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


data_global
_journal_name_full               'Dalton Trans.'
_journal_coden_cambridge         0222
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       sjamali@sharif.ir
_publ_contact_author_name        S.Jamali
loop_
_publ_author_name
S.Jamali
Z.Mazloomi
H.Abdolahi
D.Milic
K.Reza

data_sj-20101004-1
_database_code_depnum_ccdc_archive 'CCDC 797046'
#TrackingRef '- Complex1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H30 N4 Pt'
_chemical_formula_sum            'C17 H30 N4 Pt'
_chemical_formula_weight         485.54

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

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P n a 21'
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'

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

_cell_length_a                   11.5536(2)
_cell_length_b                   18.5617(3)
_cell_length_c                   8.6213(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1848.88(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    17350
_cell_measurement_theta_min      4.1510
_cell_measurement_theta_max      32.8868

_exptl_crystal_description       needle
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             952
_exptl_absorpt_coefficient_mu    7.592
_exptl_absorpt_correction_T_min  0.46615
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_collimation    '0.80 mm'
_diffrn_detector_area_resol_mean 16.3426
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27179
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         4.16
_diffrn_reflns_theta_max         30.99
_reflns_number_total             5842
_reflns_number_gt                5016
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_cell_refinement       
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_data_reduction        
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^ > 2\s(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^)+(0.0217P)^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_abs_structure_details 
'Flack H D (1983), Acta Cryst. A39, 876-881, 2735 Friedel pairs'
_refine_ls_abs_structure_Flack   0.007(6)
_refine_ls_number_reflns         5842
_refine_ls_number_parameters     207
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0218
_refine_ls_wR_factor_ref         0.0432
_refine_ls_wR_factor_gt          0.0419
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C10 C -0.0012(3) 0.49788(19) 0.4078(4) 0.0193(7) Uani 1 1 d . . .
H101 H -0.0757 0.5082 0.4601 0.023 Uiso 1 1 calc R . .
H102 H -0.0154 0.4950 0.2947 0.023 Uiso 1 1 calc R . .
C12 C 0.2504(2) 0.38057(18) 0.0847(4) 0.0153(6) Uani 1 1 d . . .
H121 H 0.1953 0.3421 0.1094 0.023 Uiso 1 1 calc R . .
H122 H 0.3295 0.3617 0.0912 0.023 Uiso 1 1 calc R . .
H123 H 0.2358 0.3983 -0.0206 0.023 Uiso 1 1 calc R . .
C11 C 0.2921(3) 0.5332(2) 0.0674(4) 0.0219(7) Uani 1 1 d . . .
H111 H 0.2707 0.5834 0.0885 0.033 Uiso 1 1 calc R . .
H112 H 0.2581 0.5180 -0.0314 0.033 Uiso 1 1 calc R . .
H113 H 0.3766 0.5292 0.0617 0.033 Uiso 1 1 calc R . .
C22 C 0.1536(3) 0.40719(18) 0.4180(4) 0.0188(6) Uani 1 1 d . . .
C42 C 0.0838(3) 0.3415(2) 0.6205(4) 0.0254(7) Uani 1 1 d . . .
H42 H 0.0793 0.3061 0.6999 0.030 Uiso 1 1 calc R . .
C52 C 0.0035(3) 0.39027(18) 0.5863(4) 0.0225(7) Uani 1 1 d . . .
H52 H -0.0691 0.3963 0.6363 0.027 Uiso 1 1 calc R . .
C62 C 0.2861(3) 0.3077(2) 0.5224(4) 0.0229(7) Uani 1 1 d . . .
C82 C 0.2790(4) 0.2505(3) 0.3985(5) 0.0434(11) Uani 1 1 d . . .
H823 H 0.2135 0.2185 0.4202 0.065 Uiso 1 1 calc R . .
H821 H 0.3508 0.2224 0.3977 0.065 Uiso 1 1 calc R . .
H822 H 0.2680 0.2734 0.2971 0.065 Uiso 1 1 calc R . .
C72 C 0.3894(3) 0.3574(2) 0.4945(6) 0.0430(11) Uani 1 1 d . . .
H723 H 0.3844 0.3779 0.3900 0.064 Uiso 1 1 calc R . .
H721 H 0.4613 0.3298 0.5045 0.064 Uiso 1 1 calc R . .
H722 H 0.3887 0.3964 0.5712 0.064 Uiso 1 1 calc R . .
C92 C 0.2982(4) 0.2731(2) 0.6813(4) 0.0367(9) Uani 1 1 d . . .
H923 H 0.3025 0.3107 0.7608 0.055 Uiso 1 1 calc R . .
H921 H 0.3690 0.2440 0.6842 0.055 Uiso 1 1 calc R . .
H922 H 0.2311 0.2422 0.7013 0.055 Uiso 1 1 calc R . .
C21 C 0.1949(3) 0.55031(17) 0.3934(4) 0.0159(6) Uani 1 1 d . . .
C41 C 0.1696(3) 0.6432(2) 0.5581(4) 0.0272(8) Uani 1 1 d . . .
H41 H 0.1862 0.6842 0.6201 0.033 Uiso 1 1 calc R . .
C51 C 0.0660(3) 0.61232(19) 0.5428(4) 0.0249(8) Uani 1 1 d . . .
H51 H -0.0043 0.6264 0.5912 0.030 Uiso 1 1 calc R . .
C61 C 0.3778(3) 0.61332(18) 0.4961(4) 0.0203(7) Uani 1 1 d . . .
C71 C 0.4041(3) 0.5737(2) 0.6479(5) 0.0367(9) Uani 1 1 d . . .
H713 H 0.3586 0.5950 0.7322 0.055 Uiso 1 1 calc R . .
H711 H 0.4867 0.5780 0.6717 0.055 Uiso 1 1 calc R . .
H712 H 0.3838 0.5227 0.6369 0.055 Uiso 1 1 calc R . .
C91 C 0.4074(3) 0.6927(2) 0.5156(5) 0.0378(10) Uani 1 1 d . . .
H913 H 0.3749 0.7202 0.4289 0.057 Uiso 1 1 calc R . .
H911 H 0.4917 0.6987 0.5172 0.057 Uiso 1 1 calc R . .
H912 H 0.3747 0.7105 0.6133 0.057 Uiso 1 1 calc R . .
C81 C 0.4468(3) 0.5813(3) 0.3645(5) 0.0379(11) Uani 1 1 d . . .
H813 H 0.4310 0.5296 0.3576 0.057 Uiso 1 1 calc R . .
H811 H 0.5296 0.5889 0.3836 0.057 Uiso 1 1 calc R . .
H812 H 0.4248 0.6047 0.2670 0.057 Uiso 1 1 calc R . .
N12 N 0.0460(2) 0.43051(15) 0.4638(3) 0.0183(6) Uani 1 1 d . . .
N32 N 0.1770(2) 0.35204(15) 0.5172(3) 0.0198(6) Uani 1 1 d . . .
N11 N 0.0830(2) 0.55538(15) 0.4415(3) 0.0164(5) Uani 1 1 d . . .
N31 N 0.2494(2) 0.60552(17) 0.4681(3) 0.0198(6) Uani 1 1 d . . .
Pt1 Pt 0.229970(8) 0.467030(5) 0.24649(2) 0.01661(3) Uani 1 1 d . . .

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
C10 0.0126(15) 0.0204(17) 0.0250(18) -0.0013(14) 0.0009(12) 0.0002(12)
C12 0.0031(14) 0.0223(17) 0.0204(15) -0.0051(12) 0.0009(9) -0.0003(10)
C11 0.0162(17) 0.0287(18) 0.0208(16) 0.0003(14) 0.0017(11) 0.0014(13)
C22 0.0168(15) 0.0160(16) 0.0237(16) -0.0062(13) 0.0009(12) -0.0015(12)
C42 0.0256(18) 0.0254(19) 0.0251(18) 0.0052(15) 0.0054(14) -0.0019(14)
C52 0.0199(16) 0.0223(19) 0.0252(17) -0.0007(14) 0.0071(13) -0.0038(13)
C62 0.0148(17) 0.0238(18) 0.0302(18) -0.0011(14) 0.0006(13) 0.0065(12)
C82 0.054(3) 0.038(2) 0.039(2) -0.014(2) -0.011(2) 0.021(2)
C72 0.020(2) 0.043(3) 0.066(3) 0.014(2) -0.0027(19) 0.0026(17)
C92 0.037(2) 0.046(3) 0.0271(18) 0.0052(17) -0.0001(16) 0.0139(19)
C21 0.0127(13) 0.0170(16) 0.0179(14) -0.0003(11) -0.0014(12) 0.0034(11)
C41 0.0175(17) 0.028(2) 0.036(2) -0.0156(16) 0.0017(14) 0.0027(14)
C51 0.0183(16) 0.028(2) 0.0284(18) -0.0063(15) 0.0040(13) 0.0074(14)
C61 0.0144(15) 0.0242(18) 0.0223(16) -0.0056(14) -0.0029(12) -0.0009(12)
C71 0.028(2) 0.045(3) 0.036(2) 0.0136(19) -0.0041(16) -0.0029(18)
C91 0.0245(19) 0.028(2) 0.061(3) 0.0028(19) -0.0065(19) -0.0048(16)
C81 0.0173(18) 0.060(3) 0.036(2) -0.018(2) 0.0021(15) -0.0053(18)
N12 0.0133(13) 0.0213(15) 0.0201(14) -0.0006(11) 0.0047(10) -0.0008(10)
N32 0.0184(14) 0.0173(14) 0.0236(14) 0.0001(11) 0.0030(11) 0.0009(11)
N11 0.0099(12) 0.0151(13) 0.0241(14) -0.0016(11) 0.0000(10) 0.0007(10)
N31 0.0117(14) 0.0228(15) 0.0249(14) -0.0062(12) 0.0013(9) -0.0003(10)
Pt1 0.01126(4) 0.02121(5) 0.01736(5) -0.00155(14) 0.00189(16) 0.00054(4)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
C10 N12 1.447(4) . ?
C10 N11 1.473(4) . ?
C10 H101 0.9900 . ?
C10 H102 0.9900 . ?
C12 Pt1 2.139(3) . ?
C12 H121 0.9800 . ?
C12 H122 0.9800 . ?
C12 H123 0.9800 . ?
C11 Pt1 2.100(3) . ?
C11 H111 0.9800 . ?
C11 H112 0.9800 . ?
C11 H113 0.9800 . ?
C22 N32 1.361(4) . ?
C22 N12 1.374(4) . ?
C22 Pt1 2.049(3) . ?
C42 C52 1.329(5) . ?
C42 N32 1.412(4) . ?
C42 H42 0.9500 . ?
C52 N12 1.383(4) . ?
C52 H52 0.9500 . ?
C62 N32 1.506(4) . ?
C62 C82 1.509(5) . ?
C62 C92 1.519(5) . ?
C62 C72 1.527(5) . ?
C82 H823 0.9800 . ?
C82 H821 0.9800 . ?
C82 H822 0.9800 . ?
C72 H723 0.9800 . ?
C72 H721 0.9800 . ?
C72 H722 0.9800 . ?
C92 H923 0.9800 . ?
C92 H921 0.9800 . ?
C92 H922 0.9800 . ?
C21 N11 1.362(4) . ?
C21 N31 1.364(4) . ?
C21 Pt1 2.039(3) . ?
C41 C51 1.333(5) . ?
C41 N31 1.393(4) . ?
C41 H41 0.9500 . ?
C51 N11 1.385(4) . ?
C51 H51 0.9500 . ?
C61 C81 1.508(5) . ?
C61 N31 1.510(4) . ?
C61 C91 1.523(5) . ?
C61 C71 1.532(5) . ?
C71 H713 0.9800 . ?
C71 H711 0.9800 . ?
C71 H712 0.9800 . ?
C91 H913 0.9800 . ?
C91 H911 0.9800 . ?
C91 H912 0.9800 . ?
C81 H813 0.9800 . ?
C81 H811 0.9800 . ?
C81 H812 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N12 C10 N11 108.1(3) . . ?
N12 C10 H101 110.1 . . ?
N11 C10 H101 110.1 . . ?
N12 C10 H102 110.1 . . ?
N11 C10 H102 110.1 . . ?
H101 C10 H102 108.4 . . ?
Pt1 C12 H121 109.5 . . ?
Pt1 C12 H122 109.5 . . ?
H121 C12 H122 109.5 . . ?
Pt1 C12 H123 109.5 . . ?
H121 C12 H123 109.5 . . ?
H122 C12 H123 109.5 . . ?
Pt1 C11 H111 109.5 . . ?
Pt1 C11 H112 109.5 . . ?
H111 C11 H112 109.5 . . ?
Pt1 C11 H113 109.5 . . ?
H111 C11 H113 109.5 . . ?
H112 C11 H113 109.5 . . ?
N32 C22 N12 103.7(3) . . ?
N32 C22 Pt1 140.8(2) . . ?
N12 C22 Pt1 115.2(2) . . ?
C52 C42 N32 107.3(3) . . ?
C52 C42 H42 126.3 . . ?
N32 C42 H42 126.3 . . ?
C42 C52 N12 106.9(3) . . ?
C42 C52 H52 126.6 . . ?
N12 C52 H52 126.6 . . ?
N32 C62 C82 108.5(3) . . ?
N32 C62 C92 109.6(3) . . ?
C82 C62 C92 110.2(3) . . ?
N32 C62 C72 108.6(3) . . ?
C82 C62 C72 110.9(3) . . ?
C92 C62 C72 109.0(3) . . ?
C62 C82 H823 109.5 . . ?
C62 C82 H821 109.5 . . ?
H823 C82 H821 109.5 . . ?
C62 C82 H822 109.5 . . ?
H823 C82 H822 109.5 . . ?
H821 C82 H822 109.5 . . ?
C62 C72 H723 109.5 . . ?
C62 C72 H721 109.5 . . ?
H723 C72 H721 109.5 . . ?
C62 C72 H722 109.5 . . ?
H723 C72 H722 109.5 . . ?
H721 C72 H722 109.5 . . ?
C62 C92 H923 109.5 . . ?
C62 C92 H921 109.5 . . ?
H923 C92 H921 109.5 . . ?
C62 C92 H922 109.5 . . ?
H923 C92 H922 109.5 . . ?
H921 C92 H922 109.5 . . ?
N11 C21 N31 104.0(3) . . ?
N11 C21 Pt1 115.5(2) . . ?
N31 C21 Pt1 140.5(2) . . ?
C51 C41 N31 108.8(3) . . ?
C51 C41 H41 125.6 . . ?
N31 C41 H41 125.6 . . ?
C41 C51 N11 105.3(3) . . ?
C41 C51 H51 127.4 . . ?
N11 C51 H51 127.4 . . ?
C81 C61 N31 111.2(3) . . ?
C81 C61 C91 110.2(3) . . ?
N31 C61 C91 109.3(3) . . ?
C81 C61 C71 110.4(3) . . ?
N31 C61 C71 106.6(3) . . ?
C91 C61 C71 109.0(3) . . ?
C61 C71 H713 109.5 . . ?
C61 C71 H711 109.5 . . ?
H713 C71 H711 109.5 . . ?
C61 C71 H712 109.5 . . ?
H713 C71 H712 109.5 . . ?
H711 C71 H712 109.5 . . ?
C61 C91 H913 109.5 . . ?
C61 C91 H911 109.5 . . ?
H913 C91 H911 109.5 . . ?
C61 C91 H912 109.5 . . ?
H913 C91 H912 109.5 . . ?
H911 C91 H912 109.5 . . ?
C61 C81 H813 109.5 . . ?
C61 C81 H811 109.5 . . ?
H813 C81 H811 109.5 . . ?
C61 C81 H812 109.5 . . ?
H813 C81 H812 109.5 . . ?
H811 C81 H812 109.5 . . ?
C22 N12 C52 111.7(3) . . ?
C22 N12 C10 121.2(3) . . ?
C52 N12 C10 126.0(3) . . ?
C22 N32 C42 110.4(3) . . ?
C22 N32 C62 126.6(3) . . ?
C42 N32 C62 122.9(3) . . ?
C21 N11 C51 112.3(3) . . ?
C21 N11 C10 121.1(3) . . ?
C51 N11 C10 125.8(3) . . ?
C21 N31 C41 109.6(3) . . ?
C21 N31 C61 126.9(3) . . ?
C41 N31 C61 120.9(3) . . ?
C21 Pt1 C22 82.95(13) . . ?
C21 Pt1 C11 94.64(14) . . ?
C22 Pt1 C11 174.31(13) . . ?
C21 Pt1 C12 174.62(12) . . ?
C22 Pt1 C12 96.40(12) . . ?
C11 Pt1 C12 85.52(14) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N32 C42 C52 N12 0.0(4) . . . . ?
N31 C41 C51 N11 -0.4(4) . . . . ?
N32 C22 N12 C52 -0.8(3) . . . . ?
Pt1 C22 N12 C52 -176.2(2) . . . . ?
N32 C22 N12 C10 167.6(3) . . . . ?
Pt1 C22 N12 C10 -7.7(4) . . . . ?
C42 C52 N12 C22 0.5(4) . . . . ?
C42 C52 N12 C10 -167.2(3) . . . . ?
N11 C10 N12 C22 -54.4(4) . . . . ?
N11 C10 N12 C52 112.3(3) . . . . ?
N12 C22 N32 C42 0.8(3) . . . . ?
Pt1 C22 N32 C42 174.1(3) . . . . ?
N12 C22 N32 C62 -178.3(3) . . . . ?
Pt1 C22 N32 C62 -5.0(6) . . . . ?
C52 C42 N32 C22 -0.5(4) . . . . ?
C52 C42 N32 C62 178.6(3) . . . . ?
C82 C62 N32 C22 -81.3(4) . . . . ?
C92 C62 N32 C22 158.4(3) . . . . ?
C72 C62 N32 C22 39.4(5) . . . . ?
C82 C62 N32 C42 99.8(4) . . . . ?
C92 C62 N32 C42 -20.6(5) . . . . ?
C72 C62 N32 C42 -139.6(3) . . . . ?
N31 C21 N11 C51 0.5(4) . . . . ?
Pt1 C21 N11 C51 179.0(2) . . . . ?
N31 C21 N11 C10 -169.6(3) . . . . ?
Pt1 C21 N11 C10 8.9(4) . . . . ?
C41 C51 N11 C21 -0.1(4) . . . . ?
C41 C51 N11 C10 169.4(3) . . . . ?
N12 C10 N11 C21 54.1(4) . . . . ?
N12 C10 N11 C51 -114.6(3) . . . . ?
N11 C21 N31 C41 -0.7(4) . . . . ?
Pt1 C21 N31 C41 -178.6(3) . . . . ?
N11 C21 N31 C61 160.8(3) . . . . ?
Pt1 C21 N31 C61 -17.1(6) . . . . ?
C51 C41 N31 C21 0.7(4) . . . . ?
C51 C41 N31 C61 -162.1(3) . . . . ?
C81 C61 N31 C21 33.1(5) . . . . ?
C91 C61 N31 C21 155.1(3) . . . . ?
C71 C61 N31 C21 -87.2(4) . . . . ?
C81 C61 N31 C41 -167.3(3) . . . . ?
C91 C61 N31 C41 -45.4(5) . . . . ?
C71 C61 N31 C41 72.3(4) . . . . ?
N11 C21 Pt1 C22 -53.0(2) . . . . ?
N31 C21 Pt1 C22 124.7(4) . . . . ?
N11 C21 Pt1 C11 121.8(3) . . . . ?
N31 C21 Pt1 C11 -60.5(4) . . . . ?
N11 C21 Pt1 C12 30.3(14) . . . . ?
N31 C21 Pt1 C12 -152.0(12) . . . . ?
N32 C22 Pt1 C21 -120.1(4) . . . . ?
N12 C22 Pt1 C21 52.7(2) . . . . ?
N32 C22 Pt1 C11 174.6(11) . . . . ?
N12 C22 Pt1 C11 -12.6(14) . . . . ?
N32 C22 Pt1 C12 65.2(4) . . . . ?
N12 C22 Pt1 C12 -121.9(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        30.99
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.352
_refine_diff_density_min         -0.734
_refine_diff_density_rms         0.095

# Attachment '- Complex3.cif'

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 797047'
#TrackingRef '- Complex3.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H24 N4 O3 Pt, 3(H2 O)'
_chemical_formula_sum            'C16 H30 N4 O6 Pt'
_chemical_formula_weight         569.53

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   8.8501(2)
_cell_length_b                   17.2896(4)
_cell_length_c                   13.1079(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.015(2)
_cell_angle_gamma                90.00
_cell_volume                     2000.78(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(1)
_cell_measurement_reflns_used    6521
_cell_measurement_theta_min      4.1676
_cell_measurement_theta_max      32.6391

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.891
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1120
_exptl_absorpt_coefficient_mu    7.052
_exptl_absorpt_correction_T_min  0.325
_exptl_absorpt_correction_T_max  0.733
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      120(1)
_diffrn_radiation_wavelength     0.7107
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_detector_area_resol_mean 16.3426
_diffrn_measurement_method       '\w scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13622
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.18
_diffrn_reflns_theta_max         32.70
_reflns_number_total             6565
_reflns_number_gt                4700
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.48 (release 15-09-2009 CrysAlis171 .NET)
(compiled Sep 15 2009,11:49:04)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0283P)^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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6565
_refine_ls_number_parameters     269
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0698
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.003
_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
H11W H 0.353(4) 0.587(2) 0.092(4) 0.041(17) Uiso 1 1 d D . .
C10 C 0.6925(5) 0.8898(3) 0.2833(3) 0.0238(10) Uani 1 1 d . . .
H101 H 0.7152 0.9316 0.3336 0.029 Uiso 1 1 calc R . .
H102 H 0.7557 0.8443 0.3037 0.029 Uiso 1 1 calc R . .
C11 C 0.6513(5) 0.6314(3) 0.0686(3) 0.0270(11) Uani 1 1 d . . .
C21 C 0.4676(4) 0.8221(3) 0.2090(3) 0.0198(9) Uani 1 1 d . . .
C22 C 0.6848(4) 0.8715(3) 0.0986(3) 0.0203(9) Uani 1 1 d . . .
C41 C 0.2957(5) 0.8646(3) 0.3138(3) 0.0257(10) Uani 1 1 d . . .
H41 H 0.2022 0.8716 0.3440 0.031 Uiso 1 1 calc R . .
C42 C 0.7905(5) 0.9836(3) 0.0529(4) 0.0300(11) Uani 1 1 d . . .
H42 H 0.8298 1.0231 0.0119 0.036 Uiso 1 1 calc R . .
C51 C 0.4287(5) 0.8961(3) 0.3467(3) 0.0268(11) Uani 1 1 d . . .
H51 H 0.4479 0.9297 0.4034 0.032 Uiso 1 1 calc R . .
C52 C 0.7908(5) 0.9840(3) 0.1547(4) 0.0261(10) Uani 1 1 d . . .
H52 H 0.8284 1.0237 0.1996 0.031 Uiso 1 1 calc R . .
C61 C 0.1925(5) 0.7735(3) 0.1738(3) 0.0252(10) Uani 1 1 d U . .
C62 C 0.6987(5) 0.8937(3) -0.0944(3) 0.0258(10) Uani 1 1 d . . .
C71 C 0.2246(5) 0.7670(3) 0.0583(3) 0.0308(11) Uani 1 1 d . . .
H711 H 0.1417 0.7387 0.0214 0.046 Uiso 1 1 calc R . .
H712 H 0.3199 0.7392 0.0520 0.046 Uiso 1 1 calc R . .
H713 H 0.2322 0.8189 0.0292 0.046 Uiso 1 1 calc R . .
C72 C 0.5455(5) 0.8549(4) -0.1145(3) 0.0362(13) Uani 1 1 d . . .
H721 H 0.5233 0.8488 -0.1883 0.054 Uiso 1 1 calc R . .
H722 H 0.4670 0.8869 -0.0863 0.054 Uiso 1 1 calc R . .
H723 H 0.5474 0.8039 -0.0817 0.054 Uiso 1 1 calc R . .
C81 C 0.1862(6) 0.6967(3) 0.2245(4) 0.0355(12) Uani 1 1 d . . .
H811 H 0.1004 0.6671 0.1936 0.053 Uiso 1 1 calc R . .
H812 H 0.1737 0.7040 0.2976 0.053 Uiso 1 1 calc R . .
H813 H 0.2805 0.6685 0.2158 0.053 Uiso 1 1 calc R . .
C82 C 0.8267(6) 0.8391(3) -0.1193(4) 0.0376(13) Uani 1 1 d . . .
H821 H 0.8130 0.8235 -0.1912 0.056 Uiso 1 1 calc R . .
H822 H 0.8250 0.7932 -0.0755 0.056 Uiso 1 1 calc R . .
H823 H 0.9241 0.8657 -0.1071 0.056 Uiso 1 1 calc R . .
C91 C 0.0447(5) 0.8174(4) 0.1799(4) 0.0403(14) Uani 1 1 d . . .
H911 H -0.0382 0.7879 0.1451 0.061 Uiso 1 1 calc R . .
H912 H 0.0527 0.8679 0.1467 0.061 Uiso 1 1 calc R . .
H913 H 0.0243 0.8249 0.2518 0.061 Uiso 1 1 calc R . .
C92 C 0.7035(7) 0.9668(4) -0.1586(4) 0.0467(15) Uani 1 1 d . . .
H921 H 0.6772 0.9541 -0.2306 0.070 Uiso 1 1 calc R . .
H922 H 0.8056 0.9890 -0.1516 0.070 Uiso 1 1 calc R . .
H923 H 0.6306 1.0044 -0.1352 0.070 Uiso 1 1 calc R . .
N11 N 0.5322(4) 0.8693(2) 0.2808(3) 0.0215(8) Uani 1 1 d . . .
N12 N 0.7258(4) 0.9154(2) 0.1817(3) 0.0220(8) Uani 1 1 d . . .
N31 N 0.3182(4) 0.8199(2) 0.2279(3) 0.0211(8) Uani 1 1 d . . .
N32 N 0.7230(4) 0.9155(2) 0.0175(3) 0.0238(8) Uani 1 1 d . . .
O1 O 0.5372(4) 0.6521(2) 0.1227(2) 0.0251(7) Uani 1 1 d . . .
O2 O 0.7254(3) 0.6917(2) 0.0348(2) 0.0247(7) Uani 1 1 d . . .
O3 O 0.6844(4) 0.5634(2) 0.0515(3) 0.0350(8) Uani 1 1 d . . .
Pt1 Pt 0.595288(18) 0.768843(11) 0.113797(12) 0.01870(5) Uani 1 1 d . . .
O1W O 0.2821(5) 0.5509(3) 0.0864(3) 0.0490(11) Uani 1 1 d D . .
H12W H 0.308(6) 0.519(3) 0.038(4) 0.074 Uiso 1 1 d D . .
O2W O 0.9884(4) 0.6345(3) -0.0602(3) 0.0565(13) Uani 1 1 d D . .
H21W H 0.908(5) 0.650(3) -0.029(4) 0.085 Uiso 1 1 d D . .
H22W H 1.001(7) 0.5851(13) -0.042(5) 0.085 Uiso 1 1 d D . .
O3W O 0.9882(6) 0.5141(3) 0.1367(4) 0.0768(16) Uani 1 1 d D . .
H31W H 0.901(4) 0.539(4) 0.125(6) 0.115 Uiso 1 1 d D . .
H32W H 1.057(6) 0.541(4) 0.105(6) 0.115 Uiso 1 1 d D . .

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
C10 0.017(2) 0.027(3) 0.027(2) -0.005(2) 0.0002(17) -0.0002(18)
C11 0.030(3) 0.027(3) 0.023(2) 0.000(2) -0.0011(19) 0.003(2)
C21 0.017(2) 0.021(3) 0.022(2) -0.0003(18) 0.0008(15) 0.0010(17)
C22 0.0137(19) 0.021(3) 0.026(2) -0.0049(19) 0.0045(16) 0.0045(17)
C41 0.022(2) 0.032(3) 0.025(2) -0.003(2) 0.0078(18) -0.001(2)
C42 0.029(3) 0.022(3) 0.038(3) 0.001(2) 0.003(2) -0.003(2)
C51 0.028(2) 0.028(3) 0.025(2) -0.003(2) 0.0073(18) 0.004(2)
C52 0.023(2) 0.019(3) 0.036(3) -0.006(2) 0.0017(19) -0.0039(19)
C61 0.0152(19) 0.035(3) 0.026(2) -0.009(2) 0.0052(16) 0.011(2)
C62 0.027(2) 0.031(3) 0.020(2) 0.0015(19) 0.0037(18) 0.003(2)
C71 0.027(2) 0.039(3) 0.026(2) -0.003(2) -0.0003(18) -0.002(2)
C72 0.033(3) 0.055(4) 0.021(2) -0.001(2) 0.0028(19) -0.001(3)
C81 0.029(3) 0.036(3) 0.042(3) -0.007(3) 0.008(2) -0.008(2)
C82 0.034(3) 0.048(4) 0.032(3) -0.005(2) 0.011(2) 0.007(3)
C91 0.020(2) 0.046(4) 0.053(3) -0.011(3) -0.002(2) 0.007(2)
C92 0.071(4) 0.039(4) 0.031(3) 0.008(3) 0.008(3) -0.005(3)
N11 0.0182(18) 0.024(2) 0.0220(18) -0.0033(16) 0.0027(14) 0.0020(15)
N12 0.0197(18) 0.023(2) 0.0233(19) -0.0061(16) 0.0005(14) -0.0004(16)
N31 0.0193(18) 0.024(2) 0.0202(17) -0.0004(15) 0.0038(13) 0.0019(15)
N32 0.0224(19) 0.021(2) 0.028(2) 0.0018(16) 0.0029(15) -0.0012(16)
O1 0.0318(17) 0.023(2) 0.0217(16) -0.0028(13) 0.0085(12) 0.0039(14)
O2 0.0280(17) 0.0193(19) 0.0278(16) -0.0012(14) 0.0090(13) 0.0036(14)
O3 0.050(2) 0.019(2) 0.0372(19) -0.0021(16) 0.0116(16) 0.0085(16)
Pt1 0.01702(8) 0.02024(9) 0.01906(8) -0.00138(8) 0.00290(5) 0.00110(8)
O1W 0.062(3) 0.035(3) 0.054(3) -0.015(2) 0.032(2) -0.014(2)
O2W 0.027(2) 0.084(4) 0.060(3) -0.029(3) 0.0128(18) -0.001(2)
O3W 0.060(3) 0.070(4) 0.097(4) 0.015(3) -0.019(3) -0.005(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
C10 N12 1.452(5) . ?
C10 N11 1.460(5) . ?
C10 H101 0.9900 . ?
C10 H102 0.9900 . ?
C11 O3 1.236(6) . ?
C11 O1 1.324(5) . ?
C11 O2 1.324(6) . ?
C11 Pt1 2.507(5) . ?
C21 N11 1.344(5) . ?
C21 N31 1.363(5) . ?
C21 Pt1 1.969(4) . ?
C22 N12 1.356(5) . ?
C22 N32 1.369(6) . ?
C22 Pt1 1.959(5) . ?
C41 C51 1.340(6) . ?
C41 N31 1.392(5) . ?
C41 H41 0.9500 . ?
C42 C52 1.335(6) . ?
C42 N32 1.386(6) . ?
C42 H42 0.9500 . ?
C51 N11 1.382(5) . ?
C51 H51 0.9500 . ?
C52 N12 1.375(6) . ?
C52 H52 0.9500 . ?
C61 C81 1.487(7) . ?
C61 N31 1.508(6) . ?
C61 C91 1.520(6) . ?
C61 C71 1.563(6) . ?
C62 N32 1.515(6) . ?
C62 C72 1.519(7) . ?
C62 C92 1.521(7) . ?
C62 C82 1.527(7) . ?
C71 H711 0.9800 . ?
C71 H712 0.9800 . ?
C71 H713 0.9800 . ?
C72 H721 0.9800 . ?
C72 H722 0.9800 . ?
C72 H723 0.9800 . ?
C81 H811 0.9800 . ?
C81 H812 0.9800 . ?
C81 H813 0.9800 . ?
C82 H821 0.9800 . ?
C82 H822 0.9800 . ?
C82 H823 0.9800 . ?
C91 H911 0.9800 . ?
C91 H912 0.9800 . ?
C91 H913 0.9800 . ?
C92 H921 0.9800 . ?
C92 H922 0.9800 . ?
C92 H923 0.9800 . ?
O1 Pt1 2.088(3) . ?
O2 Pt1 2.084(3) . ?
O1W H11W 0.88(4) . ?
O1W H12W 0.88(5) . ?
O2W H21W 0.89(5) . ?
O2W H22W 0.89(3) . ?
O3W H31W 0.89(5) . ?
O3W H32W 0.89(6) . ?

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
N12 C10 N11 108.2(3) . . ?
N12 C10 H101 110.1 . . ?
N11 C10 H101 110.1 . . ?
N12 C10 H102 110.1 . . ?
N11 C10 H102 110.1 . . ?
H101 C10 H102 108.4 . . ?
O3 C11 O1 123.7(5) . . ?
O3 C11 O2 124.0(4) . . ?
O1 C11 O2 112.3(4) . . ?
O3 C11 Pt1 176.2(4) . . ?
O1 C11 Pt1 56.3(2) . . ?
O2 C11 Pt1 56.2(2) . . ?
N11 C21 N31 105.1(4) . . ?
N11 C21 Pt1 119.5(3) . . ?
N31 C21 Pt1 135.2(3) . . ?
N12 C22 N32 104.3(4) . . ?
N12 C22 Pt1 120.8(3) . . ?
N32 C22 Pt1 134.9(3) . . ?
C51 C41 N31 108.3(4) . . ?
C51 C41 H41 125.9 . . ?
N31 C41 H41 125.9 . . ?
C52 C42 N32 108.0(4) . . ?
C52 C42 H42 126.0 . . ?
N32 C42 H42 126.0 . . ?
C41 C51 N11 105.6(4) . . ?
C41 C51 H51 127.2 . . ?
N11 C51 H51 127.2 . . ?
C42 C52 N12 106.4(4) . . ?
C42 C52 H52 126.8 . . ?
N12 C52 H52 126.8 . . ?
C81 C61 N31 108.3(4) . . ?
C81 C61 C91 111.3(4) . . ?
N31 C61 C91 108.6(4) . . ?
C81 C61 C71 112.6(4) . . ?
N31 C61 C71 108.4(4) . . ?
C91 C61 C71 107.6(4) . . ?
N32 C62 C72 110.0(3) . . ?
N32 C62 C92 108.8(4) . . ?
C72 C62 C92 109.3(4) . . ?
N32 C62 C82 107.7(4) . . ?
C72 C62 C82 110.9(4) . . ?
C92 C62 C82 110.2(4) . . ?
C61 C71 H711 109.5 . . ?
C61 C71 H712 109.5 . . ?
H711 C71 H712 109.5 . . ?
C61 C71 H713 109.5 . . ?
H711 C71 H713 109.5 . . ?
H712 C71 H713 109.5 . . ?
C62 C72 H721 109.5 . . ?
C62 C72 H722 109.5 . . ?
H721 C72 H722 109.5 . . ?
C62 C72 H723 109.5 . . ?
H721 C72 H723 109.5 . . ?
H722 C72 H723 109.5 . . ?
C61 C81 H811 109.5 . . ?
C61 C81 H812 109.5 . . ?
H811 C81 H812 109.5 . . ?
C61 C81 H813 109.5 . . ?
H811 C81 H813 109.5 . . ?
H812 C81 H813 109.5 . . ?
C62 C82 H821 109.5 . . ?
C62 C82 H822 109.5 . . ?
H821 C82 H822 109.5 . . ?
C62 C82 H823 109.5 . . ?
H821 C82 H823 109.5 . . ?
H822 C82 H823 109.5 . . ?
C61 C91 H911 109.5 . . ?
C61 C91 H912 109.5 . . ?
H911 C91 H912 109.5 . . ?
C61 C91 H913 109.5 . . ?
H911 C91 H913 109.5 . . ?
H912 C91 H913 109.5 . . ?
C62 C92 H921 109.5 . . ?
C62 C92 H922 109.5 . . ?
H921 C92 H922 109.5 . . ?
C62 C92 H923 109.5 . . ?
H921 C92 H923 109.5 . . ?
H922 C92 H923 109.5 . . ?
C21 N11 C51 111.9(4) . . ?
C21 N11 C10 121.9(3) . . ?
C51 N11 C10 126.2(4) . . ?
C22 N12 C52 111.7(4) . . ?
C22 N12 C10 120.4(4) . . ?
C52 N12 C10 127.9(4) . . ?
C21 N31 C41 109.1(4) . . ?
C21 N31 C61 128.5(4) . . ?
C41 N31 C61 122.3(3) . . ?
C22 N32 C42 109.7(4) . . ?
C22 N32 C62 126.0(4) . . ?
C42 N32 C62 124.3(4) . . ?
C11 O1 Pt1 91.8(3) . . ?
C11 O2 Pt1 92.0(3) . . ?
C22 Pt1 C21 83.98(17) . . ?
C22 Pt1 O2 106.75(15) . . ?
C21 Pt1 O2 167.21(16) . . ?
C22 Pt1 O1 169.79(14) . . ?
C21 Pt1 O1 105.16(15) . . ?
O2 Pt1 O1 63.63(12) . . ?
C22 Pt1 C11 138.31(17) . . ?
C21 Pt1 C11 136.40(17) . . ?
O2 Pt1 C11 31.85(14) . . ?
O1 Pt1 C11 31.85(13) . . ?
H11W O1W H12W 106(4) . . ?
H21W O2W H22W 105(5) . . ?
H31W O3W H32W 106(6) . . ?

_diffrn_measured_fraction_theta_max 0.892
_diffrn_reflns_theta_full        30.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.316
_refine_diff_density_min         -1.507
_refine_diff_density_rms         0.167


# Attachment '- Complex2.cif'

data_sj-20101004-5-150k-2
_database_code_depnum_ccdc_archive 'CCDC 818324'
#TrackingRef '- Complex2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H76 Ag2 Br2 N8 Pt4 S2, 3(C3 H6 O)'
_chemical_formula_sum            'C47 H94 Ag2 Br2 N8 O3 Pt4 S2'
_chemical_formula_weight         2039.34

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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

_cell_length_a                   9.8360(3)
_cell_length_b                   12.2936(4)
_cell_length_c                   13.7271(4)
_cell_angle_alpha                74.311(3)
_cell_angle_beta                 85.741(2)
_cell_angle_gamma                79.721(3)
_cell_volume                     1571.80(8)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    6413
_cell_measurement_theta_min      4.2007
_cell_measurement_theta_max      29.0056

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.154
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             964
_exptl_absorpt_coefficient_mu    10.856
_exptl_absorpt_correction_T_min  0.38402
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_detector_area_resol_mean 16.3426
_diffrn_measurement_method       '\w scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12100
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0670
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         4.21
_diffrn_reflns_theta_max         29.07
_reflns_number_total             7113
_reflns_number_gt                5217
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^ > 2\s(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^)+(0.0178P)^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         7113
_refine_ls_number_parameters     339
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0507
_refine_ls_wR_factor_gt          0.0486
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_restrained_S_all      0.867
_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
C10 C 0.4065(5) 0.5482(4) 0.1456(4) 0.0198(11) Uani 1 1 d . . .
H10A H 0.3130 0.5418 0.1279 0.024 Uiso 1 1 calc R . .
H10B H 0.4723 0.5293 0.0921 0.024 Uiso 1 1 calc R . .
C11 C 0.0690(5) 0.8296(5) 0.0227(4) 0.0352(14) Uani 1 1 d . . .
H11A H 0.1533 0.8628 0.0008 0.053 Uiso 1 1 calc R . .
H11B H -0.0104 0.8912 0.0189 0.053 Uiso 1 1 calc R . .
H11C H 0.0550 0.7822 -0.0216 0.053 Uiso 1 1 calc R . .
C12 C -0.1272(5) 0.7411(5) 0.1715(4) 0.0297(13) Uani 1 1 d . . .
H12A H -0.1711 0.8046 0.1995 0.044 Uiso 1 1 calc R . .
H12B H -0.1531 0.6693 0.2136 0.044 Uiso 1 1 calc R . .
H12C H -0.1581 0.7546 0.1024 0.044 Uiso 1 1 calc R . .
C13 C 0.1730(5) 0.2756(4) 0.2605(4) 0.0315(14) Uani 1 1 d . . .
H13A H 0.1957 0.2926 0.1878 0.047 Uiso 1 1 calc R . .
H13B H 0.0889 0.2409 0.2743 0.047 Uiso 1 1 calc R . .
H13C H 0.2496 0.2222 0.2979 0.047 Uiso 1 1 calc R . .
C14 C -0.0686(4) 0.4091(4) 0.3152(4) 0.0242(12) Uani 1 1 d . . .
H14A H -0.0926 0.3887 0.2551 0.036 Uiso 1 1 calc R . .
H14B H -0.1251 0.4821 0.3190 0.036 Uiso 1 1 calc R . .
H14C H -0.0862 0.3491 0.3759 0.036 Uiso 1 1 calc R . .
C15 C -0.0479(5) 0.6432(5) 0.4089(4) 0.0267(13) Uani 1 1 d . . .
H15A H -0.0326 0.5995 0.4794 0.040 Uiso 1 1 calc R . .
H15B H -0.1299 0.6244 0.3848 0.040 Uiso 1 1 calc R . .
H15C H -0.0620 0.7254 0.4044 0.040 Uiso 1 1 calc R . .
C16 C 0.2319(5) 0.6285(5) 0.4051(4) 0.0286(13) Uani 1 1 d . . .
H16A H 0.2169 0.7088 0.4074 0.043 Uiso 1 1 calc R . .
H16B H 0.3231 0.6095 0.3742 0.043 Uiso 1 1 calc R . .
H16C H 0.2274 0.5789 0.4741 0.043 Uiso 1 1 calc R . .
C21 C 0.2934(5) 0.7429(4) 0.1591(3) 0.0165(11) Uani 1 1 d . . .
C22 C 0.3521(5) 0.4132(4) 0.3102(4) 0.0184(11) Uani 1 1 d . . .
C41 C 0.4893(5) 0.8187(5) 0.1488(4) 0.0284(13) Uani 1 1 d . . .
H41 H 0.5486 0.8723 0.1470 0.034 Uiso 1 1 calc R . .
C42 C 0.5704(5) 0.3568(5) 0.3642(4) 0.0285(13) Uani 1 1 d . . .
H42 H 0.6463 0.3173 0.4056 0.034 Uiso 1 1 calc R . .
C51 C 0.5279(5) 0.7113(5) 0.1422(4) 0.0275(13) Uani 1 1 d . . .
H51 H 0.6198 0.6737 0.1348 0.033 Uiso 1 1 calc R . .
C52 C 0.5771(5) 0.4323(5) 0.2751(4) 0.0278(13) Uani 1 1 d . . .
H52 H 0.6578 0.4578 0.2411 0.033 Uiso 1 1 calc R . .
C61 C 0.2642(6) 0.9464(5) 0.1681(4) 0.0299(13) Uani 1 1 d . . .
H61 H 0.1645 0.9412 0.1643 0.036 Uiso 1 1 calc R . .
C62 C 0.3810(5) 0.2677(4) 0.4783(4) 0.0244(12) Uani 1 1 d . . .
H62 H 0.2782 0.2776 0.4752 0.029 Uiso 1 1 calc R . .
C71 C 0.2859(7) 0.9657(5) 0.2695(5) 0.0557(19) Uani 1 1 d . . .
H71A H 0.2701 0.8981 0.3235 0.084 Uiso 1 1 calc R . .
H71B H 0.2208 1.0327 0.2787 0.084 Uiso 1 1 calc R . .
H71C H 0.3808 0.9789 0.2721 0.084 Uiso 1 1 calc R . .
C72 C 0.4157(6) 0.2995(5) 0.5723(4) 0.0365(15) Uani 1 1 d . . .
H72A H 0.5163 0.2897 0.5770 0.055 Uiso 1 1 calc R . .
H72B H 0.3778 0.2498 0.6326 0.055 Uiso 1 1 calc R . .
H72C H 0.3754 0.3796 0.5677 0.055 Uiso 1 1 calc R . .
C81 C 0.2984(6) 1.0451(5) 0.0813(5) 0.0432(16) Uani 1 1 d . . .
H81A H 0.3941 1.0551 0.0863 0.065 Uiso 1 1 calc R . .
H81B H 0.2358 1.1156 0.0849 0.065 Uiso 1 1 calc R . .
H81C H 0.2875 1.0283 0.0167 0.065 Uiso 1 1 calc R . .
C82 C 0.4403(6) 0.1434(5) 0.4821(5) 0.0453(17) Uani 1 1 d . . .
H82A H 0.4232 0.1278 0.4181 0.068 Uiso 1 1 calc R . .
H82B H 0.3958 0.0927 0.5381 0.068 Uiso 1 1 calc R . .
H82C H 0.5401 0.1299 0.4924 0.068 Uiso 1 1 calc R . .
Pt1 Pt 0.088429(19) 0.729923(17) 0.169530(15) 0.01961(6) Uani 1 1 d . . .
Pt2 Pt 0.141073(19) 0.424630(17) 0.305703(15) 0.01808(6) Uani 1 1 d . . .
N11 N 0.4082(4) 0.6652(4) 0.1482(3) 0.0201(10) Uani 1 1 d . . .
N12 N 0.4432(4) 0.4665(4) 0.2416(3) 0.0206(10) Uani 1 1 d . . .
N31 N 0.3472(4) 0.8373(4) 0.1589(3) 0.0230(10) Uani 1 1 d . . .
N32 N 0.4325(4) 0.3456(3) 0.3862(3) 0.0209(10) Uani 1 1 d . . .
Ag1 Ag 0.03244(4) 0.54129(4) 0.10832(3) 0.02560(10) Uani 1 1 d . . .
Br1 Br -0.20401(6) 0.50827(6) 0.03998(5) 0.04041(17) Uani 1 1 d . . .
S1 S 0.10102(12) 0.60708(11) 0.33149(10) 0.0192(3) Uani 1 1 d . . .
C1 C 0.7985(8) 0.1349(9) 0.2362(6) 0.108(3) Uani 1 1 d DU . .
H1A H 0.7794 0.1498 0.3030 0.163 Uiso 1 1 calc R . .
H1B H 0.8362 0.1991 0.1902 0.163 Uiso 1 1 calc R . .
H1C H 0.8657 0.0644 0.2425 0.163 Uiso 1 1 calc R . .
C2 C 0.6699(7) 0.1221(8) 0.1959(5) 0.082(3) Uani 1 1 d DU . .
C3 C 0.5848(8) 0.2223(7) 0.1303(6) 0.078(2) Uani 1 1 d DU . .
H3A H 0.5587 0.2020 0.0707 0.118 Uiso 1 1 calc R . .
H3B H 0.6379 0.2854 0.1085 0.118 Uiso 1 1 calc R . .
H3C H 0.5012 0.2461 0.1679 0.118 Uiso 1 1 calc R . .
O1 O 0.6369(8) 0.0295(7) 0.2176(7) 0.190(4) Uani 1 1 d DU . .
C4 C -0.079(2) 0.923(2) 0.4961(18) 0.107(10) Uani 0.50 1 d PDU A -1
H4A H -0.0976 0.9390 0.4240 0.161 Uiso 0.50 1 calc PR A -1
H4B H -0.1458 0.9739 0.5269 0.161 Uiso 0.50 1 calc PR A -1
H4C H -0.0872 0.8430 0.5297 0.161 Uiso 0.50 1 calc PR A -1
C5 C 0.0639(15) 0.9421(13) 0.5077(10) 0.062(4) Uani 0.50 1 d PDU A -1
C6 C 0.060(3) 1.0610(18) 0.516(2) 0.132(13) Uani 0.50 1 d PDU A -1
H6A H 0.0646 1.0598 0.5876 0.198 Uiso 0.50 1 calc PR A -1
H6B H -0.0267 1.1088 0.4886 0.198 Uiso 0.50 1 calc PR A -1
H6C H 0.1384 1.0926 0.4781 0.198 Uiso 0.50 1 calc PR A -1
O2 O 0.1630(12) 0.8735(10) 0.5097(8) 0.090(4) Uani 0.50 1 d PDU A -1

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
C10 0.017(3) 0.022(3) 0.021(3) -0.009(2) 0.002(2) -0.002(2)
C11 0.023(3) 0.042(4) 0.035(4) 0.002(3) -0.003(3) -0.006(3)
C12 0.020(3) 0.029(3) 0.040(4) -0.010(3) -0.007(2) 0.000(2)
C13 0.032(3) 0.021(3) 0.046(4) -0.018(3) -0.005(3) -0.001(2)
C14 0.014(3) 0.027(3) 0.032(3) -0.006(3) -0.002(2) -0.006(2)
C15 0.020(3) 0.029(3) 0.030(3) -0.010(3) 0.006(2) -0.001(2)
C16 0.023(3) 0.027(3) 0.039(4) -0.014(3) -0.002(2) -0.001(2)
C21 0.019(3) 0.017(3) 0.010(3) 0.000(2) -0.002(2) 0.001(2)
C22 0.019(3) 0.013(3) 0.024(3) -0.010(2) 0.003(2) 0.000(2)
C41 0.015(3) 0.033(4) 0.040(4) -0.009(3) -0.001(2) -0.013(2)
C42 0.015(3) 0.032(3) 0.037(4) -0.008(3) -0.009(2) 0.004(2)
C51 0.009(2) 0.038(4) 0.034(4) -0.005(3) -0.001(2) -0.007(2)
C52 0.018(3) 0.029(3) 0.036(4) -0.007(3) -0.011(2) -0.002(2)
C61 0.030(3) 0.018(3) 0.042(4) -0.007(3) -0.001(3) -0.007(2)
C62 0.019(3) 0.027(3) 0.024(3) -0.001(2) -0.005(2) -0.005(2)
C71 0.092(6) 0.027(4) 0.048(5) -0.015(3) 0.011(4) -0.003(4)
C72 0.029(3) 0.048(4) 0.030(4) -0.005(3) -0.009(3) -0.006(3)
C81 0.039(4) 0.034(4) 0.049(4) 0.001(3) -0.006(3) -0.004(3)
C82 0.052(4) 0.029(4) 0.052(4) -0.004(3) -0.010(3) -0.006(3)
Pt1 0.01406(10) 0.02022(12) 0.02458(12) -0.00588(9) -0.00137(8) -0.00251(8)
Pt2 0.01368(10) 0.01963(12) 0.02233(12) -0.00724(9) -0.00192(8) -0.00311(8)
N11 0.014(2) 0.024(3) 0.024(3) -0.006(2) -0.0019(18) -0.0059(18)
N12 0.018(2) 0.022(3) 0.024(3) -0.010(2) -0.0008(18) -0.0024(18)
N31 0.021(2) 0.021(3) 0.028(3) -0.006(2) 0.0036(19) -0.0073(19)
N32 0.014(2) 0.024(3) 0.023(3) -0.004(2) -0.0039(18) 0.0010(18)
Ag1 0.0219(2) 0.0338(3) 0.0249(2) -0.01285(19) -0.00168(17) -0.00609(18)
Br1 0.0244(3) 0.0706(5) 0.0363(4) -0.0293(3) 0.0029(3) -0.0121(3)
S1 0.0142(6) 0.0227(7) 0.0222(7) -0.0086(6) 0.0006(5) -0.0034(5)
C1 0.105(7) 0.168(11) 0.066(6) -0.051(7) -0.007(5) -0.026(6)
C2 0.075(6) 0.090(7) 0.099(7) -0.041(5) 0.024(5) -0.048(5)
C3 0.103(7) 0.079(6) 0.072(6) -0.040(5) 0.013(4) -0.041(5)
O1 0.116(6) 0.082(5) 0.355(14) -0.018(7) -0.017(7) -0.030(5)
C4 0.089(10) 0.15(2) 0.12(2) -0.08(2) 0.032(16) -0.057(13)
C5 0.063(8) 0.073(10) 0.040(9) 0.001(8) 0.007(8) -0.010(7)
C6 0.13(2) 0.076(14) 0.20(4) -0.03(2) -0.03(2) -0.029(13)
O2 0.094(8) 0.093(10) 0.070(8) -0.021(7) 0.022(7) 0.008(7)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
C10 N12 1.451(6) . ?
C10 N11 1.451(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 Pt1 2.059(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 Pt1 2.099(5) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 Pt2 2.054(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Pt2 2.096(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 S1 1.806(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 S1 1.791(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 N31 1.359(6) . ?
C21 N11 1.370(6) . ?
C21 Pt1 2.042(5) . ?
C22 N32 1.350(6) . ?
C22 N12 1.367(6) . ?
C22 Pt2 2.060(5) . ?
C41 C51 1.333(7) . ?
C41 N31 1.378(6) . ?
C41 H41 0.9500 . ?
C42 C52 1.326(7) . ?
C42 N32 1.390(6) . ?
C42 H42 0.9500 . ?
C51 N11 1.383(6) . ?
C51 H51 0.9500 . ?
C52 N12 1.382(6) . ?
C52 H52 0.9500 . ?
C61 N31 1.471(6) . ?
C61 C71 1.511(8) . ?
C61 C81 1.520(7) . ?
C61 H61 1.0000 . ?
C62 N32 1.482(6) . ?
C62 C82 1.523(7) . ?
C62 C72 1.523(7) . ?
C62 H62 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
Pt1 S1 2.3231(13) . ?
Pt1 Ag1 2.8222(4) . ?
Pt2 S1 2.3248(13) . ?
Pt2 Ag1 2.8847(5) . ?
Ag1 Br1 2.6753(7) 2_565 ?
Ag1 Br1 2.7057(6) . ?
Br1 Ag1 2.6753(7) 2_565 ?
C1 C2 1.467(8) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 O1 1.194(9) . ?
C2 C3 1.474(9) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C5 1.492(14) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 O2 1.167(12) . ?
C5 C6 1.491(14) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N12 C10 N11 112.2(4) . . ?
N12 C10 H10A 109.2 . . ?
N11 C10 H10A 109.2 . . ?
N12 C10 H10B 109.2 . . ?
N11 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
Pt1 C11 H11A 109.5 . . ?
Pt1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Pt1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Pt1 C12 H12A 109.5 . . ?
Pt1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Pt1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Pt2 C13 H13A 109.5 . . ?
Pt2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Pt2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Pt2 C14 H14A 109.5 . . ?
Pt2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Pt2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
S1 C15 H15A 109.5 . . ?
S1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
S1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
S1 C16 H16A 109.5 . . ?
S1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
S1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N31 C21 N11 103.0(4) . . ?
N31 C21 Pt1 126.1(3) . . ?
N11 C21 Pt1 130.9(3) . . ?
N32 C22 N12 104.0(4) . . ?
N32 C22 Pt2 125.3(4) . . ?
N12 C22 Pt2 130.7(4) . . ?
C51 C41 N31 107.2(4) . . ?
C51 C41 H41 126.4 . . ?
N31 C41 H41 126.4 . . ?
C52 C42 N32 107.9(5) . . ?
C52 C42 H42 126.0 . . ?
N32 C42 H42 126.0 . . ?
C41 C51 N11 106.6(4) . . ?
C41 C51 H51 126.7 . . ?
N11 C51 H51 126.7 . . ?
C42 C52 N12 106.3(5) . . ?
C42 C52 H52 126.8 . . ?
N12 C52 H52 126.8 . . ?
N31 C61 C71 110.2(5) . . ?
N31 C61 C81 110.7(5) . . ?
C71 C61 C81 111.5(5) . . ?
N31 C61 H61 108.1 . . ?
C71 C61 H61 108.1 . . ?
C81 C61 H61 108.1 . . ?
N32 C62 C82 110.5(4) . . ?
N32 C62 C72 110.0(4) . . ?
C82 C62 C72 111.6(5) . . ?
N32 C62 H62 108.2 . . ?
C82 C62 H62 108.2 . . ?
C72 C62 H62 108.2 . . ?
C61 C71 H71A 109.5 . . ?
C61 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C61 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C62 C72 H72A 109.5 . . ?
C62 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C62 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C61 C81 H81A 109.5 . . ?
C61 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C61 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C62 C82 H82A 109.5 . . ?
C62 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C62 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C21 Pt1 C11 88.61(19) . . ?
C21 Pt1 C12 172.1(2) . . ?
C11 Pt1 C12 86.0(2) . . ?
C21 Pt1 S1 94.41(13) . . ?
C11 Pt1 S1 175.34(16) . . ?
C12 Pt1 S1 91.33(16) . . ?
C21 Pt1 Ag1 113.25(13) . . ?
C11 Pt1 Ag1 90.04(16) . . ?
C12 Pt1 Ag1 72.59(14) . . ?
S1 Pt1 Ag1 85.51(3) . . ?
C13 Pt2 C22 88.87(19) . . ?
C13 Pt2 C14 85.3(2) . . ?
C22 Pt2 C14 170.8(2) . . ?
C13 Pt2 S1 171.49(17) . . ?
C22 Pt2 S1 92.33(13) . . ?
C14 Pt2 S1 94.47(14) . . ?
C13 Pt2 Ag1 87.73(16) . . ?
C22 Pt2 Ag1 113.05(14) . . ?
C14 Pt2 Ag1 73.86(15) . . ?
S1 Pt2 Ag1 84.05(3) . . ?
C21 N11 C51 111.5(4) . . ?
C21 N11 C10 124.9(4) . . ?
C51 N11 C10 123.6(4) . . ?
C22 N12 C52 111.3(4) . . ?
C22 N12 C10 125.2(4) . . ?
C52 N12 C10 123.5(4) . . ?
C21 N31 C41 111.7(4) . . ?
C21 N31 C61 124.2(4) . . ?
C41 N31 C61 124.1(4) . . ?
C22 N32 C42 110.5(4) . . ?
C22 N32 C62 124.6(4) . . ?
C42 N32 C62 125.0(4) . . ?
Br1 Ag1 Br1 98.140(19) 2_565 . ?
Br1 Ag1 Pt1 112.988(19) 2_565 . ?
Br1 Ag1 Pt1 129.69(2) . . ?
Br1 Ag1 Pt2 111.80(2) 2_565 . ?
Br1 Ag1 Pt2 124.34(2) . . ?
Pt1 Ag1 Pt2 80.162(12) . . ?
Ag1 Br1 Ag1 81.860(19) 2_565 . ?
C16 S1 C15 98.4(2) . . ?
C16 S1 Pt1 113.15(19) . . ?
C15 S1 Pt1 111.16(19) . . ?
C16 S1 Pt2 112.31(18) . . ?
C15 S1 Pt2 117.66(18) . . ?
Pt1 S1 Pt2 104.49(5) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C1 118.4(9) . . ?
O1 C2 C3 121.6(8) . . ?
C1 C2 C3 120.0(8) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O2 C5 C6 125.8(14) . . ?
O2 C5 C4 124.4(14) . . ?
C6 C5 C4 109.8(16) . . ?

_diffrn_measured_fraction_theta_max 0.845
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.558
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.179