# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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data_mm066

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H40 N4 O2 Pt S2'
_chemical_formula_weight         916.01

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'
S S 0.1246 0.1234 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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

_cell_length_a                   11.8563(9)
_cell_length_b                   8.1225(5)
_cell_length_c                   23.6634(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.544(3)
_cell_angle_gamma                90.00
_cell_volume                     2274.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(1)
_cell_measurement_reflns_used    7782
_cell_measurement_theta_min      2.511
_cell_measurement_theta_max      26.091

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             916
_exptl_absorpt_coefficient_mu    3.213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.464
_exptl_absorpt_correction_T_max  0.725
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41855
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         26.48
_reflns_number_total             4676
_reflns_number_gt                3685
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_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^)+(0.0492P)^2^+3.7909P] 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         4676
_refine_ls_number_parameters     256
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_ref         0.0987
_refine_ls_wR_factor_gt          0.0944
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.0000 0.0000 0.0000 0.04384(10) Uani 1 2 d S . .
C13 C 0.1962(5) -0.0711(7) -0.37529(19) 0.0523(12) Uani 1 1 d . . .
H13 H 0.2192 -0.0032 -0.4041 0.063 Uiso 1 1 calc R . .
C14 C 0.1031(5) -0.1664(6) -0.3846(2) 0.0552(13) Uani 1 1 d . . .
H14 H 0.0636 -0.1642 -0.4198 0.066 Uiso 1 1 calc R . .
N1 N 0.1276(3) 0.0252(4) -0.04749(15) 0.0382(8) Uani 1 1 d . . .
C8 C 0.1027(3) -0.3822(5) -0.24056(18) 0.0368(9) Uani 1 1 d . . .
H8 H 0.0347 -0.4497 -0.2473 0.044 Uiso 1 1 calc R . .
C7 C 0.2838(3) -0.2035(5) -0.22392(16) 0.0315(8) Uani 1 1 d . . .
H7 H 0.3521 -0.1363 -0.2180 0.038 Uiso 1 1 calc R . .
C11 C 0.2580(4) -0.0735(5) -0.32329(18) 0.0388(9) Uani 1 1 d . . .
H11 H 0.3218 -0.0078 -0.3170 0.047 Uiso 1 1 calc R . .
C3 C 0.2117(3) -0.0721(5) -0.13372(16) 0.0319(8) Uani 1 1 d . . .
H3 H 0.2767 -0.0086 -0.1280 0.038 Uiso 1 1 calc R . .
C5 C 0.1978(3) -0.1727(5) -0.17964(16) 0.0314(8) Uani 1 1 d . . .
C9 C 0.2223(3) -0.1755(5) -0.28143(16) 0.0333(8) Uani 1 1 d . . .
C17 C 0.4106(4) -0.4602(5) -0.21104(18) 0.0372(9) Uani 1 1 d . . .
H17 H 0.4751 -0.3956 -0.2057 0.045 Uiso 1 1 calc R . .
N2 N -0.0432(4) -0.1517(5) -0.06185(16) 0.0455(9) Uani 1 1 d . . .
C16 C 0.2095(4) -0.4835(4) -0.22961(18) 0.0350(8) Uani 1 1 d . . .
C10 C 0.1269(4) -0.2718(5) -0.29049(17) 0.0371(9) Uani 1 1 d . . .
C15 C 0.3076(4) -0.3889(5) -0.22076(16) 0.0339(9) Uani 1 1 d . . .
C6 C 0.0979(3) -0.2698(5) -0.18889(17) 0.0349(8) Uani 1 1 d . . .
C2 C 0.0280(3) -0.1648(5) -0.10370(17) 0.0371(9) Uani 1 1 d . . .
C12 C 0.0657(4) -0.2678(6) -0.34200(19) 0.0462(11) Uani 1 1 d . . .
H12 H 0.0009 -0.3315 -0.3482 0.055 Uiso 1 1 calc R . .
C19 C 0.4183(4) -0.6328(5) -0.20920(19) 0.0469(11) Uani 1 1 d . . .
H19 H 0.4882 -0.6836 -0.2027 0.056 Uiso 1 1 calc R . .
C4 C 0.0145(4) -0.2663(5) -0.15206(18) 0.0385(9) Uani 1 1 d . . .
H4 H -0.0503 -0.3296 -0.1586 0.046 Uiso 1 1 calc R . .
C1 C 0.1265(4) -0.0658(5) -0.09512(16) 0.0352(9) Uani 1 1 d . . .
C18 C 0.2172(4) -0.6544(5) -0.22755(19) 0.0415(10) Uani 1 1 d . . .
H18 H 0.1527 -0.7191 -0.2331 0.050 Uiso 1 1 calc R . .
C20 C 0.3219(5) -0.7262(5) -0.2171(2) 0.0495(12) Uani 1 1 d . . .
H20 H 0.3274 -0.8404 -0.2154 0.059 Uiso 1 1 calc R . .
S101 S 0.5864(2) 0.0648(5) -0.11673(15) 0.0875(13) Uani 0.610(7) 1 d P A 1
O101 O 0.4847(7) -0.0253(10) -0.1128(5) 0.167(4) Uani 1 1 d . A 1
C101 C 0.6337(9) 0.0891(13) -0.0441(4) 0.122(3) Uani 1 1 d . A 1
H10A H 0.5814 0.1576 -0.0255 0.183 Uiso 1 1 calc R A 1
H10B H 0.7070 0.1395 -0.0417 0.183 Uiso 1 1 calc R A 1
H10C H 0.6379 -0.0168 -0.0261 0.183 Uiso 1 1 calc R A 1
C102 C 0.6846(7) -0.0748(14) -0.1330(3) 0.115(3) Uani 1 1 d . A 1
H10D H 0.6899 -0.1589 -0.1044 0.172 Uiso 1 1 calc R A 1
H10E H 0.7566 -0.0214 -0.1348 0.172 Uiso 1 1 calc R A 1
H10F H 0.6634 -0.1236 -0.1690 0.172 Uiso 1 1 calc R A 1
S102 S 0.5774(9) -0.0751(14) -0.0876(4) 0.152(4) Uiso 0.390(7) 1 d P A 2
H1 H 0.191(4) 0.082(6) -0.0398(18) 0.035(12) Uiso 1 1 d . . .
H2 H -0.104(4) -0.204(6) -0.0613(18) 0.036(13) Uiso 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
Pt1 0.05946(17) 0.04385(15) 0.02923(13) 0.00686(10) 0.01093(10) 0.01226(12)
C13 0.081(4) 0.044(2) 0.032(2) 0.005(2) 0.007(2) 0.017(3)
C14 0.078(4) 0.049(3) 0.037(2) -0.006(2) -0.009(2) 0.015(3)
N1 0.046(2) 0.041(2) 0.0280(17) 0.0021(14) 0.0051(15) 0.0036(16)
C8 0.036(2) 0.0296(19) 0.044(2) -0.0065(17) 0.0033(17) -0.0081(16)
C7 0.036(2) 0.0242(19) 0.034(2) 0.0010(15) 0.0020(16) -0.0026(15)
C11 0.050(2) 0.0273(19) 0.040(2) -0.0033(18) 0.0065(18) 0.0057(18)
C3 0.037(2) 0.0249(18) 0.033(2) 0.0011(16) -0.0030(16) 0.0021(16)
C5 0.037(2) 0.0259(18) 0.0308(19) 0.0045(15) 0.0027(15) 0.0031(15)
C9 0.046(2) 0.0234(18) 0.0308(19) -0.0032(15) 0.0053(16) 0.0062(16)
C17 0.041(2) 0.033(2) 0.038(2) 0.0026(16) 0.0074(17) 0.0015(16)
N2 0.054(2) 0.047(2) 0.037(2) 0.0064(17) 0.0154(17) 0.0048(19)
C16 0.045(2) 0.027(2) 0.035(2) -0.0022(16) 0.0107(16) -0.0039(16)
C10 0.044(2) 0.030(2) 0.037(2) -0.0051(16) 0.0039(17) 0.0071(17)
C15 0.044(2) 0.028(2) 0.0303(19) -0.0006(15) 0.0063(17) -0.0013(17)
C6 0.039(2) 0.031(2) 0.035(2) 0.0011(16) 0.0034(17) 0.0025(16)
C2 0.042(2) 0.033(2) 0.036(2) 0.0087(17) 0.0066(17) 0.0078(17)
C12 0.054(3) 0.039(2) 0.046(3) -0.014(2) -0.005(2) 0.004(2)
C19 0.057(3) 0.036(2) 0.048(3) 0.006(2) 0.006(2) 0.015(2)
C4 0.037(2) 0.034(2) 0.045(2) 0.0070(18) 0.0036(18) -0.0042(17)
C1 0.045(2) 0.0333(19) 0.0266(19) 0.0056(16) 0.0007(16) 0.0098(18)
C18 0.051(3) 0.025(2) 0.050(3) -0.0009(18) 0.012(2) -0.0065(18)
C20 0.081(4) 0.023(2) 0.046(3) 0.0007(18) 0.017(2) 0.006(2)
S101 0.0571(17) 0.095(2) 0.107(2) 0.0258(18) -0.0238(15) 0.0180(14)
O101 0.092(5) 0.189(9) 0.217(10) -0.035(6) -0.009(6) 0.005(5)
C101 0.152(9) 0.111(7) 0.103(6) -0.012(6) 0.008(6) -0.030(6)
C102 0.103(6) 0.176(8) 0.066(5) 0.022(6) 0.012(4) 0.020(6)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.951(4) 3 ?
Pt1 N1 1.951(4) . ?
Pt1 N2 1.957(4) 3 ?
Pt1 N2 1.957(4) . ?
C13 C14 1.355(8) . ?
C13 C11 1.393(6) . ?
C13 H13 0.9300 . ?
C14 C12 1.395(7) . ?
C14 H14 0.9300 . ?
N1 C1 1.347(6) . ?
N1 H1 0.89(5) . ?
C8 C16 1.518(6) . ?
C8 C10 1.525(6) . ?
C8 C6 1.530(5) . ?
C8 H8 0.9800 . ?
C7 C9 1.520(5) . ?
C7 C5 1.527(5) . ?
C7 C15 1.534(5) . ?
C7 H7 0.9800 . ?
C11 C9 1.378(6) . ?
C11 H11 0.9300 . ?
C3 C5 1.361(5) . ?
C3 C1 1.405(6) . ?
C3 H3 0.9300 . ?
C5 C6 1.428(5) . ?
C9 C10 1.382(6) . ?
C17 C15 1.358(6) . ?
C17 C19 1.406(6) . ?
C17 H17 0.9300 . ?
N2 C2 1.345(5) . ?
N2 H2 0.84(4) . ?
C16 C18 1.392(5) . ?
C16 C15 1.398(6) . ?
C10 C12 1.380(6) . ?
C6 C4 1.358(6) . ?
C2 C4 1.411(6) . ?
C2 C1 1.421(6) . ?
C12 H12 0.9300 . ?
C19 C20 1.375(7) . ?
C19 H19 0.9300 . ?
C4 H4 0.9300 . ?
C18 C20 1.380(7) . ?
C18 H18 0.9300 . ?
C20 H20 0.9300 . ?
S101 O101 1.419(9) . ?
S101 C102 1.687(10) . ?
S101 C101 1.785(9) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
C102 H10D 0.9600 . ?
C102 H10E 0.9600 . ?
C102 H10F 0.9600 . ?

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
N1 Pt1 N1 180.0(3) 3 . ?
N1 Pt1 N2 79.15(16) 3 3 ?
N1 Pt1 N2 100.85(16) . 3 ?
N1 Pt1 N2 100.85(16) 3 . ?
N1 Pt1 N2 79.15(16) . . ?
N2 Pt1 N2 180.00(15) 3 . ?
C14 C13 C11 121.0(5) . . ?
C14 C13 H13 119.5 . . ?
C11 C13 H13 119.5 . . ?
C13 C14 C12 120.8(4) . . ?
C13 C14 H14 119.6 . . ?
C12 C14 H14 119.6 . . ?
C1 N1 Pt1 117.1(3) . . ?
C1 N1 H1 115(3) . . ?
Pt1 N1 H1 128(3) . . ?
C16 C8 C10 104.9(3) . . ?
C16 C8 C6 105.0(3) . . ?
C10 C8 C6 106.6(3) . . ?
C16 C8 H8 113.2 . . ?
C10 C8 H8 113.2 . . ?
C6 C8 H8 113.2 . . ?
C9 C7 C5 106.7(3) . . ?
C9 C7 C15 105.5(3) . . ?
C5 C7 C15 104.8(3) . . ?
C9 C7 H7 113.1 . . ?
C5 C7 H7 113.1 . . ?
C15 C7 H7 113.1 . . ?
C9 C11 C13 118.4(4) . . ?
C9 C11 H11 120.8 . . ?
C13 C11 H11 120.8 . . ?
C5 C3 C1 118.9(4) . . ?
C5 C3 H3 120.5 . . ?
C1 C3 H3 120.5 . . ?
C3 C5 C6 120.8(4) . . ?
C3 C5 C7 126.3(4) . . ?
C6 C5 C7 112.8(3) . . ?
C11 C9 C10 120.9(4) . . ?
C11 C9 C7 125.6(4) . . ?
C10 C9 C7 113.4(3) . . ?
C15 C17 C19 119.1(4) . . ?
C15 C17 H17 120.5 . . ?
C19 C17 H17 120.5 . . ?
C2 N2 Pt1 116.9(3) . . ?
C2 N2 H2 123(3) . . ?
Pt1 N2 H2 120(3) . . ?
C18 C16 C15 119.4(4) . . ?
C18 C16 C8 126.7(4) . . ?
C15 C16 C8 113.9(3) . . ?
C12 C10 C9 120.3(4) . . ?
C12 C10 C8 125.8(4) . . ?
C9 C10 C8 113.8(3) . . ?
C17 C15 C16 121.5(4) . . ?
C17 C15 C7 126.0(4) . . ?
C16 C15 C7 112.5(4) . . ?
C4 C6 C5 121.3(4) . . ?
C4 C6 C8 126.2(4) . . ?
C5 C6 C8 112.4(3) . . ?
N2 C2 C4 126.7(4) . . ?
N2 C2 C1 113.4(4) . . ?
C4 C2 C1 119.8(4) . . ?
C10 C12 C14 118.6(4) . . ?
C10 C12 H12 120.7 . . ?
C14 C12 H12 120.7 . . ?
C20 C19 C17 119.6(4) . . ?
C20 C19 H19 120.2 . . ?
C17 C19 H19 120.2 . . ?
C6 C4 C2 118.8(4) . . ?
C6 C4 H4 120.6 . . ?
C2 C4 H4 120.6 . . ?
N1 C1 C3 126.4(4) . . ?
N1 C1 C2 113.3(4) . . ?
C3 C1 C2 120.3(4) . . ?
C20 C18 C16 118.9(4) . . ?
C20 C18 H18 120.5 . . ?
C16 C18 H18 120.5 . . ?
C19 C20 C18 121.5(4) . . ?
C19 C20 H20 119.3 . . ?
C18 C20 H20 119.3 . . ?
O101 S101 C102 105.6(6) . . ?
O101 S101 C101 102.2(6) . . ?
C102 S101 C101 96.5(5) . . ?

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
C11 C13 C14 C12 0.9(7) . . . . ?
N1 Pt1 N1 C1 129.5(4) 3 . . . ?
N2 Pt1 N1 C1 179.3(3) 3 . . . ?
N2 Pt1 N1 C1 -0.7(3) . . . . ?
C14 C13 C11 C9 0.1(7) . . . . ?
C1 C3 C5 C6 0.4(6) . . . . ?
C1 C3 C5 C7 -176.1(4) . . . . ?
C9 C7 C5 C3 -128.7(4) . . . . ?
C15 C7 C5 C3 119.7(4) . . . . ?
C9 C7 C5 C6 54.5(4) . . . . ?
C15 C7 C5 C6 -57.0(4) . . . . ?
C13 C11 C9 C10 -0.7(6) . . . . ?
C13 C11 C9 C7 175.2(4) . . . . ?
C5 C7 C9 C11 127.6(4) . . . . ?
C15 C7 C9 C11 -121.2(4) . . . . ?
C5 C7 C9 C10 -56.1(4) . . . . ?
C15 C7 C9 C10 55.0(4) . . . . ?
N1 Pt1 N2 C2 179.7(3) 3 . . . ?
N1 Pt1 N2 C2 -0.3(3) . . . . ?
N2 Pt1 N2 C2 -83(35) 3 . . . ?
C10 C8 C16 C18 -125.1(4) . . . . ?
C6 C8 C16 C18 122.7(5) . . . . ?
C10 C8 C16 C15 55.2(4) . . . . ?
C6 C8 C16 C15 -57.0(4) . . . . ?
C11 C9 C10 C12 0.3(6) . . . . ?
C7 C9 C10 C12 -176.1(4) . . . . ?
C11 C9 C10 C8 177.5(4) . . . . ?
C7 C9 C10 C8 1.1(5) . . . . ?
C16 C8 C10 C12 120.7(4) . . . . ?
C6 C8 C10 C12 -128.3(4) . . . . ?
C16 C8 C10 C9 -56.3(4) . . . . ?
C6 C8 C10 C9 54.7(4) . . . . ?
C19 C17 C15 C16 -0.8(6) . . . . ?
C19 C17 C15 C7 179.8(4) . . . . ?
C18 C16 C15 C17 1.0(6) . . . . ?
C8 C16 C15 C17 -179.2(4) . . . . ?
C18 C16 C15 C7 -179.4(4) . . . . ?
C8 C16 C15 C7 0.3(5) . . . . ?
C9 C7 C15 C17 123.8(4) . . . . ?
C5 C7 C15 C17 -123.8(4) . . . . ?
C9 C7 C15 C16 -55.7(4) . . . . ?
C5 C7 C15 C16 56.7(4) . . . . ?
C3 C5 C6 C4 -0.7(6) . . . . ?
C7 C5 C6 C4 176.2(4) . . . . ?
C3 C5 C6 C8 -176.2(3) . . . . ?
C7 C5 C6 C8 0.8(5) . . . . ?
C16 C8 C6 C4 -119.3(4) . . . . ?
C10 C8 C6 C4 129.8(4) . . . . ?
C16 C8 C6 C5 55.9(4) . . . . ?
C10 C8 C6 C5 -55.0(4) . . . . ?
Pt1 N2 C2 C4 179.7(3) . . . . ?
Pt1 N2 C2 C1 1.2(5) . . . . ?
C9 C10 C12 C14 0.7(6) . . . . ?
C8 C10 C12 C14 -176.2(4) . . . . ?
C13 C14 C12 C10 -1.3(7) . . . . ?
C15 C17 C19 C20 -0.1(7) . . . . ?
C5 C6 C4 C2 -0.3(6) . . . . ?
C8 C6 C4 C2 174.5(4) . . . . ?
N2 C2 C4 C6 -176.9(4) . . . . ?
C1 C2 C4 C6 1.5(6) . . . . ?
Pt1 N1 C1 C3 -176.9(3) . . . . ?
Pt1 N1 C1 C2 1.5(4) . . . . ?
C5 C3 C1 N1 179.2(4) . . . . ?
C5 C3 C1 C2 0.8(6) . . . . ?
N2 C2 C1 N1 -1.7(5) . . . . ?
C4 C2 C1 N1 179.6(4) . . . . ?
N2 C2 C1 C3 176.8(4) . . . . ?
C4 C2 C1 C3 -1.8(6) . . . . ?
C15 C16 C18 C20 -0.4(7) . . . . ?
C8 C16 C18 C20 179.9(4) . . . . ?
C17 C19 C20 C18 0.7(7) . . . . ?
C16 C18 C20 C19 -0.5(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.48
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.496
_refine_diff_density_min         -0.759
_refine_diff_density_rms         0.098

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.097 0.000 0.500 258 91 ' '
2 0.461 0.500 1.000 258 91 ' '
_platon_squeeze_details          
;
;
_database_code_depnum_ccdc_archive 'CCDC 940143'