# 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        'Philip Miller'
_publ_contact_author_email       PHILIP.MILLER@IMPERIAL.AC.UK

_publ_section_title              
;
Synthesis, characterisation and coordination chemistry
of a new multidentate N2P2N2 ligand system
;
loop_
_publ_author_name
'Philip Miller'
'Nicholas Long'
'Andrew J. P. White'

# Attachment 'Dalton_03-09.cif'

data_Compound_2
_database_code_depnum_ccdc_archive 'CCDC 724551'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Cl2 N8 P2 Pd, C H2 Cl2'
_chemical_formula_sum            'C35 H42 Cl4 N8 P2 Pd'
_chemical_formula_weight         884.91

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'
P P 0.1023 0.0942 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)

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

_cell_length_a                   8.76972(13)
_cell_length_b                   20.6503(3)
_cell_length_c                   11.06358(17)
_cell_angle_alpha                90
_cell_angle_beta                 96.2403(14)
_cell_angle_gamma                90
_cell_volume                     1991.71(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    25843
_cell_measurement_theta_min      3.8249
_cell_measurement_theta_max      32.3099

_exptl_crystal_description       'blocky needles'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.29
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             904
_exptl_absorpt_coefficient_mu    0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.81657
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 15.9863
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28071
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.83
_diffrn_reflns_theta_max         32.36
_reflns_number_total             12040
_reflns_number_gt                11728
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

#Results of chirality/polarity tests
#_refine_ls_R_factor_obs+ 0.0281
#_refine_ls_wR_factor_obs+ 0.0714
#_refine_ls_abs_structure_Flack+ 0.071(14)
#_refine_ls_R_factor_obs- 0.0329
#_refine_ls_wR_factor_obs- 0.0841
#_refine_ls_abs_structure_Flack- 0.929(14)

_chemical_absolute_configuration ad
_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^)+(0.0374P)^2^+0.9912P] 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_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881, 5281 Friedel pairs'
_refine_ls_abs_structure_Flack   0.069(14)
_refine_ls_number_reflns         12040
_refine_ls_number_parameters     499
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0295
_refine_ls_R_factor_gt           0.0281
_refine_ls_wR_factor_ref         0.0730
_refine_ls_wR_factor_gt          0.0714
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.124
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd 0.712788(14) 0.689862(7) 0.728329(12) 0.01674(3) Uani 1 1 d . . .
Cl1 Cl 0.44639(5) 0.70045(3) 0.74287(5) 0.02497(11) Uani 1 1 d . . .
Cl2 Cl 0.78960(7) 0.77410(3) 0.86725(6) 0.03341(12) Uani 1 1 d . . .
P1 P 0.95543(6) 0.66891(3) 0.70317(5) 0.01883(9) Uani 1 1 d . . .
P2 P 0.65279(6) 0.60785(2) 0.60303(5) 0.01665(9) Uani 1 1 d . . .
C1 C 0.9623(2) 0.60328(10) 0.5958(2) 0.0233(4) Uani 1 1 d . . .
C2 C 1.1002(3) 0.57961(13) 0.5603(3) 0.0370(6) Uani 1 1 d . . .
H2A H 1.1955 0.5952 0.5983 0.044 Uiso 1 1 calc R . .
C3 C 1.0968(4) 0.53328(16) 0.4695(4) 0.0475(8) Uani 1 1 d . . .
H3A H 1.1902 0.5162 0.4467 0.057 Uiso 1 1 calc R . .
C4 C 0.9592(4) 0.51185(14) 0.4121(3) 0.0421(7) Uani 1 1 d . . .
H4A H 0.9590 0.4817 0.3473 0.050 Uiso 1 1 calc R . .
C5 C 0.8192(3) 0.53351(12) 0.4471(2) 0.0312(5) Uani 1 1 d . . .
H5A H 0.7246 0.5178 0.4079 0.037 Uiso 1 1 calc R . .
C6 C 0.8221(2) 0.57895(10) 0.5414(2) 0.0217(4) Uani 1 1 d . . .
C11 C 1.0627(3) 0.73746(11) 0.6456(2) 0.0249(4) Uani 1 1 d . . .
H11A H 1.0833 0.7696 0.7119 0.030 Uiso 1 1 calc R . .
H11B H 1.1629 0.7212 0.6252 0.030 Uiso 1 1 calc R . .
N12 N 0.9865(2) 0.77013(10) 0.5400(2) 0.0295(4) Uani 1 1 d . . .
C13 C 1.0324(3) 0.75691(12) 0.4259(2) 0.0294(4) Uani 1 1 d . . .
N14 N 1.1265(3) 0.70689(12) 0.4194(2) 0.0362(5) Uani 1 1 d . . .
C15 C 1.1702(3) 0.6922(2) 0.3105(3) 0.0460(6) Uani 1 1 d . . .
H15A H 1.2367 0.6562 0.3053 0.055 Uiso 1 1 calc R . .
C16 C 1.1246(4) 0.7260(2) 0.2055(3) 0.0522(8) Uani 1 1 d . . .
H16A H 1.1588 0.7138 0.1301 0.063 Uiso 1 1 calc R . .
C17 C 1.0282(4) 0.7779(2) 0.2132(3) 0.0507(8) Uani 1 1 d . . .
H17A H 0.9950 0.8023 0.1424 0.061 Uiso 1 1 calc R . .
C18 C 0.9794(3) 0.79471(15) 0.3236(3) 0.0388(6) Uani 1 1 d . . .
H18A H 0.9126 0.8304 0.3304 0.047 Uiso 1 1 calc R . .
C19 C 0.9006(4) 0.82823(14) 0.5606(3) 0.0400(6) Uani 1 1 d . . .
H19A H 0.9659 0.8663 0.5537 0.060 Uiso 1 1 calc R . .
H19B H 0.8669 0.8268 0.6421 0.060 Uiso 1 1 calc R . .
H19C H 0.8108 0.8310 0.4998 0.060 Uiso 1 1 calc R . .
C21 C 1.0815(3) 0.64731(13) 0.8420(2) 0.0310(5) Uani 1 1 d . A .
H21A H 1.1833 0.6347 0.8187 0.037 Uiso 1 1 calc R . .
H21B H 1.0961 0.6860 0.8948 0.037 Uiso 1 1 calc R . .
N22 N 1.0227(3) 0.59501(13) 0.9107(2) 0.0403(5) Uani 1 1 d D . .
C23 C 1.0844(4) 0.5381(2) 0.9253(6) 0.0370(10) Uani 0.734(19) 1 d PGDU A 1
N24 N 1.1854(4) 0.52438(16) 0.8402(7) 0.0398(11) Uani 0.734(19) 1 d PG A 1
C25 C 1.2519(4) 0.46338(17) 0.8373(8) 0.0524(19) Uani 0.734(19) 1 d PG A 1
H25A H 1.3209 0.4540 0.7791 0.063 Uiso 0.734(19) 1 calc PR A 1
C26 C 1.2174(5) 0.41607(18) 0.9194(9) 0.065(2) Uani 0.734(19) 1 d PG A 1
H26A H 1.2629 0.3744 0.9174 0.078 Uiso 0.734(19) 1 calc PR A 1
C27 C 1.1164(6) 0.4297(2) 1.0045(8) 0.062(2) Uani 0.734(19) 1 d PG A 1
H27A H 1.0928 0.3974 1.0606 0.074 Uiso 0.734(19) 1 calc PR A 1
C28 C 1.0498(6) 0.4907(3) 1.0074(6) 0.0490(16) Uani 0.734(19) 1 d PG A 1
H28A H 0.9808 0.5001 1.0656 0.059 Uiso 0.734(19) 1 calc PR A 1
C23' C 1.0961(12) 0.5308(4) 0.8964(9) 0.0169(17) Uiso 0.266(19) 1 d PGDU A 2
N24' N 1.1833(12) 0.5190(4) 0.8010(11) 0.030(2) Uiso 0.266(19) 1 d PG A 2
C25' C 1.2528(15) 0.4590(5) 0.7909(14) 0.068(6) Uiso 0.266(19) 1 d PG A 2
H25B H 1.3124 0.4510 0.7257 0.082 Uiso 0.266(19) 1 calc PR A 2
C26' C 1.2352(19) 0.4109(5) 0.8761(14) 0.065(5) Uiso 0.266(19) 1 d PG A 2
H26B H 1.2827 0.3699 0.8691 0.077 Uiso 0.266(19) 1 calc PR A 2
C27' C 1.148(2) 0.4227(4) 0.9714(11) 0.046(4) Uiso 0.266(19) 1 d PG A 2
H27B H 1.1360 0.3898 1.0297 0.055 Uiso 0.266(19) 1 calc PR A 2
C28' C 1.0785(17) 0.4827(5) 0.9816(8) 0.039(3) Uiso 0.266(19) 1 d PG A 2
H28B H 1.0190 0.4908 1.0468 0.047 Uiso 0.266(19) 1 calc PR A 2
C29 C 0.9173(4) 0.6119(2) 0.9992(3) 0.0504(8) Uani 1 1 d . A .
H29A H 0.8324 0.5808 0.9936 0.076 Uiso 1 1 calc R . .
H29B H 0.8767 0.6556 0.9822 0.076 Uiso 1 1 calc R . .
H29C H 0.9719 0.6107 1.0813 0.076 Uiso 1 1 calc R . .
C31 C 0.5722(3) 0.53979(11) 0.6890(2) 0.0249(4) Uani 1 1 d . . .
H31A H 0.5851 0.5510 0.7765 0.030 Uiso 1 1 calc R . .
H31B H 0.4607 0.5370 0.6633 0.030 Uiso 1 1 calc R . .
N32 N 0.6381(3) 0.47664(10) 0.6750(2) 0.0305(4) Uani 1 1 d . . .
C33 C 0.5901(3) 0.43889(11) 0.5764(3) 0.0278(5) Uani 1 1 d . . .
N34 N 0.4728(2) 0.46135(10) 0.5005(2) 0.0303(4) Uani 1 1 d . . .
C35 C 0.4242(3) 0.42529(15) 0.4034(3) 0.0383(6) Uani 1 1 d . . .
H35A H 0.3414 0.4412 0.3490 0.046 Uiso 1 1 calc R . .
C36 C 0.4873(4) 0.36617(15) 0.3777(4) 0.0461(7) Uani 1 1 d . . .
H36A H 0.4485 0.3418 0.3082 0.055 Uiso 1 1 calc R . .
C37 C 0.6077(4) 0.34390(15) 0.4558(4) 0.0504(8) Uani 1 1 d . . .
H37A H 0.6541 0.3036 0.4403 0.060 Uiso 1 1 calc R . .
C38 C 0.6619(3) 0.37924(13) 0.5559(3) 0.0423(7) Uani 1 1 d . . .
H38A H 0.7456 0.3641 0.6103 0.051 Uiso 1 1 calc R . .
C39 C 0.7802(4) 0.46187(16) 0.7515(3) 0.0474(8) Uani 1 1 d . . .
H39A H 0.7739 0.4182 0.7853 0.071 Uiso 1 1 calc R . .
H39B H 0.7952 0.4933 0.8181 0.071 Uiso 1 1 calc R . .
H39C H 0.8668 0.4642 0.7027 0.071 Uiso 1 1 calc R . .
C41 C 0.5064(3) 0.62189(11) 0.47466(19) 0.0241(4) Uani 1 1 d . B .
H41A H 0.4663 0.5796 0.4431 0.029 Uiso 1 1 calc R . .
H41B H 0.4200 0.6462 0.5036 0.029 Uiso 1 1 calc R . .
N42 N 0.5641(3) 0.65776(13) 0.37642(19) 0.0322(5) Uani 1 1 d D . .
C43 C 0.5458(4) 0.6410(2) 0.26271(17) 0.0301(8) Uani 0.711(11) 1 d PGDU B 1
N44 N 0.4802(4) 0.5801(2) 0.2432(2) 0.0397(10) Uani 0.711(11) 1 d PG B 1
C45 C 0.4468(4) 0.5568(3) 0.1254(3) 0.0518(17) Uani 0.711(11) 1 d PG B 1
H45A H 0.4019 0.5152 0.1121 0.062 Uiso 0.711(11) 1 calc PR B 1
C46 C 0.4791(4) 0.5944(3) 0.02714(18) 0.0546(19) Uani 0.711(11) 1 d PG B 1
H46A H 0.4563 0.5785 -0.0534 0.066 Uiso 0.711(11) 1 calc PR B 1
C47 C 0.5448(4) 0.6553(3) 0.04665(19) 0.0548(17) Uani 0.711(11) 1 d PG B 1
H47A H 0.5668 0.6810 -0.0205 0.066 Uiso 0.711(11) 1 calc PR B 1
C48 C 0.5781(4) 0.6786(2) 0.1644(2) 0.0455(13) Uani 0.711(11) 1 d PG B 1
H48A H 0.6230 0.7202 0.1778 0.055 Uiso 0.711(11) 1 calc PR B 1
C43' C 0.5367(9) 0.6226(3) 0.2586(5) 0.0128(14) Uiso 0.289(11) 1 d PGDU B 2
N44' N 0.4888(11) 0.5584(4) 0.2570(6) 0.037(2) Uiso 0.289(11) 1 d PG B 2
C45' C 0.4604(12) 0.5257(5) 0.1471(8) 0.063(4) Uiso 0.289(11) 1 d PG B 2
H45B H 0.4276 0.4818 0.1460 0.076 Uiso 0.289(11) 1 calc PR B 2
C46' C 0.4799(13) 0.5571(6) 0.0388(6) 0.052(3) Uiso 0.289(11) 1 d PG B 2
H46B H 0.4605 0.5347 -0.0364 0.062 Uiso 0.289(11) 1 calc PR B 2
C47' C 0.5278(13) 0.6213(6) 0.0403(5) 0.051(3) Uiso 0.289(11) 1 d PG B 2
H47B H 0.5412 0.6428 -0.0337 0.062 Uiso 0.289(11) 1 calc PR B 2
C48' C 0.5562(11) 0.6540(4) 0.1502(7) 0.043(3) Uiso 0.289(11) 1 d PG B 2
H48B H 0.5890 0.6979 0.1513 0.051 Uiso 0.289(11) 1 calc PR B 2
C49 C 0.5964(5) 0.72582(17) 0.3975(3) 0.0465(8) Uani 1 1 d . B .
H49A H 0.6973 0.7362 0.3722 0.070 Uiso 1 1 calc R . .
H49B H 0.5961 0.7355 0.4842 0.070 Uiso 1 1 calc R . .
H49C H 0.5177 0.7519 0.3503 0.070 Uiso 1 1 calc R . .
C50 C 0.5883(13) 0.3302(7) 0.0328(10) 0.071(3) Uiso 0.384(3) 1 d PD C 1
H50A H 0.5251 0.3626 0.0705 0.086 Uiso 0.384(3) 1 calc PR C 1
H50B H 0.5576 0.2867 0.0588 0.086 Uiso 0.384(3) 1 calc PR C 1
Cl3 Cl 0.5529(5) 0.3360(2) -0.1266(4) 0.0699(9) Uani 0.384(3) 1 d PD C 1
Cl4 Cl 0.7788(5) 0.3428(4) 0.0828(5) 0.115(2) Uani 0.384(3) 1 d PDU C 1
C50' C 0.6017(12) 0.3548(6) 0.0856(10) 0.068(3) Uiso 0.491(10) 1 d PD D 2
H50C H 0.5722 0.3181 0.1356 0.081 Uiso 0.491(10) 1 calc PR D 2
H50D H 0.5160 0.3863 0.0791 0.081 Uiso 0.491(10) 1 calc PR D 2
Cl3' Cl 0.6233(11) 0.3267(3) -0.0564(7) 0.122(2) Uani 0.491(10) 1 d PDU D 2
Cl4' Cl 0.7636(5) 0.3921(4) 0.1617(5) 0.111(2) Uani 0.491(10) 1 d PDU D 2
C50" C 0.627(3) 0.3476(10) 0.110(2) 0.039(6) Uiso 0.125(9) 1 d PD E 3
H50E H 0.5140 0.3501 0.0983 0.046 Uiso 0.125(9) 1 calc PR E 3
H50F H 0.6574 0.3197 0.1818 0.046 Uiso 0.125(9) 1 calc PR E 3
Cl3" Cl 0.697(2) 0.3149(6) -0.0188(15) 0.074(4) Uani 0.125(9) 1 d PDU E 3
Cl4" Cl 0.704(3) 0.4244(9) 0.135(2) 0.106(7) Uani 0.125(9) 1 d PDU E 3

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
Pd 0.01484(5) 0.01590(5) 0.01939(5) -0.00109(5) 0.00144(4) -0.00062(5)
Cl1 0.01688(18) 0.0315(3) 0.0273(2) -0.00100(18) 0.00598(15) 0.00195(17)
Cl2 0.0344(3) 0.0289(3) 0.0367(3) -0.0140(2) 0.0026(2) -0.0064(2)
P1 0.01374(19) 0.01636(18) 0.0262(2) 0.00267(17) 0.00152(17) -0.00018(16)
P2 0.01452(19) 0.0173(2) 0.0183(2) -0.00105(16) 0.00267(16) -0.00111(16)
C1 0.0182(8) 0.0196(9) 0.0328(11) -0.0010(8) 0.0061(8) 0.0030(7)
C2 0.0207(10) 0.0294(11) 0.0630(18) -0.0051(11) 0.0141(11) 0.0039(9)
C3 0.0313(13) 0.0390(15) 0.076(2) -0.0153(15) 0.0224(14) 0.0070(11)
C4 0.0437(15) 0.0307(12) 0.0560(17) -0.0149(12) 0.0245(13) -0.0002(11)
C5 0.0323(12) 0.0259(10) 0.0368(12) -0.0093(9) 0.0106(9) -0.0028(9)
C6 0.0212(9) 0.0175(8) 0.0274(9) -0.0014(7) 0.0078(7) 0.0001(7)
C11 0.0203(9) 0.0208(9) 0.0331(10) 0.0048(8) 0.0011(8) -0.0030(7)
N12 0.0287(9) 0.0260(9) 0.0339(10) 0.0108(8) 0.0035(8) 0.0024(8)
C13 0.0235(10) 0.0309(11) 0.0335(11) 0.0079(9) 0.0013(8) -0.0048(8)
N14 0.0284(10) 0.0442(13) 0.0353(10) 0.0023(9) 0.0004(8) 0.0049(8)
C15 0.0359(12) 0.0638(18) 0.0378(12) -0.0074(17) 0.0019(9) 0.0028(18)
C16 0.0468(17) 0.077(2) 0.0334(14) -0.0050(14) 0.0052(12) -0.0122(16)
C17 0.0533(18) 0.063(2) 0.0340(14) 0.0140(14) -0.0035(12) -0.0138(16)
C18 0.0374(13) 0.0378(14) 0.0401(14) 0.0145(11) -0.0015(11) -0.0054(11)
C19 0.0450(15) 0.0271(12) 0.0481(16) 0.0064(10) 0.0060(12) 0.0095(11)
C21 0.0189(9) 0.0311(11) 0.0409(13) 0.0133(9) -0.0067(9) -0.0053(8)
N22 0.0314(11) 0.0393(12) 0.0487(13) 0.0228(10) -0.0015(9) -0.0026(9)
C23 0.0323(18) 0.0354(19) 0.041(2) 0.0133(18) -0.0059(17) -0.0054(15)
N24 0.0405(19) 0.0296(17) 0.047(3) 0.0090(17) -0.0036(18) -0.0040(13)
C25 0.041(2) 0.026(2) 0.090(6) 0.011(2) 0.004(2) -0.0015(16)
C26 0.055(3) 0.026(2) 0.109(6) 0.028(3) -0.011(4) 0.0000(19)
C27 0.051(3) 0.042(3) 0.090(5) 0.040(3) -0.001(3) -0.004(2)
C28 0.037(2) 0.045(3) 0.063(3) 0.035(2) -0.004(2) -0.008(2)
C29 0.0540(19) 0.063(2) 0.0349(14) 0.0115(14) 0.0070(13) -0.0123(16)
C31 0.0276(10) 0.0205(9) 0.0274(10) -0.0008(7) 0.0063(8) -0.0057(8)
N32 0.0309(10) 0.0190(8) 0.0402(11) 0.0019(7) -0.0027(8) -0.0024(7)
C33 0.0223(10) 0.0175(9) 0.0441(13) -0.0024(8) 0.0054(9) -0.0041(8)
N34 0.0233(9) 0.0232(8) 0.0441(11) -0.0085(8) 0.0018(8) -0.0004(7)
C35 0.0291(12) 0.0335(14) 0.0515(16) -0.0160(12) 0.0009(11) -0.0016(10)
C36 0.0375(14) 0.0324(13) 0.069(2) -0.0235(14) 0.0061(14) -0.0035(11)
C37 0.0427(16) 0.0258(12) 0.084(2) -0.0193(14) 0.0127(16) 0.0028(11)
C38 0.0299(12) 0.0242(11) 0.072(2) -0.0036(12) 0.0007(13) 0.0038(9)
C39 0.0457(17) 0.0320(13) 0.0595(18) 0.0104(12) -0.0179(14) -0.0027(11)
C41 0.0204(9) 0.0310(11) 0.0200(9) -0.0022(7) -0.0022(7) -0.0025(8)
N42 0.0333(11) 0.0421(12) 0.0206(9) 0.0047(8) -0.0002(8) -0.0040(9)
C43 0.0285(16) 0.035(2) 0.0266(15) -0.0006(14) 0.0023(12) -0.0008(16)
N44 0.052(2) 0.047(3) 0.0198(14) -0.0110(15) 0.0036(13) -0.0011(19)
C45 0.053(3) 0.077(4) 0.026(2) -0.027(2) 0.0091(18) -0.008(3)
C46 0.049(3) 0.096(6) 0.0189(17) -0.015(2) 0.0049(15) -0.006(3)
C47 0.057(3) 0.090(5) 0.0196(17) 0.0017(19) 0.0124(16) -0.006(3)
C48 0.048(2) 0.068(4) 0.0215(15) 0.0038(18) 0.0082(13) -0.013(2)
C49 0.057(2) 0.0406(16) 0.0398(15) 0.0142(12) -0.0062(14) -0.0108(14)
Cl3 0.070(2) 0.079(2) 0.064(2) 0.0005(16) 0.0212(16) 0.0027(16)
Cl4 0.085(3) 0.159(5) 0.096(3) 0.056(3) -0.009(2) -0.038(3)
Cl3' 0.142(6) 0.126(4) 0.112(4) -0.023(3) 0.072(4) -0.004(4)
Cl4' 0.073(2) 0.122(4) 0.141(4) 0.040(3) 0.020(2) -0.023(2)
Cl3" 0.097(8) 0.058(5) 0.075(6) -0.013(4) 0.039(6) -0.005(5)
Cl4" 0.115(10) 0.083(8) 0.126(10) -0.002(7) 0.035(8) -0.025(7)

_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
Pd P2 2.2154(5) . ?
Pd P1 2.2184(5) . ?
Pd Cl1 2.3692(5) . ?
Pd Cl2 2.3700(6) . ?
P1 C1 1.808(2) . ?
P1 C21 1.847(2) . ?
P1 C11 1.850(2) . ?
P2 C6 1.802(2) . ?
P2 C41 1.831(2) . ?
P2 C31 1.878(2) . ?
C1 C2 1.400(3) . ?
C1 C6 1.401(3) . ?
C2 C3 1.385(4) . ?
C3 C4 1.375(5) . ?
C4 C5 1.400(4) . ?
C5 C6 1.401(3) . ?
C11 N12 1.448(3) . ?
N12 C13 1.393(3) . ?
N12 C19 1.448(3) . ?
C13 N14 1.329(3) . ?
C13 C18 1.411(3) . ?
N14 C15 1.338(4) . ?
C15 C16 1.377(5) . ?
C16 C17 1.374(6) . ?
C17 C18 1.382(5) . ?
C21 N22 1.448(3) . ?
N22 C23 1.297(5) . ?
N22 C29 1.460(5) . ?
N22 C23' 1.490(8) . ?
C23 N24 1.3900 . ?
C23 C28 1.3900 . ?
N24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C23' N24' 1.3900 . ?
C23' C28' 1.3900 . ?
N24' C25' 1.3900 . ?
C25' C26' 1.3900 . ?
C26' C27' 1.3900 . ?
C27' C28' 1.3900 . ?
C31 N32 1.441(3) . ?
N32 C33 1.369(3) . ?
N32 C39 1.461(4) . ?
C33 N34 1.339(3) . ?
C33 C38 1.413(4) . ?
N34 C35 1.338(4) . ?
C35 C36 1.383(4) . ?
C36 C37 1.369(5) . ?
C37 C38 1.368(5) . ?
C41 N42 1.451(3) . ?
N42 C43 1.298(3) . ?
N42 C49 1.448(4) . ?
N42 C43' 1.489(6) . ?
C43 N44 1.3900 . ?
C43 C48 1.3900 . ?
N44 C45 1.3900 . ?
C45 C46 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C43' N44' 1.3900 . ?
C43' C48' 1.3900 . ?
N44' C45' 1.3900 . ?
C45' C46' 1.3900 . ?
C46' C47' 1.3900 . ?
C47' C48' 1.3900 . ?
C50 Cl4 1.722(11) . ?
C50 Cl3 1.762(11) . ?
C50' Cl3' 1.704(9) . ?
C50' Cl4' 1.749(10) . ?
C50" Cl4" 1.732(14) . ?
C50" Cl3" 1.749(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
P2 Pd P1 86.46(2) . . ?
P2 Pd Cl1 86.801(19) . . ?
P1 Pd Cl1 173.16(2) . . ?
P2 Pd Cl2 176.66(2) . . ?
P1 Pd Cl2 90.90(2) . . ?
Cl1 Pd Cl2 95.80(2) . . ?
C1 P1 C21 107.81(12) . . ?
C1 P1 C11 107.04(11) . . ?
C21 P1 C11 100.95(10) . . ?
C1 P1 Pd 109.24(7) . . ?
C21 P1 Pd 116.01(9) . . ?
C11 P1 Pd 115.10(8) . . ?
C6 P2 C41 107.23(10) . . ?
C6 P2 C31 108.33(10) . . ?
C41 P2 C31 103.93(10) . . ?
C6 P2 Pd 109.91(7) . . ?
C41 P2 Pd 117.59(8) . . ?
C31 P2 Pd 109.40(7) . . ?
C2 C1 C6 119.9(2) . . ?
C2 C1 P1 122.51(19) . . ?
C6 C1 P1 117.43(15) . . ?
C3 C2 C1 119.6(3) . . ?
C4 C3 C2 120.4(2) . . ?
C3 C4 C5 121.5(3) . . ?
C4 C5 C6 118.3(2) . . ?
C5 C6 C1 120.3(2) . . ?
C5 C6 P2 123.66(18) . . ?
C1 C6 P2 116.06(16) . . ?
N12 C11 P1 115.28(16) . . ?
C13 N12 C19 120.7(2) . . ?
C13 N12 C11 119.1(2) . . ?
C19 N12 C11 117.5(2) . . ?
N14 C13 N12 116.3(2) . . ?
N14 C13 C18 122.6(3) . . ?
N12 C13 C18 121.1(2) . . ?
C13 N14 C15 117.7(3) . . ?
N14 C15 C16 124.0(4) . . ?
C17 C16 C15 117.8(3) . . ?
C16 C17 C18 120.2(3) . . ?
C17 C18 C13 117.6(3) . . ?
N22 C21 P1 113.69(17) . . ?
C23 N22 C21 125.0(3) . . ?
C23 N22 C29 114.8(4) . . ?
C21 N22 C29 117.5(3) . . ?
C21 N22 C23' 115.1(5) . . ?
C29 N22 C23' 126.6(5) . . ?
N22 C23 N24 112.8(3) . . ?
N22 C23 C28 126.9(3) . . ?
N24 C23 C28 120.0 . . ?
C23 N24 C25 120.0 . . ?
N24 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C26 C27 C28 120.0 . . ?
C27 C28 C23 120.0 . . ?
N24' C23' C28' 120.0 . . ?
N24' C23' N22 121.1(6) . . ?
C28' C23' N22 118.9(6) . . ?
C25' N24' C23' 120.0 . . ?
N24' C25' C26' 120.0 . . ?
C27' C26' C25' 120.0 . . ?
C26' C27' C28' 120.0 . . ?
C27' C28' C23' 120.0 . . ?
N32 C31 P2 116.48(16) . . ?
C33 N32 C31 120.6(2) . . ?
C33 N32 C39 120.8(2) . . ?
C31 N32 C39 116.9(2) . . ?
N34 C33 N32 116.8(2) . . ?
N34 C33 C38 121.8(3) . . ?
N32 C33 C38 121.3(3) . . ?
C35 N34 C33 117.8(2) . . ?
N34 C35 C36 123.8(3) . . ?
C37 C36 C35 117.7(3) . . ?
C38 C37 C36 120.5(3) . . ?
C37 C38 C33 118.2(3) . . ?
N42 C41 P2 112.91(16) . . ?
C43 N42 C49 114.6(3) . . ?
C43 N42 C41 124.9(3) . . ?
C49 N42 C41 116.9(2) . . ?
C49 N42 C43' 128.7(3) . . ?
C41 N42 C43' 111.7(3) . . ?
N42 C43 N44 113.4(2) . . ?
N42 C43 C48 126.5(2) . . ?
N44 C43 C48 120.0 . . ?
C43 N44 C45 120.0 . . ?
C46 C45 N44 120.0 . . ?
C45 C46 C47 120.0 . . ?
C48 C47 C46 120.0 . . ?
C47 C48 C43 120.0 . . ?
N44' C43' C48' 120.0 . . ?
N44' C43' N42 119.7(4) . . ?
C48' C43' N42 120.3(4) . . ?
C45' N44' C43' 120.0 . . ?
N44' C45' C46' 120.0 . . ?
C45' C46' C47' 120.0 . . ?
C48' C47' C46' 120.0 . . ?
C47' C48' C43' 120.0 . . ?
Cl4 C50 Cl3 111.8(7) . . ?
Cl3' C50' Cl4' 115.4(6) . . ?
Cl4" C50" Cl3" 108.6(11) . . ?

_diffrn_measured_fraction_theta_max 0.926
_diffrn_reflns_theta_full        31.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.575
_refine_diff_density_min         -0.520
_refine_diff_density_rms         0.072

#===END

data_Compound_3
_database_code_depnum_ccdc_archive 'CCDC 724552'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Cl2 N8 P2 Pt'
_chemical_formula_sum            'C34 H40 Cl2 N8 P2 Pt'
_chemical_formula_weight         888.67

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'
Cl Cl 0.3639 0.7018 '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_H-M   P-1

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

_cell_length_a                   8.72951(16)
_cell_length_b                   11.3275(3)
_cell_length_c                   19.0652(4)
_cell_angle_alpha                82.7178(19)
_cell_angle_beta                 88.0625(16)
_cell_angle_gamma                71.5368(19)
_cell_volume                     1773.73(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    20551
_cell_measurement_theta_min      2.3351
_cell_measurement_theta_max      71.2129

_exptl_crystal_description       needles
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             884
_exptl_absorpt_coefficient_mu    9.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.44283
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OD Xcalibur PX Ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.2556
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27156
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0168
_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       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         71.41
_reflns_number_total             6780
_reflns_number_gt                6275
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+2.2157P] 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     SHELXL
_refine_ls_extinction_coef       0.00063(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         6780
_refine_ls_number_parameters     429
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0482
_refine_ls_wR_factor_gt          0.0478
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.424968(13) 0.577046(10) 0.172400(6) 0.01805(5) Uani 1 1 d . . .
Cl1 Cl 0.68729(8) 0.59416(6) 0.17227(3) 0.02504(13) Uani 1 1 d . . .
Cl2 Cl 0.33315(8) 0.75003(6) 0.08408(3) 0.02664(14) Uani 1 1 d . . .
P1 P 0.18293(8) 0.55521(6) 0.18373(3) 0.01901(13) Uani 1 1 d . . .
P2 P 0.51187(8) 0.41463(6) 0.25438(3) 0.01827(13) Uani 1 1 d . . .
C1 C 0.1959(3) 0.4214(2) 0.24996(14) 0.0210(5) Uani 1 1 d . . .
C2 C 0.0609(4) 0.3827(3) 0.26827(16) 0.0297(6) Uani 1 1 d . . .
H2A H -0.0422 0.4297 0.2487 0.036 Uiso 1 1 calc R . .
C3 C 0.0795(4) 0.2750(3) 0.31541(17) 0.0328(7) Uani 1 1 d . . .
H3A H -0.0118 0.2492 0.3291 0.039 Uiso 1 1 calc R . .
C4 C 0.2313(4) 0.2048(3) 0.34265(16) 0.0299(6) Uani 1 1 d . . .
H4A H 0.2437 0.1296 0.3735 0.036 Uiso 1 1 calc R . .
C5 C 0.3642(3) 0.2434(2) 0.32535(14) 0.0230(5) Uani 1 1 d . . .
H5A H 0.4674 0.1955 0.3446 0.028 Uiso 1 1 calc R . .
C6 C 0.3463(3) 0.3533(2) 0.27945(13) 0.0205(5) Uani 1 1 d . . .
C11 C 0.0249(3) 0.6948(3) 0.21045(15) 0.0261(6) Uani 1 1 d . . .
H11A H -0.0045 0.7599 0.1690 0.031 Uiso 1 1 calc R . .
H11B H -0.0726 0.6711 0.2246 0.031 Uiso 1 1 calc R . .
N12 N 0.0718(3) 0.7482(2) 0.26784(14) 0.0323(6) Uani 1 1 d . . .
C13 C 0.0244(4) 0.7223(3) 0.33575(16) 0.0295(6) Uani 1 1 d . . .
N14 N -0.0555(3) 0.6374(3) 0.34803(14) 0.0373(6) Uani 1 1 d . . .
C15 C -0.1039(5) 0.6123(3) 0.41478(18) 0.0424(8) Uani 1 1 d . . .
H15A H -0.1619 0.5537 0.4236 0.051 Uiso 1 1 calc R . .
C16 C -0.0727(5) 0.6677(4) 0.47074(19) 0.0481(9) Uani 1 1 d . . .
H16A H -0.1078 0.6483 0.5172 0.058 Uiso 1 1 calc R . .
C17 C 0.0112(4) 0.7523(4) 0.45650(19) 0.0462(9) Uani 1 1 d . . .
H17A H 0.0361 0.7913 0.4939 0.055 Uiso 1 1 calc R . .
C18 C 0.0591(4) 0.7810(3) 0.38972(18) 0.0363(7) Uani 1 1 d . . .
H18A H 0.1155 0.8404 0.3802 0.044 Uiso 1 1 calc R . .
C19 C 0.1424(5) 0.8487(3) 0.2505(2) 0.0488(9) Uani 1 1 d . . .
H19A H 0.0637 0.9286 0.2598 0.073 Uiso 1 1 calc R . .
H19B H 0.1720 0.8534 0.2004 0.073 Uiso 1 1 calc R . .
H19C H 0.2391 0.8318 0.2797 0.073 Uiso 1 1 calc R . .
C21 C 0.0865(3) 0.5289(3) 0.10494(14) 0.0240(6) Uani 1 1 d . . .
H21A H -0.0075 0.5014 0.1205 0.029 Uiso 1 1 calc R . .
H21B H 0.0453 0.6097 0.0743 0.029 Uiso 1 1 calc R . .
N22 N 0.1902(3) 0.4376(2) 0.06341(13) 0.0276(5) Uani 1 1 d . . .
C23 C 0.1664(4) 0.3229(3) 0.06272(15) 0.0269(6) Uani 1 1 d . . .
N24 N 0.0742(3) 0.2895(2) 0.11390(15) 0.0349(6) Uani 1 1 d . . .
C25 C 0.0538(5) 0.1773(3) 0.1153(2) 0.0456(9) Uani 1 1 d . . .
H25A H -0.0111 0.1536 0.1519 0.055 Uiso 1 1 calc R . .
C26 C 0.1192(5) 0.0935(3) 0.0679(2) 0.0502(9) Uani 1 1 d . . .
H26A H 0.1005 0.0149 0.0712 0.060 Uiso 1 1 calc R . .
C27 C 0.2146(5) 0.1295(3) 0.0148(2) 0.0455(9) Uani 1 1 d . . .
H27A H 0.2628 0.0745 -0.0192 0.055 Uiso 1 1 calc R . .
C28 C 0.2394(4) 0.2436(3) 0.01115(17) 0.0352(7) Uani 1 1 d . . .
H28A H 0.3039 0.2688 -0.0251 0.042 Uiso 1 1 calc R . .
C29 C 0.2747(4) 0.4871(3) 0.00537(15) 0.0314(6) Uani 1 1 d . . .
H29A H 0.3755 0.4223 -0.0042 0.047 Uiso 1 1 calc R . .
H29B H 0.2993 0.5601 0.0185 0.047 Uiso 1 1 calc R . .
H29C H 0.2062 0.5121 -0.0371 0.047 Uiso 1 1 calc R . .
C31 C 0.6859(3) 0.2834(2) 0.22981(15) 0.0234(6) Uani 1 1 d . . .
H31A H 0.7696 0.3181 0.2081 0.028 Uiso 1 1 calc R . .
H31B H 0.7329 0.2281 0.2734 0.028 Uiso 1 1 calc R . .
N32 N 0.6466(3) 0.2091(2) 0.18154(12) 0.0264(5) Uani 1 1 d . . .
C33 C 0.6275(3) 0.0945(3) 0.20607(15) 0.0251(6) Uani 1 1 d . . .
N34 N 0.6829(3) 0.0447(2) 0.27148(13) 0.0274(5) Uani 1 1 d . . .
C35 C 0.6648(4) -0.0662(3) 0.29627(17) 0.0332(7) Uani 1 1 d . . .
H35A H 0.7018 -0.1011 0.3430 0.040 Uiso 1 1 calc R . .
C36 C 0.5969(5) -0.1324(3) 0.2591(2) 0.0440(8) Uani 1 1 d . . .
H36A H 0.5881 -0.2112 0.2790 0.053 Uiso 1 1 calc R . .
C37 C 0.5413(5) -0.0808(3) 0.1914(2) 0.0466(9) Uani 1 1 d . . .
H37A H 0.4939 -0.1245 0.1638 0.056 Uiso 1 1 calc R . .
C38 C 0.5550(4) 0.0340(3) 0.16391(18) 0.0366(7) Uani 1 1 d . . .
H38A H 0.5162 0.0711 0.1177 0.044 Uiso 1 1 calc R . .
C39 C 0.6090(4) 0.2643(3) 0.10888(16) 0.0352(7) Uani 1 1 d . . .
H39A H 0.6639 0.2027 0.0771 0.053 Uiso 1 1 calc R . .
H39B H 0.6456 0.3381 0.0993 0.053 Uiso 1 1 calc R . .
H39C H 0.4921 0.2894 0.1012 0.053 Uiso 1 1 calc R . .
C41 C 0.5880(3) 0.4603(3) 0.33486(14) 0.0244(6) Uani 1 1 d . . .
H41A H 0.7073 0.4247 0.3358 0.029 Uiso 1 1 calc R . .
H41B H 0.5610 0.5527 0.3289 0.029 Uiso 1 1 calc R . .
N42 N 0.5289(3) 0.4229(2) 0.40296(12) 0.0273(5) Uani 1 1 d . . .
C43 C 0.5918(4) 0.3008(3) 0.43477(14) 0.0263(6) Uani 1 1 d . . .
N44 N 0.7201(3) 0.2278(2) 0.40313(13) 0.0274(5) Uani 1 1 d . . .
C45 C 0.7793(4) 0.1072(3) 0.43048(17) 0.0355(7) Uani 1 1 d . . .
H45A H 0.8693 0.0549 0.4077 0.043 Uiso 1 1 calc R . .
C46 C 0.7189(5) 0.0544(3) 0.48896(19) 0.0466(9) Uani 1 1 d . . .
H46A H 0.7641 -0.0320 0.5060 0.056 Uiso 1 1 calc R . .
C47 C 0.5887(5) 0.1319(4) 0.52261(19) 0.0479(9) Uani 1 1 d . . .
H47A H 0.5445 0.0989 0.5638 0.058 Uiso 1 1 calc R . .
C48 C 0.5245(4) 0.2553(3) 0.49647(16) 0.0367(7) Uani 1 1 d . . .
H48A H 0.4364 0.3093 0.5193 0.044 Uiso 1 1 calc R . .
C49 C 0.3702(4) 0.5011(3) 0.42325(17) 0.0384(8) Uani 1 1 d . . .
H49A H 0.2880 0.4645 0.4114 0.058 Uiso 1 1 calc R . .
H49B H 0.3469 0.5856 0.3977 0.058 Uiso 1 1 calc R . .
H49C H 0.3690 0.5057 0.4743 0.058 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt 0.01902(7) 0.01828(6) 0.01798(6) -0.00115(4) -0.00045(4) -0.00782(4)
Cl1 0.0208(3) 0.0277(3) 0.0294(3) -0.0018(3) 0.0001(2) -0.0121(3)
Cl2 0.0319(4) 0.0227(3) 0.0244(3) 0.0040(2) -0.0034(3) -0.0095(3)
P1 0.0182(3) 0.0198(3) 0.0196(3) -0.0009(2) -0.0011(2) -0.0073(3)
P2 0.0186(3) 0.0182(3) 0.0188(3) -0.0008(2) -0.0014(2) -0.0074(2)
C1 0.0225(14) 0.0230(13) 0.0193(12) -0.0014(10) 0.0010(10) -0.0102(11)
C2 0.0238(15) 0.0336(15) 0.0335(15) 0.0028(12) -0.0006(12) -0.0140(12)
C3 0.0260(16) 0.0382(17) 0.0360(16) 0.0069(13) -0.0011(13) -0.0171(13)
C4 0.0345(17) 0.0279(15) 0.0282(15) 0.0068(12) -0.0009(12) -0.0148(13)
C5 0.0215(14) 0.0231(13) 0.0228(13) 0.0014(10) -0.0037(11) -0.0060(11)
C6 0.0228(14) 0.0237(13) 0.0170(12) -0.0022(10) -0.0007(10) -0.0103(11)
C11 0.0222(14) 0.0251(14) 0.0282(14) -0.0036(11) -0.0009(11) -0.0035(11)
N12 0.0342(14) 0.0338(13) 0.0342(14) -0.0117(11) 0.0056(11) -0.0159(11)
C13 0.0218(15) 0.0290(15) 0.0333(15) -0.0088(12) 0.0010(12) -0.0002(12)
N14 0.0407(16) 0.0350(14) 0.0333(14) -0.0059(11) 0.0003(12) -0.0071(12)
C15 0.048(2) 0.0406(18) 0.0365(18) -0.0019(14) 0.0004(15) -0.0122(16)
C16 0.052(2) 0.053(2) 0.0307(17) -0.0054(15) 0.0019(16) -0.0045(18)
C17 0.040(2) 0.050(2) 0.0421(19) -0.0172(16) -0.0091(15) 0.0006(16)
C18 0.0266(16) 0.0382(17) 0.0418(18) -0.0127(14) -0.0034(13) -0.0034(13)
C19 0.059(2) 0.046(2) 0.054(2) -0.0223(17) 0.0197(18) -0.0306(18)
C21 0.0226(14) 0.0261(13) 0.0240(13) -0.0010(11) -0.0052(11) -0.0088(11)
N22 0.0292(13) 0.0315(13) 0.0264(12) -0.0070(10) 0.0036(10) -0.0147(10)
C23 0.0244(15) 0.0285(14) 0.0267(14) -0.0026(11) -0.0032(11) -0.0064(12)
N24 0.0338(15) 0.0283(13) 0.0422(15) -0.0042(11) 0.0090(12) -0.0101(11)
C25 0.045(2) 0.0273(16) 0.063(2) -0.0015(15) 0.0132(18) -0.0126(15)
C26 0.051(2) 0.0267(17) 0.073(3) -0.0065(17) 0.0045(19) -0.0115(16)
C27 0.053(2) 0.0327(17) 0.049(2) -0.0145(15) 0.0013(17) -0.0061(16)
C28 0.0400(19) 0.0350(17) 0.0300(15) -0.0072(13) -0.0004(13) -0.0094(14)
C29 0.0369(18) 0.0389(17) 0.0231(14) -0.0041(12) 0.0010(12) -0.0186(14)
C31 0.0223(14) 0.0225(13) 0.0264(14) -0.0027(11) -0.0009(11) -0.0086(11)
N32 0.0368(14) 0.0221(11) 0.0221(11) -0.0041(9) -0.0009(10) -0.0113(10)
C33 0.0236(14) 0.0233(13) 0.0280(14) -0.0075(11) 0.0023(11) -0.0052(11)
N34 0.0310(13) 0.0216(11) 0.0278(12) -0.0019(9) -0.0016(10) -0.0060(10)
C35 0.0383(18) 0.0247(14) 0.0338(16) -0.0011(12) 0.0034(13) -0.0071(13)
C36 0.054(2) 0.0226(15) 0.057(2) -0.0020(14) -0.0019(18) -0.0166(15)
C37 0.054(2) 0.0357(18) 0.058(2) -0.0124(16) -0.0102(18) -0.0209(16)
C38 0.045(2) 0.0296(16) 0.0363(17) -0.0061(13) -0.0115(14) -0.0117(14)
C39 0.046(2) 0.0330(16) 0.0250(15) -0.0026(12) -0.0019(13) -0.0104(14)
C41 0.0276(15) 0.0240(13) 0.0234(13) -0.0035(11) -0.0045(11) -0.0099(11)
N42 0.0280(13) 0.0272(12) 0.0217(11) -0.0045(9) -0.0022(9) -0.0009(10)
C43 0.0291(15) 0.0306(15) 0.0196(13) -0.0023(11) -0.0043(11) -0.0097(12)
N44 0.0270(13) 0.0282(12) 0.0254(12) -0.0031(10) -0.0032(10) -0.0062(10)
C45 0.0375(18) 0.0306(16) 0.0326(16) -0.0015(13) -0.0027(13) -0.0032(13)
C46 0.062(2) 0.0325(17) 0.0394(19) 0.0062(14) -0.0034(17) -0.0098(16)
C47 0.058(2) 0.051(2) 0.0323(18) 0.0060(15) 0.0079(16) -0.0195(18)
C48 0.0355(18) 0.0441(18) 0.0268(15) -0.0004(13) 0.0056(13) -0.0095(14)
C49 0.0338(18) 0.0414(18) 0.0310(16) -0.0094(14) -0.0012(13) 0.0031(14)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt P1 2.2043(7) . ?
Pt P2 2.2069(6) . ?
Pt Cl1 2.3584(6) . ?
Pt Cl2 2.3616(6) . ?
P1 C1 1.822(3) . ?
P1 C21 1.847(3) . ?
P1 C11 1.854(3) . ?
P2 C6 1.818(3) . ?
P2 C31 1.853(3) . ?
P2 C41 1.884(3) . ?
C1 C6 1.390(4) . ?
C1 C2 1.401(4) . ?
C2 C3 1.389(4) . ?
C3 C4 1.390(4) . ?
C4 C5 1.381(4) . ?
C5 C6 1.396(4) . ?
C11 N12 1.444(4) . ?
N12 C13 1.370(4) . ?
N12 C19 1.456(4) . ?
C13 N14 1.351(4) . ?
C13 C18 1.383(4) . ?
N14 C15 1.351(4) . ?
C15 C16 1.380(5) . ?
C16 C17 1.377(6) . ?
C17 C18 1.359(5) . ?
C21 N22 1.443(4) . ?
N22 C23 1.380(4) . ?
N22 C29 1.461(4) . ?
C23 N24 1.338(4) . ?
C23 C28 1.414(4) . ?
N24 C25 1.335(4) . ?
C25 C26 1.371(5) . ?
C26 C27 1.393(6) . ?
C27 C28 1.369(5) . ?
C31 N32 1.440(3) . ?
N32 C33 1.382(4) . ?
N32 C39 1.449(4) . ?
C33 N34 1.340(4) . ?
C33 C38 1.402(4) . ?
N34 C35 1.340(4) . ?
C35 C36 1.365(5) . ?
C36 C37 1.384(5) . ?
C37 C38 1.379(5) . ?
C41 N42 1.444(4) . ?
N42 C43 1.383(4) . ?
N42 C49 1.458(4) . ?
C43 N44 1.340(4) . ?
C43 C48 1.409(4) . ?
N44 C45 1.340(4) . ?
C45 C46 1.368(5) . ?
C46 C47 1.391(5) . ?
C47 C48 1.365(5) . ?

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
P1 Pt P2 88.16(2) . . ?
P1 Pt Cl1 174.40(2) . . ?
P2 Pt Cl1 87.26(2) . . ?
P1 Pt Cl2 92.01(2) . . ?
P2 Pt Cl2 179.59(3) . . ?
Cl1 Pt Cl2 92.59(2) . . ?
C1 P1 C21 106.35(12) . . ?
C1 P1 C11 108.88(13) . . ?
C21 P1 C11 100.64(13) . . ?
C1 P1 Pt 108.03(9) . . ?
C21 P1 Pt 118.34(10) . . ?
C11 P1 Pt 114.02(10) . . ?
C6 P2 C31 108.03(12) . . ?
C6 P2 C41 109.39(12) . . ?
C31 P2 C41 103.13(13) . . ?
C6 P2 Pt 108.77(9) . . ?
C31 P2 Pt 116.04(9) . . ?
C41 P2 Pt 111.24(9) . . ?
C6 C1 C2 120.2(2) . . ?
C6 C1 P1 118.2(2) . . ?
C2 C1 P1 121.5(2) . . ?
C3 C2 C1 119.3(3) . . ?
C2 C3 C4 120.2(3) . . ?
C5 C4 C3 120.6(3) . . ?
C4 C5 C6 119.7(3) . . ?
C1 C6 C5 119.9(2) . . ?
C1 C6 P2 116.59(19) . . ?
C5 C6 P2 123.5(2) . . ?
N12 C11 P1 114.4(2) . . ?
C13 N12 C11 120.8(3) . . ?
C13 N12 C19 119.8(3) . . ?
C11 N12 C19 118.3(3) . . ?
N14 C13 N12 117.8(3) . . ?
N14 C13 C18 121.5(3) . . ?
N12 C13 C18 120.7(3) . . ?
C13 N14 C15 118.1(3) . . ?
N14 C15 C16 123.0(4) . . ?
C17 C16 C15 117.3(3) . . ?
C18 C17 C16 121.0(3) . . ?
C17 C18 C13 119.0(3) . . ?
N22 C21 P1 115.08(19) . . ?
C23 N22 C21 120.1(2) . . ?
C23 N22 C29 120.4(2) . . ?
C21 N22 C29 115.8(2) . . ?
N24 C23 N22 116.9(3) . . ?
N24 C23 C28 121.8(3) . . ?
N22 C23 C28 121.3(3) . . ?
C25 N24 C23 117.7(3) . . ?
N24 C25 C26 125.1(3) . . ?
C25 C26 C27 116.7(3) . . ?
C28 C27 C26 120.4(3) . . ?
C27 C28 C23 118.3(3) . . ?
N32 C31 P2 114.32(19) . . ?
C33 N32 C31 120.4(2) . . ?
C33 N32 C39 121.1(2) . . ?
C31 N32 C39 118.1(2) . . ?
N34 C33 N32 116.5(2) . . ?
N34 C33 C38 122.3(3) . . ?
N32 C33 C38 121.1(3) . . ?
C35 N34 C33 117.4(3) . . ?
N34 C35 C36 124.5(3) . . ?
C35 C36 C37 117.7(3) . . ?
C38 C37 C36 119.9(3) . . ?
C37 C38 C33 118.1(3) . . ?
N42 C41 P2 117.6(2) . . ?
C43 N42 C41 119.9(2) . . ?
C43 N42 C49 120.1(3) . . ?
C41 N42 C49 116.5(2) . . ?
N44 C43 N42 116.0(3) . . ?
N44 C43 C48 121.9(3) . . ?
N42 C43 C48 122.1(3) . . ?
C43 N44 C45 117.7(3) . . ?
N44 C45 C46 124.3(3) . . ?
C45 C46 C47 117.5(3) . . ?
C48 C47 C46 120.1(3) . . ?
C47 C48 C43 118.5(3) . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        71.41
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.074

#===END

data_Compound_4
_database_code_depnum_ccdc_archive 'CCDC 724553'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 N8 P2 Pt, C3 H6 O, 2(Cl O4)'
_chemical_formula_sum            'C37 H46 Cl2 N8 O9 P2 Pt'
_chemical_formula_weight         1074.75

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'
P P 0.1023 0.0942 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/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                   18.35407(18)
_cell_length_b                   16.07748(18)
_cell_length_c                   14.12043(14)
_cell_angle_alpha                90
_cell_angle_beta                 90.4399(8)
_cell_angle_gamma                90
_cell_volume                     4166.64(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    39557
_cell_measurement_theta_min      3.7952
_cell_measurement_theta_max      32.2740

_exptl_crystal_description       blocks
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2152
_exptl_absorpt_coefficient_mu    3.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68312
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 15.9863
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            52846
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0203
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.84
_diffrn_reflns_theta_max         32.39
_reflns_number_total             13229
_reflns_number_gt                11448
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0307P)^2^+8.4134P] 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         13229
_refine_ls_number_parameters     590
_refine_ls_number_restraints     236
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0800
_refine_ls_wR_factor_gt          0.0715
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.126
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.288194(5) 0.586222(7) 0.488596(7) 0.02431(3) Uani 1 1 d . . .
P1 P 0.19235(4) 0.57842(5) 0.57934(5) 0.02585(14) Uani 1 1 d . . .
P2 P 0.29767(4) 0.45084(5) 0.49852(5) 0.02596(14) Uani 1 1 d . . .
C1 C 0.17043(17) 0.4699(2) 0.5972(2) 0.0318(6) Uani 1 1 d . . .
C2 C 0.1119(2) 0.4425(3) 0.6517(3) 0.0423(8) Uani 1 1 d . . .
H2A H 0.0784 0.4814 0.6775 0.051 Uiso 1 1 calc R . .
C3 C 0.1032(2) 0.3577(3) 0.6677(3) 0.0501(10) Uani 1 1 d . . .
H3A H 0.0638 0.3389 0.7055 0.060 Uiso 1 1 calc R . .
C4 C 0.1504(2) 0.3005(3) 0.6299(3) 0.0502(9) Uani 1 1 d . . .
H4A H 0.1435 0.2429 0.6419 0.060 Uiso 1 1 calc R . .
C5 C 0.2081(2) 0.3265(2) 0.5744(3) 0.0440(8) Uani 1 1 d . . .
H5A H 0.2401 0.2869 0.5470 0.053 Uiso 1 1 calc R . .
C6 C 0.21868(17) 0.4110(2) 0.5592(2) 0.0322(6) Uani 1 1 d . . .
C11 C 0.12178(16) 0.6236(2) 0.5048(2) 0.0343(6) Uani 1 1 d . . .
H11A H 0.1076 0.5819 0.4566 0.041 Uiso 1 1 calc R . .
H11B H 0.0786 0.6341 0.5446 0.041 Uiso 1 1 calc R . .
N12 N 0.14002(14) 0.7010(2) 0.45576(18) 0.0353(6) Uani 1 1 d . . .
C13 C 0.19982(17) 0.7498(2) 0.46738(19) 0.0315(6) Uani 1 1 d . . .
N14 N 0.26738(14) 0.71586(17) 0.48547(16) 0.0289(5) Uani 1 1 d . . .
C15 C 0.32435(18) 0.7675(2) 0.5042(2) 0.0320(6) Uani 1 1 d . . .
H15A H 0.3692 0.7429 0.5232 0.038 Uiso 1 1 calc R . .
C16 C 0.3218(2) 0.8515(2) 0.4977(2) 0.0431(8) Uani 1 1 d . . .
H16A H 0.3634 0.8849 0.5104 0.052 Uiso 1 1 calc R . .
C17 C 0.2552(3) 0.8864(3) 0.4715(3) 0.0519(10) Uani 1 1 d . . .
H17A H 0.2514 0.9449 0.4633 0.062 Uiso 1 1 calc R . .
C18 C 0.1950(2) 0.8373(2) 0.4576(2) 0.0430(8) Uani 1 1 d . . .
H18A H 0.1496 0.8622 0.4412 0.052 Uiso 1 1 calc R . .
C19 C 0.0741(2) 0.7383(3) 0.4148(3) 0.0508(10) Uani 1 1 d . . .
H19A H 0.0491 0.7710 0.4633 0.076 Uiso 1 1 calc R . .
H19B H 0.0416 0.6942 0.3917 0.076 Uiso 1 1 calc R . .
H19C H 0.0875 0.7746 0.3620 0.076 Uiso 1 1 calc R . .
C21 C 0.18972(17) 0.6245(2) 0.6986(2) 0.0316(6) Uani 1 1 d . . .
H21A H 0.1385 0.6263 0.7199 0.038 Uiso 1 1 calc R . .
H21B H 0.2169 0.5878 0.7428 0.038 Uiso 1 1 calc R . .
N22 N 0.21995(14) 0.70725(17) 0.70454(19) 0.0320(5) Uani 1 1 d . . .
C23 C 0.17399(16) 0.7749(2) 0.70221(19) 0.0281(5) Uani 1 1 d . . .
N24 N 0.10777(14) 0.76161(19) 0.66472(18) 0.0337(5) Uani 1 1 d . . .
C25 C 0.06083(19) 0.8252(3) 0.6629(2) 0.0411(8) Uani 1 1 d . . .
H25A H 0.0137 0.8158 0.6366 0.049 Uiso 1 1 calc R . .
C26 C 0.0769(2) 0.9035(2) 0.6971(3) 0.0469(9) Uani 1 1 d . . .
H26A H 0.0421 0.9472 0.6939 0.056 Uiso 1 1 calc R . .
C27 C 0.1452(2) 0.9163(2) 0.7361(3) 0.0456(9) Uani 1 1 d . . .
H27A H 0.1577 0.9694 0.7610 0.055 Uiso 1 1 calc R . .
C28 C 0.19513(19) 0.8528(2) 0.7390(2) 0.0361(7) Uani 1 1 d . . .
H28A H 0.2425 0.8610 0.7650 0.043 Uiso 1 1 calc R . .
C29 C 0.29614(18) 0.7148(3) 0.7320(2) 0.0388(7) Uani 1 1 d . . .
H29A H 0.3153 0.7681 0.7095 0.058 Uiso 1 1 calc R . .
H29B H 0.3240 0.6692 0.7039 0.058 Uiso 1 1 calc R . .
H29C H 0.3005 0.7122 0.8012 0.058 Uiso 1 1 calc R . .
C31 C 0.30555(19) 0.4078(2) 0.3792(2) 0.0345(6) Uani 1 1 d . . .
H31A H 0.3524 0.3777 0.3744 0.041 Uiso 1 1 calc R . .
H31B H 0.2659 0.3669 0.3689 0.041 Uiso 1 1 calc R . .
N32 N 0.30190(15) 0.4708(2) 0.30403(18) 0.0367(6) Uani 1 1 d . . .
C33 C 0.35631(17) 0.5304(2) 0.3012(2) 0.0343(7) Uani 1 1 d . . .
N34 N 0.36751(14) 0.57995(16) 0.37938(19) 0.0316(5) Uani 1 1 d . . .
C35 C 0.42310(18) 0.6338(2) 0.3795(3) 0.0393(7) Uani 1 1 d . . .
H35A H 0.4329 0.6642 0.4358 0.047 Uiso 1 1 calc R . .
C36 C 0.4666(2) 0.6475(3) 0.3027(3) 0.0543(11) Uani 1 1 d . . .
H36A H 0.5056 0.6863 0.3056 0.065 Uiso 1 1 calc R . .
C37 C 0.4521(2) 0.6032(3) 0.2210(3) 0.0600(13) Uani 1 1 d . . .
H37A H 0.4792 0.6141 0.1653 0.072 Uiso 1 1 calc R . .
C38 C 0.3989(2) 0.5438(3) 0.2202(3) 0.0497(10) Uani 1 1 d . . .
H38A H 0.3907 0.5115 0.1648 0.060 Uiso 1 1 calc R . .
C39 C 0.2808(3) 0.4325(3) 0.2132(3) 0.0551(11) Uani 1 1 d . . .
H39A H 0.2724 0.4762 0.1659 0.083 Uiso 1 1 calc R . .
H39B H 0.2360 0.4002 0.2214 0.083 Uiso 1 1 calc R . .
H39C H 0.3199 0.3957 0.1917 0.083 Uiso 1 1 calc R . .
C41 C 0.37660(16) 0.41152(19) 0.5653(2) 0.0291(5) Uani 1 1 d . . .
H41A H 0.3759 0.3500 0.5647 0.035 Uiso 1 1 calc R . .
H41B H 0.4219 0.4301 0.5342 0.035 Uiso 1 1 calc R . .
N42 N 0.37649(16) 0.44053(19) 0.66216(18) 0.0341(5) Uani 1 1 d . . .
C43 C 0.41261(17) 0.5123(2) 0.6853(2) 0.0316(6) Uani 1 1 d . . .
N44 N 0.44251(15) 0.55437(18) 0.61340(19) 0.0338(5) Uani 1 1 d . . .
C45 C 0.4842(2) 0.6205(2) 0.6349(3) 0.0419(8) Uani 1 1 d . . .
H45A H 0.5059 0.6502 0.5843 0.050 Uiso 1 1 calc R . .
C46 C 0.4972(2) 0.6477(3) 0.7255(3) 0.0517(10) Uani 1 1 d . . .
H46A H 0.5290 0.6932 0.7374 0.062 Uiso 1 1 calc R . .
C47 C 0.4627(2) 0.6073(3) 0.7987(3) 0.0524(11) Uani 1 1 d . . .
H47A H 0.4689 0.6264 0.8619 0.063 Uiso 1 1 calc R . .
C48 C 0.4195(2) 0.5393(3) 0.7799(2) 0.0414(8) Uani 1 1 d . . .
H48A H 0.3948 0.5112 0.8295 0.050 Uiso 1 1 calc R . .
C49 C 0.3442(2) 0.3889(3) 0.7343(3) 0.0512(10) Uani 1 1 d . . .
H49A H 0.3798 0.3795 0.7854 0.077 Uiso 1 1 calc R . .
H49B H 0.3299 0.3354 0.7066 0.077 Uiso 1 1 calc R . .
H49C H 0.3012 0.4168 0.7599 0.077 Uiso 1 1 calc R . .
Cl1 Cl 0.40786(5) 0.17834(5) 0.50001(5) 0.04146(18) Uani 1 1 d . . .
O11 O 0.39195(18) 0.20518(19) 0.59375(19) 0.0534(7) Uani 1 1 d . . .
O12 O 0.3920(3) 0.0926(2) 0.4912(3) 0.0909(15) Uani 1 1 d . . .
O13 O 0.3672(2) 0.2260(2) 0.4337(2) 0.0765(12) Uani 1 1 d . . .
O14 O 0.4836(2) 0.1921(3) 0.4843(3) 0.0976(16) Uani 1 1 d . . .
Cl2 Cl 0.0741(5) 0.1256(6) 0.8515(6) 0.0352(19) Uani 0.399(4) 1 d PD A 1
O21 O 0.0509(5) 0.1725(5) 0.9323(5) 0.049(2) Uiso 0.399(4) 1 d PD A 1
O22 O 0.1295(4) 0.0677(5) 0.8792(5) 0.0486(17) Uiso 0.399(4) 1 d PD A 1
O23 O 0.0110(5) 0.0825(6) 0.8148(8) 0.075(3) Uiso 0.399(4) 1 d PD A 1
O24 O 0.1013(7) 0.1779(7) 0.7788(7) 0.094(3) Uiso 0.399(4) 1 d PD A 1
Cl2' Cl 0.0723(6) 0.1312(7) 0.8401(8) 0.053(4) Uani 0.325(9) 1 d PD B 2
O21' O 0.0616(8) 0.2026(7) 0.8975(10) 0.077(6) Uiso 0.325(9) 1 d PD B 2
O22' O 0.0694(8) 0.0554(7) 0.8956(9) 0.087(4) Uiso 0.325(9) 1 d PD B 2
O23' O 0.0160(6) 0.1246(8) 0.7699(8) 0.072(4) Uiso 0.325(9) 1 d PD B 2
O24' O 0.1410(5) 0.1367(8) 0.7980(9) 0.080(4) Uiso 0.325(9) 1 d PD B 2
Cl2" Cl 0.0693(5) 0.1305(7) 0.8449(8) 0.034(3) Uani 0.276(9) 1 d PD C 3
O21" O 0.0568(7) 0.1917(8) 0.9166(10) 0.040(3) Uiso 0.276(9) 1 d PD C 3
O22" O 0.0244(7) 0.0600(7) 0.8647(9) 0.064(4) Uiso 0.276(9) 1 d PD C 3
O23" O 0.0528(9) 0.1633(9) 0.7541(8) 0.081(5) Uiso 0.276(9) 1 d PD C 3
O24" O 0.1443(5) 0.1043(9) 0.8483(10) 0.071(4) Uiso 0.276(9) 1 d PD C 3
O50 O 0.1102(4) 0.0106(3) 0.3970(4) 0.086(3) Uani 0.801(14) 1 d PD D 1
C50 C 0.1221(4) 0.0702(4) 0.4443(5) 0.0556(17) Uani 0.801(14) 1 d PD D 1
C51 C 0.1826(5) 0.1286(6) 0.4250(8) 0.095(3) Uani 0.801(14) 1 d PD D 1
H51A H 0.2106 0.1085 0.3707 0.142 Uiso 0.801(14) 1 calc PR D 1
H51B H 0.2146 0.1321 0.4807 0.142 Uiso 0.801(14) 1 calc PR D 1
H51C H 0.1628 0.1838 0.4106 0.142 Uiso 0.801(14) 1 calc PR D 1
C52 C 0.0775(5) 0.0926(5) 0.5282(6) 0.074(2) Uani 0.801(14) 1 d PD D 1
H52A H 0.0363 0.0542 0.5330 0.111 Uiso 0.801(14) 1 calc PR D 1
H52B H 0.0594 0.1496 0.5211 0.111 Uiso 0.801(14) 1 calc PR D 1
H52C H 0.1076 0.0887 0.5857 0.111 Uiso 0.801(14) 1 calc PR D 1
O50' O 0.1594(14) 0.0223(12) 0.3654(15) 0.073(7) Uiso 0.199(14) 1 d PD D 2
C50' C 0.1513(14) 0.0794(13) 0.4179(16) 0.059(7) Uiso 0.199(14) 1 d PD D 2
C51' C 0.1822(18) 0.1628(14) 0.399(2) 0.067(8) Uiso 0.199(14) 1 d PD D 2
H51D H 0.1681 0.1808 0.3353 0.100 Uiso 0.199(14) 1 calc PR D 2
H51E H 0.2354 0.1603 0.4042 0.100 Uiso 0.199(14) 1 calc PR D 2
H51F H 0.1635 0.2025 0.4457 0.100 Uiso 0.199(14) 1 calc PR D 2
C52' C 0.111(3) 0.072(2) 0.508(2) 0.114(17) Uiso 0.199(14) 1 d PD D 2
H52D H 0.0947 0.0144 0.5164 0.171 Uiso 0.199(14) 1 calc PR D 2
H52E H 0.0680 0.1087 0.5057 0.171 Uiso 0.199(14) 1 calc PR D 2
H52F H 0.1424 0.0883 0.5608 0.171 Uiso 0.199(14) 1 calc PR D 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt 0.02069(5) 0.03005(6) 0.02220(5) -0.00183(4) 0.00090(3) 0.00309(4)
P1 0.0218(3) 0.0337(4) 0.0221(3) -0.0054(3) 0.0012(2) 0.0022(3)
P2 0.0249(3) 0.0284(3) 0.0247(3) -0.0055(3) 0.0035(2) 0.0016(3)
C1 0.0263(13) 0.0373(16) 0.0317(14) -0.0070(12) 0.0040(10) -0.0048(12)
C2 0.0332(16) 0.050(2) 0.0442(19) -0.0121(16) 0.0115(13) -0.0067(15)
C3 0.043(2) 0.055(2) 0.053(2) -0.0068(18) 0.0138(16) -0.0225(18)
C4 0.050(2) 0.041(2) 0.060(2) -0.0088(17) 0.0087(18) -0.0189(17)
C5 0.0436(19) 0.0356(18) 0.053(2) -0.0119(15) 0.0087(15) -0.0121(15)
C6 0.0278(13) 0.0339(15) 0.0350(15) -0.0072(12) 0.0034(11) -0.0077(12)
C11 0.0213(12) 0.0488(19) 0.0327(15) -0.0077(13) -0.0017(10) 0.0049(12)
N12 0.0281(12) 0.0537(17) 0.0241(11) -0.0010(11) -0.0012(9) 0.0133(12)
C13 0.0353(15) 0.0412(16) 0.0182(11) -0.0004(11) 0.0023(10) 0.0132(13)
N14 0.0337(12) 0.0359(13) 0.0172(10) 0.0001(9) 0.0018(8) 0.0101(10)
C15 0.0345(15) 0.0354(15) 0.0261(13) 0.0002(11) 0.0006(11) -0.0006(12)
C16 0.055(2) 0.0413(19) 0.0325(16) -0.0022(13) 0.0028(14) 0.0016(16)
C17 0.078(3) 0.0384(19) 0.0393(19) 0.0033(15) 0.0115(19) 0.016(2)
C18 0.052(2) 0.0453(19) 0.0317(16) 0.0057(14) 0.0070(14) 0.0222(17)
C19 0.0323(16) 0.084(3) 0.0359(17) 0.0065(18) -0.0040(13) 0.0222(19)
C21 0.0334(15) 0.0366(16) 0.0249(13) -0.0062(11) 0.0035(10) 0.0012(12)
N22 0.0278(12) 0.0355(13) 0.0326(13) -0.0080(10) 0.0001(9) -0.0009(10)
C23 0.0290(13) 0.0363(15) 0.0191(11) -0.0037(10) 0.0050(9) -0.0031(11)
N24 0.0296(12) 0.0434(15) 0.0281(12) -0.0079(11) 0.0026(9) -0.0005(11)
C25 0.0321(16) 0.055(2) 0.0364(16) -0.0028(15) 0.0024(12) 0.0064(15)
C26 0.049(2) 0.0406(19) 0.051(2) 0.0023(16) 0.0124(17) 0.0087(16)
C27 0.058(2) 0.0323(17) 0.046(2) -0.0054(14) 0.0131(17) -0.0067(16)
C28 0.0386(17) 0.0375(17) 0.0322(15) -0.0060(12) 0.0042(12) -0.0075(13)
C29 0.0300(15) 0.057(2) 0.0297(15) -0.0041(14) -0.0035(11) 0.0012(14)
C31 0.0335(15) 0.0416(17) 0.0285(14) -0.0091(12) 0.0004(11) 0.0038(13)
N32 0.0341(13) 0.0528(17) 0.0233(11) -0.0074(11) -0.0021(9) 0.0124(12)
C33 0.0284(14) 0.0489(18) 0.0256(13) 0.0051(12) 0.0027(10) 0.0189(13)
N34 0.0295(12) 0.0309(13) 0.0344(13) 0.0063(10) 0.0116(10) 0.0127(10)
C35 0.0308(15) 0.0320(16) 0.055(2) 0.0114(14) 0.0102(14) 0.0074(12)
C36 0.040(2) 0.051(2) 0.072(3) 0.029(2) 0.0241(19) 0.0140(17)
C37 0.052(2) 0.076(3) 0.052(2) 0.036(2) 0.0258(19) 0.026(2)
C38 0.047(2) 0.073(3) 0.0295(16) 0.0146(17) 0.0119(14) 0.027(2)
C39 0.061(3) 0.076(3) 0.0287(16) -0.0202(17) -0.0089(16) 0.021(2)
C41 0.0286(13) 0.0309(14) 0.0278(13) -0.0028(11) 0.0001(10) 0.0046(11)
N42 0.0389(14) 0.0389(14) 0.0246(11) 0.0000(10) -0.0001(10) -0.0006(12)
C43 0.0277(13) 0.0391(16) 0.0280(13) -0.0058(11) -0.0034(10) 0.0090(12)
N44 0.0343(13) 0.0335(13) 0.0338(13) -0.0051(10) 0.0011(10) 0.0022(11)
C45 0.0379(18) 0.0364(17) 0.051(2) -0.0087(15) 0.0012(14) 0.0029(14)
C46 0.0392(19) 0.051(2) 0.065(3) -0.027(2) -0.0043(17) 0.0022(17)
C47 0.0405(19) 0.069(3) 0.047(2) -0.030(2) -0.0093(16) 0.0145(18)
C48 0.0396(17) 0.055(2) 0.0298(15) -0.0109(14) -0.0040(12) 0.0101(16)
C49 0.057(2) 0.063(3) 0.0337(17) 0.0088(17) 0.0059(16) -0.011(2)
Cl1 0.0578(5) 0.0401(4) 0.0265(3) -0.0005(3) 0.0006(3) 0.0128(4)
O11 0.077(2) 0.0491(16) 0.0340(13) 0.0006(11) 0.0164(13) 0.0035(15)
O12 0.169(5) 0.0371(17) 0.066(2) -0.0109(15) -0.025(3) 0.015(2)
O13 0.122(3) 0.0547(19) 0.0519(18) 0.0015(15) -0.041(2) 0.018(2)
O14 0.066(2) 0.137(4) 0.090(3) 0.047(3) 0.037(2) 0.026(3)
Cl2 0.040(4) 0.035(3) 0.031(2) 0.001(2) 0.001(2) -0.002(2)
Cl2' 0.042(6) 0.054(5) 0.064(6) 0.010(4) 0.003(4) 0.010(3)
Cl2" 0.016(3) 0.033(5) 0.053(7) -0.017(4) 0.016(3) -0.005(3)
O50 0.121(6) 0.052(3) 0.086(4) -0.019(2) -0.028(4) 0.017(3)
C50 0.061(4) 0.046(3) 0.060(4) -0.002(2) -0.015(3) 0.019(3)
C51 0.093(6) 0.076(6) 0.116(8) -0.007(5) 0.045(6) 0.001(5)
C52 0.064(5) 0.078(5) 0.081(5) -0.004(4) -0.003(4) -0.006(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
Pt N14 2.119(3) . ?
Pt N34 2.131(2) . ?
Pt P1 2.1879(7) . ?
Pt P2 2.1880(8) . ?
P1 C1 1.809(3) . ?
P1 C11 1.814(3) . ?
P1 C21 1.841(3) . ?
P2 C6 1.807(3) . ?
P2 C31 1.828(3) . ?
P2 C41 1.835(3) . ?
C1 C2 1.398(4) . ?
C1 C6 1.406(4) . ?
C2 C3 1.393(6) . ?
C3 C4 1.374(6) . ?
C4 C5 1.388(5) . ?
C5 C6 1.388(5) . ?
C11 N12 1.464(5) . ?
N12 C13 1.358(5) . ?
N12 C19 1.466(4) . ?
C13 N14 1.377(4) . ?
C13 C18 1.417(5) . ?
N14 C15 1.360(4) . ?
C15 C16 1.354(5) . ?
C16 C17 1.393(6) . ?
C17 C18 1.371(7) . ?
C21 N22 1.444(4) . ?
N22 C23 1.377(4) . ?
N22 C29 1.453(4) . ?
C23 N24 1.339(4) . ?
C23 C28 1.409(4) . ?
N24 C25 1.337(5) . ?
C25 C26 1.380(6) . ?
C26 C27 1.381(6) . ?
C27 C28 1.374(5) . ?
C31 N32 1.469(5) . ?
N32 C33 1.384(5) . ?
N32 C39 1.472(4) . ?
C33 N34 1.375(4) . ?
C33 C38 1.408(4) . ?
N34 C35 1.338(4) . ?
C35 C36 1.368(5) . ?
C36 C37 1.380(7) . ?
C37 C38 1.367(7) . ?
C41 N42 1.445(4) . ?
N42 C43 1.369(4) . ?
N42 C49 1.444(5) . ?
C43 N44 1.341(4) . ?
C43 C48 1.410(4) . ?
N44 C45 1.343(5) . ?
C45 C46 1.370(6) . ?
C46 C47 1.379(7) . ?
C47 C48 1.376(6) . ?
Cl1 O12 1.414(4) . ?
Cl1 O13 1.417(3) . ?
Cl1 O11 1.425(3) . ?
Cl1 O14 1.426(4) . ?
Cl2 O24 1.421(10) . ?
Cl2 O22 1.430(10) . ?
Cl2 O21 1.434(9) . ?
Cl2 O23 1.442(10) . ?
Cl2' O24' 1.402(11) . ?
Cl2' O21' 1.419(10) . ?
Cl2' O23' 1.431(11) . ?
Cl2' O22' 1.450(11) . ?
Cl2" O23" 1.417(12) . ?
Cl2" O22" 1.430(11) . ?
Cl2" O21" 1.431(10) . ?
Cl2" O24" 1.440(10) . ?
O50 C50 1.188(7) . ?
C50 C51 1.480(9) . ?
C50 C52 1.489(9) . ?
O50' C50' 1.190(16) . ?
C50' C51' 1.481(15) . ?
C50' C52' 1.482(15) . ?

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
N14 Pt N34 98.95(10) . . ?
N14 Pt P1 85.58(7) . . ?
N34 Pt P1 167.91(8) . . ?
N14 Pt P2 173.66(7) . . ?
N34 Pt P2 86.84(7) . . ?
P1 Pt P2 88.24(3) . . ?
C1 P1 C11 107.97(16) . . ?
C1 P1 C21 104.67(15) . . ?
C11 P1 C21 110.25(15) . . ?
C1 P1 Pt 108.51(10) . . ?
C11 P1 Pt 102.18(11) . . ?
C21 P1 Pt 122.65(11) . . ?
C6 P2 C31 111.83(15) . . ?
C6 P2 C41 105.50(15) . . ?
C31 P2 C41 105.99(14) . . ?
C6 P2 Pt 108.64(11) . . ?
C31 P2 Pt 108.94(12) . . ?
C41 P2 Pt 115.95(10) . . ?
C2 C1 C6 119.2(3) . . ?
C2 C1 P1 123.5(3) . . ?
C6 C1 P1 117.1(2) . . ?
C3 C2 C1 119.2(3) . . ?
C4 C3 C2 121.2(3) . . ?
C3 C4 C5 120.3(4) . . ?
C6 C5 C4 119.3(4) . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 P2 122.2(3) . . ?
C1 C6 P2 116.9(2) . . ?
N12 C11 P1 116.7(2) . . ?
C13 N12 C11 128.4(3) . . ?
C13 N12 C19 118.4(3) . . ?
C11 N12 C19 110.1(3) . . ?
N12 C13 N14 121.3(3) . . ?
N12 C13 C18 120.8(3) . . ?
N14 C13 C18 117.9(3) . . ?
C15 N14 C13 119.0(3) . . ?
C15 N14 Pt 117.3(2) . . ?
C13 N14 Pt 123.7(2) . . ?
C16 C15 N14 124.7(3) . . ?
C15 C16 C17 116.7(4) . . ?
C18 C17 C16 120.7(4) . . ?
C17 C18 C13 120.5(3) . . ?
N22 C21 P1 114.2(2) . . ?
C23 N22 C21 119.5(3) . . ?
C23 N22 C29 121.9(3) . . ?
C21 N22 C29 117.4(3) . . ?
N24 C23 N22 115.9(3) . . ?
N24 C23 C28 122.3(3) . . ?
N22 C23 C28 121.8(3) . . ?
C25 N24 C23 117.9(3) . . ?
N24 C25 C26 123.7(4) . . ?
C25 C26 C27 117.8(4) . . ?
C28 C27 C26 120.3(3) . . ?
C27 C28 C23 117.9(3) . . ?
N32 C31 P2 113.6(2) . . ?
C33 N32 C31 118.0(3) . . ?
C33 N32 C39 116.7(3) . . ?
C31 N32 C39 110.6(3) . . ?
N34 C33 N32 118.8(3) . . ?
N34 C33 C38 118.9(4) . . ?
N32 C33 C38 122.3(3) . . ?
C35 N34 C33 119.0(3) . . ?
C35 N34 Pt 119.6(2) . . ?
C33 N34 Pt 120.6(2) . . ?
N34 C35 C36 123.5(4) . . ?
C35 C36 C37 118.0(4) . . ?
C38 C37 C36 120.0(4) . . ?
C37 C38 C33 120.1(4) . . ?
N42 C41 P2 111.6(2) . . ?
C43 N42 C49 121.1(3) . . ?
C43 N42 C41 119.6(3) . . ?
C49 N42 C41 119.1(3) . . ?
N44 C43 N42 116.4(3) . . ?
N44 C43 C48 121.9(3) . . ?
N42 C43 C48 121.7(3) . . ?
C43 N44 C45 117.6(3) . . ?
N44 C45 C46 124.0(4) . . ?
C45 C46 C47 118.2(4) . . ?
C48 C47 C46 119.8(4) . . ?
C47 C48 C43 118.3(4) . . ?
O12 Cl1 O13 111.2(2) . . ?
O12 Cl1 O11 109.5(2) . . ?
O13 Cl1 O11 109.8(2) . . ?
O12 Cl1 O14 109.8(3) . . ?
O13 Cl1 O14 108.8(3) . . ?
O11 Cl1 O14 107.7(3) . . ?
O24 Cl2 O22 109.2(8) . . ?
O24 Cl2 O21 111.8(8) . . ?
O22 Cl2 O21 109.8(7) . . ?
O24 Cl2 O23 108.1(8) . . ?
O22 Cl2 O23 110.7(8) . . ?
O21 Cl2 O23 107.2(7) . . ?
O24' Cl2' O21' 108.7(9) . . ?
O24' Cl2' O23' 111.0(9) . . ?
O21' Cl2' O23' 110.7(9) . . ?
O24' Cl2' O22' 108.6(9) . . ?
O21' Cl2' O22' 111.4(9) . . ?
O23' Cl2' O22' 106.3(8) . . ?
O23" Cl2" O22" 110.6(9) . . ?
O23" Cl2" O21" 110.5(9) . . ?
O22" Cl2" O21" 108.1(9) . . ?
O23" Cl2" O24" 109.6(9) . . ?
O22" Cl2" O24" 108.2(9) . . ?
O21" Cl2" O24" 109.7(9) . . ?
O50 C50 C51 122.8(7) . . ?
O50 C50 C52 122.9(7) . . ?
C51 C50 C52 114.3(6) . . ?
O50' C50' C51' 122.5(14) . . ?
O50' C50' C52' 122.6(14) . . ?
C51' C50' C52' 114.9(15) . . ?

_diffrn_measured_fraction_theta_max 0.886
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         1.976
_refine_diff_density_min         -1.024
_refine_diff_density_rms         0.116

#===END