0.092(4) Uani 1 1 d G . .
H4 H 0.1099 0.3443 0.1718 0.110 Uiso 1 1 calc R . .
C5 C 0.0368(4) 0.2291(6) 0.1258(4) 0.065(3) Uani 1 1 d G . .
N2 N 0.0332(3) 0.0418(7) 0.1002(3) 0.061(2) Uiso 1 1 d G . .
C6 C 0.0748(4) 0.1322(5) 0.1306(4) 0.081(4) Uani 1 1 d G . .
C7 C 0.1454(4) 0.1179(6) 0.1640(4) 0.079(4) Uani 1 1 d G . .
H7 H 0.1732 0.1784 0.1844 0.095 Uiso 1 1 calc R . .
C8 C 0.1743(3) 0.0131(8) 0.1670(4) 0.078(4) Uani 1 1 d G . .
C9 C 0.1327(4) -0.0773(6) 0.1365(4) 0.076(4) Uani 1 1 d G . .
H9 H 0.1520 -0.1473 0.1385 0.091 Uiso 1 1 calc R . .
C10 C 0.0621(4) -0.0629(6) 0.1031(3) 0.068(3) Uani 1 1 d G . .
N3 N -0.0545(4) -0.1070(5) 0.0445(4) 0.072(3) Uiso 1 1 d G . .
C11 C 0.0125(3) -0.1468(6) 0.0714(3) 0.067(3) Uani 1 1 d G . .
C12 C 0.0255(4) -0.2584(7) 0.0644(4) 0.075(4) Uani 1 1 d G . .
H12 H 0.0704 -0.2850 0.0824 0.091 Uiso 1 1 calc R . .
C13 C -0.0285(6) -0.3303(5) 0.0304(4) 0.077(4) Uani 1 1 d G . .
H13 H -0.0198 -0.4050 0.0258 0.093 Uiso 1 1 calc R . .
C14 C -0.0956(5) -0.2905(7) 0.0035(4) 0.085(4) Uani 1 1 d G . .
H14 H -0.1317 -0.3386 -0.0192 0.102 Uiso 1 1 calc R . .
C15 C -0.1086(3) -0.1789(8) 0.0106(4) 0.087(4) Uani 1 1 d G . .
H15 H -0.1534 -0.1523 -0.0074 0.104 Uiso 1 1 calc R . .
C16 C 0.2464(7) -0.0055(15) 0.2010(7) 0.099(5) Uani 1 1 d . . .
C17 C 0.2791(8) -0.0761(13) 0.1742(8) 0.100(5) Uani 1 1 d . . .
H17 H 0.2533 -0.1108 0.1340 0.120 Uiso 1 1 calc R . .
C18 C 0.3449(8) -0.0969(17) 0.2028(9) 0.116(6) Uani 1 1 d . . .
C19 C 0.3777(9) -0.048(2) 0.2646(12) 0.165(9) Uani 1 1 d . A .
H19 H 0.4233 -0.0680 0.2883 0.197 Uiso 1 1 calc R . .
C20 C 0.3501(8) 0.030(2) 0.2967(9) 0.183(11) Uani 1 1 d D . .
C21 C 0.2829(7) 0.0490(18) 0.2620(8) 0.131(7) Uani 1 1 d . A .
O1 O 0.2488(5) 0.1167(14) 0.2895(6) 0.172(6) Uani 1 1 d . . .
C22 C 0.2777(8) 0.148(2) 0.3599(9) 0.159(9) Uani 1 1 d . A .
C23 C 0.3451(9) 0.1347(18) 0.3938(9) 0.168(10) Uani 1 1 d D . .
C24 C 0.3915(11) 0.1145(17) 0.3537(8) 0.143(14) Uiso 0.50 1 d PD A 1
C41 C 0.4571(9) 0.053(2) 0.4014(10) 0.099(9) Uiso 0.50 1 d PD A 1
H41A H 0.4441 -0.0153 0.4163 0.148 Uiso 0.50 1 calc PR A 1
H41B H 0.4818 0.0992 0.4391 0.148 Uiso 0.50 1 calc PR A 1
H41C H 0.4859 0.0359 0.3783 0.148 Uiso 0.50 1 calc PR A 1
C42 C 0.4011(18) 0.226(2) 0.3235(16) 0.161(15) Uiso 0.50 1 d PD A 1
H42A H 0.3570 0.2545 0.2948 0.241 Uiso 0.50 1 calc PR A 1
H42B H 0.4284 0.2138 0.2984 0.241 Uiso 0.50 1 calc PR A 1
H42C H 0.4237 0.2780 0.3586 0.241 Uiso 0.50 1 calc PR A 1
C24' C 0.3903(12) 0.0497(18) 0.3736(10) 0.161(16) Uiso 0.50 1 d PD A 2
C41' C 0.4588(10) 0.109(4) 0.3846(16) 0.223(18) Uiso 0.50 1 d PD A 2
H41D H 0.4491 0.1771 0.3592 0.335 Uiso 0.50 1 calc PR A 2
H41E H 0.4865 0.0616 0.3705 0.335 Uiso 0.50 1 calc PR A 2
H41F H 0.4830 0.1265 0.4310 0.335 Uiso 0.50 1 calc PR A 2
C42' C 0.395(2) -0.061(2) 0.4109(16) 0.223(18) Uiso 0.50 1 d PD A 2
H42D H 0.3495 -0.0910 0.3990 0.335 Uiso 0.50 1 calc PR A 2
H42E H 0.4159 -0.0484 0.4579 0.335 Uiso 0.50 1 calc PR A 2
H42F H 0.4221 -0.1135 0.3988 0.335 Uiso 0.50 1 calc PR A 2
C25 C 0.3719(10) 0.162(2) 0.4663(10) 0.179(10) Uani 1 1 d . A .
H25 H 0.4183 0.1513 0.4922 0.215 Uiso 1 1 calc R . .
C26 C 0.3295(10) 0.2031(16) 0.4970(9) 0.130(6) Uani 1 1 d . . .
C27 C 0.2631(9) 0.2177(16) 0.4571(8) 0.126(6) Uani 1 1 d . A .
H27 H 0.2331 0.2467 0.4743 0.151 Uiso 1 1 calc R . .
C28 C 0.2379(7) 0.1888(15) 0.3876(8) 0.109(5) Uani 1 1 d . . .
C29 C 0.1647(8) 0.2035(15) 0.3461(7) 0.091(4) Uani 1 1 d . A .
C30 C 0.1367(10) 0.3074(13) 0.3444(7) 0.098(5) Uani 1 1 d . . .
H30 H 0.1653 0.3665 0.3657 0.118 Uiso 1 1 calc R A .
C31 C 0.0677(8) 0.3252(13) 0.3119(6) 0.079(4) Uani 1 1 d . A .
H31 H 0.0491 0.3962 0.3088 0.095 Uiso 1 1 calc R . .
C32 C 0.0278(7) 0.2374(14) 0.2847(6) 0.075(4) Uani 1 1 d . . .
C33 C 0.0560(8) 0.1350(13) 0.2853(7) 0.077(4) Uani 1 1 d . A .
H33 H 0.0274 0.0758 0.2641 0.092 Uiso 1 1 calc R . .
C34 C 0.1221(8) 0.1183(13) 0.3149(7) 0.085(4) Uani 1 1 d . . .
H34 H 0.1400 0.0477 0.3145 0.102 Uiso 1 1 calc R A .
C35 C -0.0454(8) 0.2564(14) 0.2558(7) 0.078(4) Uani 1 1 d . A .
C36 C -0.1541(8) 0.166(2) 0.2039(11) 0.176(9) Uani 1 1 d . . .
H36A H -0.1722 0.0927 0.1906 0.264 Uiso 1 1 calc R . .
H36B H -0.1685 0.2137 0.1656 0.264 Uiso 1 1 calc R . .
H36C H -0.1709 0.1952 0.2353 0.264 Uiso 1 1 calc R . .
C37 C 0.3785(8) -0.1757(18) 0.1747(10) 0.149(8) Uani 1 1 d D . .
C38 C 0.3392(9) -0.211(2) 0.1037(10) 0.240(16) Uani 1 1 d D . .
H38A H 0.3266 -0.1460 0.0756 0.360 Uiso 1 1 calc R . .
H38B H 0.2984 -0.2501 0.0999 0.360 Uiso 1 1 calc R . .
H38C H 0.3674 -0.2586 0.0901 0.360 Uiso 1 1 calc R . .
C39 C 0.4445(10) -0.1253(19) 0.1787(12) 0.211(12) Uani 1 1 d D . .
H39A H 0.4351 -0.0554 0.1554 0.317 Uiso 1 1 calc R . .
H39B H 0.4661 -0.1748 0.1587 0.317 Uiso 1 1 calc R . .
H39C H 0.4745 -0.1132 0.2244 0.317 Uiso 1 1 calc R . .
C40 C 0.3971(13) -0.280(2) 0.2157(12) 0.260(16) Uani 1 1 d D . .
H40A H 0.4192 -0.3311 0.1970 0.390 Uiso 1 1 calc R . .
H40B H 0.3562 -0.3136 0.2159 0.390 Uiso 1 1 calc R . .
H40C H 0.4278 -0.2620 0.2604 0.390 Uiso 1 1 calc R . .
C43 C 0.3621(9) 0.2277(16) 0.5740(8) 0.140(7) Uani 1 1 d D A .
C44 C 0.4264(10) 0.297(2) 0.5928(12) 0.256(17) Uani 1 1 d D . .
H44A H 0.4590 0.2584 0.5803 0.384 Uiso 1 1 calc R A .
H44B H 0.4461 0.3096 0.6399 0.384 Uiso 1 1 calc R . .
H44C H 0.4152 0.3673 0.5700 0.384 Uiso 1 1 calc R . .
C45 C 0.3816(12) 0.1240(17) 0.6163(10) 0.213(12) Uani 1 1 d D . .
H45A H 0.4141 0.0817 0.6056 0.319 Uiso 1 1 calc R A .
H45B H 0.3413 0.0798 0.6077 0.319 Uiso 1 1 calc R . .
H45C H 0.4018 0.1444 0.6624 0.319 Uiso 1 1 calc R . .
C46 C 0.3138(10) 0.291(2) 0.5948(11) 0.262(18) Uani 1 1 d D . .
H46A H 0.3019 0.3601 0.5706 0.393 Uiso 1 1 calc R A .
H46B H 0.3355 0.3066 0.6416 0.393 Uiso 1 1 calc R . .
H46C H 0.2731 0.2480 0.5857 0.393 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 0.0915(4) 0.0728(3) 0.0515(3) 0.0036(3) 0.0344(2) 0.0059(3)
Cl1 0.087(2) 0.109(3) 0.096(3) -0.006(2) 0.033(2) 0.012(2)
Cl2 0.106(4) 0.113(4) 0.185(6) -0.006(4) 0.060(4) 0.002(4)
O2 0.105(8) 0.145(11) 0.098(8) 0.021(7) 0.042(6) 0.045(8)
O3 0.103(9) 0.157(12) 0.116(9) -0.007(8) 0.047(7) 0.001(8)
O7 0.26(2) 0.22(2) 0.25(2) 0.095(19) 0.029(19) -0.039(16)
O4 0.129(10) 0.125(10) 0.220(16) -0.041(10) 0.076(11) -0.001(8)
O5 0.25(3) 0.33(3) 0.88(9) -0.03(4) 0.41(4) -0.04(2)
O6 0.162(13) 0.140(13) 0.50(4) -0.163(19) 0.045(17) -0.028(11)
C1 0.149(13) 0.116(13) 0.057(8) 0.032(8) 0.063(9) 0.057(11)
C2 0.180(17) 0.048(9) 0.112(13) 0.004(8) 0.099(13) 0.012(9)
C3 0.183(17) 0.068(10) 0.084(11) 0.021(8) 0.081(12) 0.021(11)
C4 0.150(13) 0.077(9) 0.060(8) 0.006(7) 0.055(9) 0.006(10)
C5 0.108(10) 0.057(7) 0.048(7) 0.002(5) 0.051(7) 0.013(7)
C6 0.057(8) 0.147(13) 0.056(8) 0.023(8) 0.040(7) 0.013(8)
C7 0.109(12) 0.085(10) 0.060(8) -0.011(7) 0.051(8) 0.004(8)
C8 0.098(11) 0.083(9) 0.068(8) -0.013(7) 0.050(8) -0.007(8)
C9 0.110(11) 0.076(10) 0.057(7) 0.011(6) 0.048(8) 0.006(8)
C10 0.068(8) 0.090(9) 0.047(6) 0.025(7) 0.026(6) 0.009(8)
C11 0.059(7) 0.091(10) 0.045(7) 0.003(6) 0.015(6) -0.009(7)
C12 0.113(11) 0.062(8) 0.059(8) 0.003(6) 0.042(8) 0.011(8)
C13 0.120(11) 0.060(8) 0.053(7) -0.008(6) 0.036(8) -0.011(8)
C14 0.122(12) 0.081(10) 0.073(9) -0.011(7) 0.060(9) -0.020(9)
C15 0.097(10) 0.094(11) 0.072(9) -0.001(8) 0.036(8) -0.006(9)
C16 0.051(8) 0.173(15) 0.078(10) -0.035(10) 0.029(8) -0.010(8)
C17 0.090(11) 0.140(14) 0.086(10) -0.008(10) 0.051(9) -0.008(10)
C18 0.067(11) 0.189(18) 0.089(12) -0.005(12) 0.028(10) 0.029(11)
C19 0.068(11) 0.27(3) 0.15(2) -0.033(19) 0.038(13) 0.022(14)
C20 0.073(12) 0.32(3) 0.141(18) -0.11(2) 0.031(12) 0.003(16)
C21 0.060(9) 0.23(2) 0.097(12) -0.057(14) 0.024(9) 0.006(12)
O1 0.086(7) 0.309(18) 0.111(9) -0.093(11) 0.030(7) 0.019(9)
C22 0.052(10) 0.31(3) 0.091(13) -0.069(16) 0.005(9) 0.012(13)
C23 0.109(14) 0.27(3) 0.111(15) -0.077(16) 0.026(12) 0.046(15)
C25 0.117(15) 0.28(3) 0.120(16) -0.066(18) 0.024(13) 0.043(17)
C26 0.127(15) 0.158(17) 0.096(13) -0.025(12) 0.035(13) 0.028(13)
C27 0.108(13) 0.181(18) 0.066(10) -0.034(11) 0.011(10) 0.031(12)
C28 0.062(9) 0.152(15) 0.108(13) -0.037(11) 0.029(10) 0.015(9)
C29 0.110(13) 0.102(12) 0.075(10) -0.012(9) 0.052(9) 0.003(10)
C30 0.149(15) 0.088(11) 0.065(9) -0.022(8) 0.050(10) -0.040(11)
C31 0.092(11) 0.097(11) 0.043(7) -0.004(7) 0.021(7) 0.022(9)
C32 0.081(10) 0.109(12) 0.042(7) 0.012(7) 0.031(7) 0.014(10)
C33 0.075(10) 0.097(11) 0.067(9) 0.009(7) 0.038(8) 0.008(8)
C34 0.107(12) 0.080(10) 0.066(9) 0.000(8) 0.033(9) 0.006(9)
C35 0.098(13) 0.086(11) 0.061(8) 0.014(8) 0.044(9) 0.005(10)
C36 0.071(12) 0.26(3) 0.18(2) -0.02(2) 0.030(13) -0.012(14)
C37 0.063(11) 0.23(2) 0.145(19) 0.009(18) 0.036(12) 0.052(14)
C38 0.122(16) 0.37(4) 0.18(3) -0.07(3) 0.019(17) 0.11(2)
C39 0.19(2) 0.25(3) 0.24(3) -0.06(2) 0.14(2) 0.02(2)
C40 0.33(4) 0.23(3) 0.22(3) 0.00(3) 0.11(3) 0.10(3)
C43 0.149(17) 0.173(19) 0.078(13) -0.021(13) 0.023(12) 0.024(15)
C44 0.18(2) 0.37(4) 0.21(3) -0.16(3) 0.07(2) -0.14(3)
C45 0.26(3) 0.24(3) 0.082(15) -0.006(17) 0.014(17) 0.04(2)
C46 0.20(2) 0.37(4) 0.14(2) -0.12(2) -0.010(18) 0.12(3)

_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 N2 1.785(6) . ?
Pt1 N1 1.992(6) . ?
Pt1 N3 2.016(6) . ?
Pt1 Cl1 2.224(4) . ?
Cl2 O5 1.26(3) . ?
Cl2 O4 1.316(13) . ?
Cl2 O6 1.334(14) . ?
Cl2 O7 1.352(19) . ?
O2 C35 1.175(15) . ?
O3 C35 1.338(17) . ?
O3 C36 1.442(17) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.397(9) . ?
N2 C6 1.3900 . ?
N2 C10 1.3900 . ?
C6 C7 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C8 C16 1.428(14) . ?
C9 C10 1.3900 . ?
C10 C11 1.422(8) . ?
N3 C11 1.3900 . ?
N3 C15 1.3900 . ?
C11 C12 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C16 C17 1.369(19) . ?
C16 C21 1.410(19) . ?
C17 C18 1.306(19) . ?
C18 C19 1.38(2) . ?
C18 C37 1.46(2) . ?
C19 C20 1.43(3) . ?
C20 C21 1.34(2) . ?
C20 C24' 1.574(13) . ?
C20 C24 1.575(13) . ?
C21 O1 1.379(18) . ?
O1 C22 1.467(19) . ?
C22 C28 1.32(2) . ?
C22 C23 1.33(2) . ?
C23 C25 1.50(2) . ?
C23 C24' 1.581(13) . ?
C23 C24 1.583(13) . ?
C24 C42 1.540(13) . ?
C24 C41 1.555(13) . ?
C24' C42' 1.547(13) . ?
C24' C41' 1.552(13) . ?
C25 C26 1.41(2) . ?
C26 C27 1.34(2) . ?
C26 C43 1.58(2) . ?
C27 C28 1.44(2) . ?
C28 C29 1.464(19) . ?
C29 C34 1.357(19) . ?
C29 C30 1.376(19) . ?
C30 C31 1.366(18) . ?
C31 C32 1.334(18) . ?
C32 C33 1.366(17) . ?
C32 C35 1.444(19) . ?
C33 C34 1.304(17) . ?
C37 C39 1.498(15) . ?
C37 C40 1.499(15) . ?
C37 C38 1.504(15) . ?
C43 C46 1.490(15) . ?
C43 C45 1.508(15) . ?
C43 C44 1.510(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Pt1 N1 81.6(4) . . ?
N2 Pt1 N3 82.7(3) . . ?
N1 Pt1 N3 164.2(3) . . ?
N2 Pt1 Cl1 178.8(3) . . ?
N1 Pt1 Cl1 98.9(3) . . ?
N3 Pt1 Cl1 96.8(2) . . ?
O5 Cl2 O4 108(2) . . ?
O5 Cl2 O6 110.6(17) . . ?
O4 Cl2 O6 113.3(10) . . ?
O5 Cl2 O7 96(2) . . ?
O4 Cl2 O7 108.8(12) . . ?
O6 Cl2 O7 118.1(17) . . ?
C35 O3 C36 118.2(15) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Pt1 127.6(5) . . ?
C5 N1 Pt1 112.4(5) . . ?
C2 C1 N1 120.0 . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 126.5(7) . . ?
N1 C5 C6 113.4(7) . . ?
C6 N2 C10 120.0 . . ?
C6 N2 Pt1 120.4(5) . . ?
C10 N2 Pt1 119.4(5) . . ?
C7 C6 N2 120.0 . . ?
C7 C6 C5 127.8(7) . . ?
N2 C6 C5 112.1(7) . . ?
C8 C7 C6 120.0 . . ?
C7 C8 C9 120.0 . . ?
C7 C8 C16 121.9(9) . . ?
C9 C8 C16 118.1(9) . . ?
C10 C9 C8 120.0 . . ?
C9 C10 N2 120.0 . . ?
C9 C10 C11 127.0(6) . . ?
N2 C10 C11 113.0(6) . . ?
C11 N3 C15 120.0 . . ?
C11 N3 Pt1 111.3(5) . . ?
C15 N3 Pt1 128.7(5) . . ?
C12 C11 N3 120.0 . . ?
C12 C11 C10 126.6(6) . . ?
N3 C11 C10 113.4(6) . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C15 N3 120.0 . . ?
C17 C16 C21 121.0(13) . . ?
C17 C16 C8 119.7(13) . . ?
C21 C16 C8 119.3(13) . . ?
C18 C17 C16 122.8(16) . . ?
C17 C18 C19 114.2(16) . . ?
C17 C18 C37 122.1(18) . . ?
C19 C18 C37 123.4(16) . . ?
C18 C19 C20 128.1(16) . . ?
C21 C20 C19 112.6(15) . . ?
C21 C20 C24' 125.4(18) . . ?
C19 C20 C24' 118.2(16) . . ?
C21 C20 C24 118.1(17) . . ?
C19 C20 C24 127.1(15) . . ?
C24' C20 C24 33.1(10) . . ?
C20 C21 O1 118.6(15) . . ?
C20 C21 C16 121.0(16) . . ?
O1 C21 C16 120.2(13) . . ?
C21 O1 C22 122.8(13) . . ?
C28 C22 C23 122.2(16) . . ?
C28 C22 O1 120.5(14) . . ?
C23 C22 O1 117.2(16) . . ?
C22 C23 C25 115.5(15) . . ?
C22 C23 C24' 124.0(18) . . ?
C25 C23 C24' 115.2(15) . . ?
C22 C23 C24 118.7(16) . . ?
C25 C23 C24 124.8(15) . . ?
C24' C23 C24 33.0(10) . . ?
C42 C24 C41 118(2) . . ?
C42 C24 C20 110.0(11) . . ?
C41 C24 C20 107.0(10) . . ?
C42 C24 C23 109.0(11) . . ?
C41 C24 C23 106.8(10) . . ?
C20 C24 C23 105.5(16) . . ?
C42' C24' C41' 117(2) . . ?
C42' C24' C20 109.4(11) . . ?
C41' C24' C20 107.8(11) . . ?
C42' C24' C23 108.9(11) . . ?
C41' C24' C23 107.2(11) . . ?
C20 C24' C23 105.5(16) . . ?
C26 C25 C23 122.9(16) . . ?
C27 C26 C25 116.0(17) . . ?
C27 C26 C43 124.7(16) . . ?
C25 C26 C43 119.3(17) . . ?
C26 C27 C28 120.4(16) . . ?
C22 C28 C27 122.9(14) . . ?
C22 C28 C29 118.5(15) . . ?
C27 C28 C29 118.6(14) . . ?
C34 C29 C30 118.4(15) . . ?
C34 C29 C28 123.4(16) . . ?
C30 C29 C28 117.8(16) . . ?
C31 C30 C29 121.3(14) . . ?
C32 C31 C30 117.7(14) . . ?
C31 C32 C33 120.7(13) . . ?
C31 C32 C35 116.8(15) . . ?
C33 C32 C35 122.5(15) . . ?
C34 C33 C32 121.6(15) . . ?
C33 C34 C29 120.2(15) . . ?
O2 C35 O3 125.3(16) . . ?
O2 C35 C32 123.3(16) . . ?
O3 C35 C32 111.4(15) . . ?
C18 C37 C39 108.6(17) . . ?
C18 C37 C40 110.0(18) . . ?
C39 C37 C40 106.7(11) . . ?
C18 C37 C38 117.2(15) . . ?
C39 C37 C38 106.9(12) . . ?
C40 C37 C38 106.9(13) . . ?
C46 C43 C45 106.7(12) . . ?
C46 C43 C44 107.1(12) . . ?
C45 C43 C44 107.0(12) . . ?
C46 C43 C26 111.5(15) . . ?
C45 C43 C26 113.5(15) . . ?
C44 C43 C26 110.7(17) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         3.732
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.211