# Electronic Supplementary Material (ESI) for Chemical Communications
# 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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data_yubr0830
_database_code_depnum_ccdc_archive 'CCDC 923693'
#TrackingRef 'yubr0830.cif'
_audit_creation_date             2012-09-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
?
;
_chemical_formula_moiety         'C34 H34 N2 Pt, C H2 Cl2'
_chemical_formula_sum            'C35 H36 Cl2 N2 Pt'
_chemical_formula_weight         750.65
_chemical_melting_point          ?
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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'
_cell_length_a                   10.3930(4)
_cell_length_b                   10.4002(4)
_cell_length_c                   15.2797(7)
_cell_angle_alpha                109.735(4)
_cell_angle_beta                 90.674(3)
_cell_angle_gamma                97.278(3)
_cell_volume                     1539.41(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7404
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.5961
_cell_measurement_theta_min      3.0161
_exptl_absorpt_coefficient_mu    4.758
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10955
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.02
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.9808
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
1 omega -68.00 -36.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- -19.3492 -57.0000 -180.0000 32
#__ type_ start__ end____ width___ exp.time_
2 omega 0.00 51.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- -19.3492 57.0000 -60.0000 51
#__ type_ start__ end____ width___ exp.time_
3 omega 58.00 84.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 178.0000 -180.0000 26
#__ type_ start__ end____ width___ exp.time_
4 omega 26.00 94.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 38.0000 90.0000 68
#__ type_ start__ end____ width___ exp.time_
5 omega -1.00 93.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 57.0000 -180.0000 94
#__ type_ start__ end____ width___ exp.time_
6 omega -20.00 68.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 -99.0000 30.0000 88
#__ type_ start__ end____ width___ exp.time_
7 omega -16.00 68.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 -99.0000 -90.0000 84
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0120012000
_diffrn_orient_matrix_UB_12      0.0201122000
_diffrn_orient_matrix_UB_13      0.0488939000
_diffrn_orient_matrix_UB_21      -0.0648826000
_diffrn_orient_matrix_UB_22      -0.0269960000
_diffrn_orient_matrix_UB_23      0.0042447000
_diffrn_orient_matrix_UB_31      0.0199042000
_diffrn_orient_matrix_UB_32      -0.0649597000
_diffrn_orient_matrix_UB_33      -0.0056519000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5501
_reflns_number_total             5842
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_refine_diff_density_max         1.828
_refine_diff_density_min         -1.441
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5842
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0277
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0666
_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.
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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 0.154061(12) 0.216611(12) -0.002554(9) 0.00910(6) Uani 1 1 d . . .
Cl1 Cl 0.89194(12) 0.65605(12) 0.28557(8) 0.0316(3) Uani 1 1 d . . .
Cl2 Cl 0.65341(10) 0.78166(13) 0.32505(9) 0.0333(3) Uani 1 1 d . . .
N1 N 0.1999(3) 0.3476(3) 0.1323(2) 0.0093(6) Uani 1 1 d . . .
N2 N -0.0224(3) 0.2020(3) 0.0557(2) 0.0100(6) Uani 1 1 d . . .
C1 C 0.3158(4) 0.4274(4) 0.1654(3) 0.0136(8) Uani 1 1 d . . .
H1 H 0.3836 0.4210 0.1257 0.016 Uiso 1 1 calc R . .
C2 C 0.3361(3) 0.5166(4) 0.2549(3) 0.0128(8) Uani 1 1 d . . .
H2 H 0.4161 0.5716 0.2740 0.015 Uiso 1 1 calc R . .
C3 C 0.2387(4) 0.5268(4) 0.3184(3) 0.0125(8) Uani 1 1 d . . .
C4 C 0.1199(4) 0.4452(4) 0.2831(3) 0.0131(8) Uani 1 1 d . . .
H4 H 0.0513 0.4484 0.3220 0.016 Uiso 1 1 calc R . .
C5 C 0.1028(3) 0.3597(4) 0.1908(2) 0.0096(7) Uani 1 1 d . . .
C6 C -0.0229(3) 0.2760(4) 0.1477(3) 0.0100(7) Uani 1 1 d . . .
C7 C -0.1344(3) 0.2737(4) 0.1954(3) 0.0118(8) Uani 1 1 d . . .
H7 H -0.1318 0.3242 0.2587 0.014 Uiso 1 1 calc R . .
C8 C -0.2511(3) 0.1972(4) 0.1503(3) 0.0115(8) Uani 1 1 d . . .
C9 C -0.2475(3) 0.1223(4) 0.0565(3) 0.0111(8) Uani 1 1 d . . .
H9 H -0.3227 0.0692 0.0233 0.013 Uiso 1 1 calc R . .
C10 C -0.1333(3) 0.1261(4) 0.0122(3) 0.0110(8) Uani 1 1 d . . .
H10 H -0.1332 0.0738 -0.0506 0.013 Uiso 1 1 calc R . .
C11 C 0.2617(4) 0.6252(4) 0.4186(3) 0.0160(8) Uani 1 1 d . . .
C12 C 0.2736(4) 0.7733(4) 0.4194(3) 0.0259(10) Uani 1 1 d . . .
H12A H 0.1953 0.7868 0.3916 0.039 Uiso 1 1 calc R . .
H12B H 0.3460 0.7904 0.3845 0.039 Uiso 1 1 calc R . .
H12C H 0.2869 0.8359 0.4824 0.039 Uiso 1 1 calc R . .
C13 C 0.3885(4) 0.6022(5) 0.4611(3) 0.0232(10) Uani 1 1 d . . .
H13A H 0.4026 0.6629 0.5246 0.035 Uiso 1 1 calc R . .
H13B H 0.4601 0.6211 0.4261 0.035 Uiso 1 1 calc R . .
H13C H 0.3818 0.5083 0.4589 0.035 Uiso 1 1 calc R . .
C14 C 0.1511(4) 0.5997(4) 0.4786(3) 0.0220(9) Uani 1 1 d . . .
H14A H 0.1414 0.5053 0.4757 0.033 Uiso 1 1 calc R . .
H14B H 0.0717 0.6184 0.4557 0.033 Uiso 1 1 calc R . .
H14C H 0.1708 0.6593 0.5419 0.033 Uiso 1 1 calc R . .
C15 C -0.3727(3) 0.1941(4) 0.2042(3) 0.0124(8) Uani 1 1 d . . .
C16 C -0.3922(4) 0.3423(4) 0.2623(3) 0.0175(8) Uani 1 1 d . . .
H16A H -0.3996 0.3947 0.2218 0.026 Uiso 1 1 calc R . .
H16B H -0.3191 0.3844 0.3061 0.026 Uiso 1 1 calc R . .
H16C H -0.4700 0.3404 0.2953 0.026 Uiso 1 1 calc R . .
C17 C -0.4945(4) 0.1255(4) 0.1398(3) 0.0168(8) Uani 1 1 d . . .
H17A H -0.5695 0.1303 0.1762 0.025 Uiso 1 1 calc R . .
H17B H -0.4864 0.0307 0.1064 0.025 Uiso 1 1 calc R . .
H17C H -0.5040 0.1726 0.0963 0.025 Uiso 1 1 calc R . .
C18 C -0.3537(4) 0.1116(4) 0.2693(3) 0.0159(8) Uani 1 1 d . . .
H18A H -0.4284 0.1107 0.3055 0.024 Uiso 1 1 calc R . .
H18B H -0.2778 0.1541 0.3101 0.024 Uiso 1 1 calc R . .
H18C H -0.3431 0.0187 0.2327 0.024 Uiso 1 1 calc R . .
C19 C 0.3295(4) 0.2387(4) -0.0449(2) 0.0098(7) Uani 1 1 d . . .
C20 C 0.4414(4) 0.2580(4) -0.0641(3) 0.0124(8) Uani 1 1 d . . .
C21 C 0.5783(4) 0.2873(4) -0.0775(3) 0.0113(8) Uani 1 1 d . . .
C22 C 0.6554(4) 0.3940(4) -0.0083(3) 0.0167(8) Uani 1 1 d . . .
H22 H 0.6178 0.4464 0.0445 0.020 Uiso 1 1 calc R . .
C23 C 0.7878(4) 0.4224(4) -0.0178(3) 0.0193(9) Uani 1 1 d . . .
H23 H 0.8384 0.4934 0.0287 0.023 Uiso 1 1 calc R . .
C24 C 0.8442(4) 0.3459(4) -0.0958(3) 0.0187(9) Uani 1 1 d . . .
H24 H 0.9330 0.3644 -0.1016 0.022 Uiso 1 1 calc R . .
C25 C 0.7687(4) 0.2409(4) -0.1657(3) 0.0186(9) Uani 1 1 d . . .
H25 H 0.8068 0.1901 -0.2188 0.022 Uiso 1 1 calc R . .
C26 C 0.6365(4) 0.2116(4) -0.1569(3) 0.0158(8) Uani 1 1 d . . .
H26 H 0.5864 0.1412 -0.2040 0.019 Uiso 1 1 calc R . .
C27 C 0.0868(4) 0.0966(4) -0.1272(3) 0.0116(8) Uani 1 1 d . . .
C28 C 0.0324(4) 0.0272(4) -0.2009(3) 0.0133(8) Uani 1 1 d . . .
C29 C -0.0443(4) -0.0516(4) -0.2855(3) 0.0135(8) Uani 1 1 d . . .
C30 C 0.0014(4) -0.0635(4) -0.3730(3) 0.0181(9) Uani 1 1 d . . .
H30 H 0.0844 -0.0217 -0.3775 0.022 Uiso 1 1 calc R . .
C31 C -0.0756(4) -0.1367(4) -0.4529(3) 0.0241(10) Uani 1 1 d . . .
H31 H -0.0437 -0.1441 -0.5108 0.029 Uiso 1 1 calc R . .
C32 C -0.2003(4) -0.1995(4) -0.4477(3) 0.0250(10) Uani 1 1 d . . .
H32 H -0.2522 -0.2479 -0.5017 0.030 Uiso 1 1 calc R . .
C33 C -0.2463(4) -0.1889(4) -0.3613(3) 0.0264(10) Uani 1 1 d . . .
H33 H -0.3290 -0.2319 -0.3571 0.032 Uiso 1 1 calc R . .
C34 C -0.1700(4) -0.1148(4) -0.2812(3) 0.0189(9) Uani 1 1 d . . .
H34 H -0.2026 -0.1068 -0.2234 0.023 Uiso 1 1 calc R . .
C36 C 0.7563(4) 0.7015(5) 0.2383(3) 0.0252(10) Uani 1 1 d . . .
H36A H 0.7076 0.6193 0.1938 0.030 Uiso 1 1 calc R . .
H36B H 0.7861 0.7637 0.2054 0.030 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.00719(9) 0.01047(9) 0.00802(9) 0.00145(6) -0.00056(6) 0.00025(6)
Cl1 0.0363(6) 0.0290(6) 0.0294(6) 0.0083(5) -0.0029(5) 0.0093(5)
Cl2 0.0222(6) 0.0473(7) 0.0359(7) 0.0223(6) 0.0009(5) 0.0024(5)
N1 0.0075(15) 0.0130(15) 0.0051(16) 0.0002(12) -0.0014(12) 0.0018(12)
N2 0.0087(15) 0.0115(15) 0.0096(16) 0.0034(13) -0.0008(12) 0.0011(12)
C1 0.0084(18) 0.0162(19) 0.016(2) 0.0057(16) -0.0013(15) 0.0007(15)
C2 0.0066(18) 0.0129(19) 0.015(2) 0.0014(15) -0.0041(15) -0.0024(15)
C3 0.0128(19) 0.0121(18) 0.011(2) 0.0015(15) -0.0041(15) 0.0024(15)
C4 0.0087(18) 0.0185(19) 0.011(2) 0.0034(15) 0.0026(15) 0.0036(15)
C5 0.0097(18) 0.0128(18) 0.0064(18) 0.0034(14) 0.0000(14) 0.0012(15)
C6 0.0075(18) 0.0137(18) 0.0087(19) 0.0034(15) 0.0006(14) 0.0016(15)
C7 0.0140(19) 0.0110(18) 0.0080(19) 0.0007(14) -0.0001(15) 0.0004(15)
C8 0.0075(18) 0.0102(18) 0.018(2) 0.0053(15) 0.0006(15) 0.0030(14)
C9 0.0083(18) 0.0087(18) 0.014(2) 0.0027(15) -0.0042(15) -0.0036(14)
C10 0.0128(19) 0.0089(17) 0.0093(19) 0.0017(14) -0.0024(15) -0.0012(15)
C11 0.0128(19) 0.021(2) 0.010(2) -0.0004(16) -0.0012(15) 0.0000(16)
C12 0.033(3) 0.018(2) 0.018(2) -0.0024(17) -0.0010(19) -0.0033(19)
C13 0.018(2) 0.034(2) 0.012(2) 0.0016(18) -0.0048(17) 0.0009(19)
C14 0.020(2) 0.026(2) 0.012(2) -0.0031(17) -0.0008(17) -0.0028(18)
C15 0.0099(18) 0.0143(19) 0.012(2) 0.0030(15) 0.0020(15) 0.0012(15)
C16 0.0125(19) 0.018(2) 0.018(2) 0.0022(17) 0.0035(16) 0.0024(16)
C17 0.0092(19) 0.019(2) 0.019(2) 0.0037(17) 0.0002(16) -0.0019(16)
C18 0.0137(19) 0.0162(19) 0.016(2) 0.0035(16) -0.0005(16) -0.0011(16)
C19 0.015(2) 0.0087(17) 0.0036(18) -0.0009(14) -0.0007(14) 0.0032(15)
C20 0.0104(19) 0.0128(18) 0.012(2) 0.0027(15) 0.0002(15) 0.0006(15)
C21 0.0115(19) 0.0112(18) 0.014(2) 0.0074(15) -0.0010(15) 0.0028(15)
C22 0.017(2) 0.0138(19) 0.019(2) 0.0046(16) 0.0004(17) 0.0023(16)
C23 0.014(2) 0.016(2) 0.027(2) 0.0082(18) -0.0096(18) -0.0025(16)
C24 0.0086(19) 0.022(2) 0.031(3) 0.0161(19) 0.0010(17) 0.0018(16)
C25 0.017(2) 0.021(2) 0.023(2) 0.0115(18) 0.0063(17) 0.0065(17)
C26 0.018(2) 0.0152(19) 0.015(2) 0.0068(16) 0.0019(16) 0.0001(16)
C27 0.0124(19) 0.0122(18) 0.009(2) 0.0009(15) 0.0021(15) 0.0033(15)
C28 0.0105(18) 0.0137(19) 0.016(2) 0.0041(16) 0.0021(16) 0.0038(15)
C29 0.0145(19) 0.0111(18) 0.012(2) -0.0006(15) -0.0005(15) 0.0031(15)
C30 0.018(2) 0.017(2) 0.016(2) 0.0011(16) -0.0009(17) 0.0015(17)
C31 0.036(3) 0.022(2) 0.012(2) 0.0032(17) 0.0020(19) 0.005(2)
C32 0.027(2) 0.024(2) 0.018(2) 0.0002(18) -0.0103(19) 0.0040(19)
C33 0.019(2) 0.025(2) 0.030(3) 0.0067(19) -0.0106(19) -0.0083(18)
C34 0.023(2) 0.021(2) 0.010(2) 0.0030(16) -0.0004(17) -0.0006(17)
C36 0.022(2) 0.038(3) 0.016(2) 0.0125(19) -0.0081(18) -0.0055(19)
_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 2.061(3) . ?
Pt1 N2 2.059(3) . ?
Pt1 C19 1.954(4) . ?
Pt1 C27 1.954(4) . ?
Cl1 C36 1.763(4) . ?
Cl2 C36 1.763(5) . ?
N1 C1 1.357(5) . ?
N1 C5 1.346(5) . ?
N2 C6 1.356(5) . ?
N2 C10 1.338(5) . ?
C1 C2 1.365(5) . ?
C2 C3 1.399(5) . ?
C3 C4 1.394(5) . ?
C3 C11 1.524(5) . ?
C4 C5 1.384(5) . ?
C5 C6 1.484(5) . ?
C6 C7 1.378(5) . ?
C7 C8 1.394(5) . ?
C8 C9 1.384(5) . ?
C8 C15 1.519(5) . ?
C9 C10 1.376(5) . ?
C11 C12 1.526(5) . ?
C11 C13 1.543(5) . ?
C11 C14 1.531(5) . ?
C15 C16 1.538(5) . ?
C15 C17 1.532(5) . ?
C15 C18 1.543(5) . ?
C19 C20 1.212(5) . ?
C20 C21 1.448(5) . ?
C21 C22 1.397(5) . ?
C21 C26 1.396(5) . ?
C22 C23 1.391(6) . ?
C23 C24 1.375(6) . ?
C24 C25 1.387(6) . ?
C25 C26 1.388(5) . ?
C27 C28 1.200(5) . ?
C28 C29 1.440(5) . ?
C29 C30 1.395(5) . ?
C29 C34 1.399(5) . ?
C30 C31 1.380(6) . ?
C31 C32 1.392(6) . ?
C32 C33 1.384(6) . ?
C33 C34 1.381(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
N2 Pt1 N1 78.93(12) . . ?
C19 Pt1 N1 95.44(13) . . ?
C19 Pt1 N2 174.13(12) . . ?
C19 Pt1 C27 91.65(15) . . ?
C27 Pt1 N1 172.41(12) . . ?
C27 Pt1 N2 94.06(14) . . ?
C1 N1 Pt1 126.1(3) . . ?
C5 N1 Pt1 116.1(2) . . ?
C5 N1 C1 117.7(3) . . ?
C6 N2 Pt1 115.3(2) . . ?
C10 N2 Pt1 126.5(3) . . ?
C10 N2 C6 118.2(3) . . ?
N1 C1 C2 122.3(4) . . ?
C1 C2 C3 121.1(3) . . ?
C2 C3 C11 121.2(3) . . ?
C4 C3 C2 115.8(3) . . ?
C4 C3 C11 122.9(3) . . ?
C5 C4 C3 120.8(3) . . ?
N1 C5 C4 122.1(3) . . ?
N1 C5 C6 114.4(3) . . ?
C4 C5 C6 123.5(3) . . ?
N2 C6 C5 115.2(3) . . ?
N2 C6 C7 121.1(3) . . ?
C7 C6 C5 123.7(3) . . ?
C6 C7 C8 121.1(3) . . ?
C7 C8 C15 120.5(3) . . ?
C9 C8 C7 116.4(3) . . ?
C9 C8 C15 123.1(3) . . ?
C10 C9 C8 120.4(3) . . ?
N2 C10 C9 122.7(3) . . ?
C3 C11 C12 109.0(3) . . ?
C3 C11 C13 109.2(3) . . ?
C3 C11 C14 111.4(3) . . ?
C12 C11 C13 109.6(3) . . ?
C12 C11 C14 109.7(3) . . ?
C14 C11 C13 107.8(3) . . ?
C8 C15 C16 109.5(3) . . ?
C8 C15 C17 112.2(3) . . ?
C8 C15 C18 108.0(3) . . ?
C16 C15 C18 109.7(3) . . ?
C17 C15 C16 108.6(3) . . ?
C17 C15 C18 108.9(3) . . ?
C20 C19 Pt1 175.0(3) . . ?
C19 C20 C21 174.4(4) . . ?
C22 C21 C20 119.1(4) . . ?
C26 C21 C20 122.3(4) . . ?
C26 C21 C22 118.7(4) . . ?
C23 C22 C21 120.6(4) . . ?
C24 C23 C22 120.2(4) . . ?
C23 C24 C25 120.0(4) . . ?
C24 C25 C26 120.2(4) . . ?
C25 C26 C21 120.3(4) . . ?
C28 C27 Pt1 172.7(3) . . ?
C27 C28 C29 174.5(4) . . ?
C30 C29 C28 121.8(3) . . ?
C30 C29 C34 118.2(4) . . ?
C34 C29 C28 119.9(4) . . ?
C31 C30 C29 120.6(4) . . ?
C30 C31 C32 120.7(4) . . ?
C33 C32 C31 119.2(4) . . ?
C34 C33 C32 120.3(4) . . ?
C33 C34 C29 121.1(4) . . ?
Cl1 C36 Cl2 112.0(2) . . ?


data_yubr0914
_database_code_depnum_ccdc_archive 'CCDC 923694'
#TrackingRef 'yubr0914.cif'
_audit_creation_date             2013-01-04
_audit_creation_method           
;
Olex2 1.2
(compiled Dec 5 2012 16:20:19, GUI svn.r4385)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H34 N2 Pt'
_chemical_formula_sum            'C34 H34 N2 Pt'
_chemical_formula_weight         665.72
_chemical_melting_point          ?
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 0.500 0.500 0.000 254 60 ' '
2 0.469 0.958 0.083 8 1 ' '
3 0.531 0.042 0.917 8 1 ' '
_platon_squeeze_details          
;
;
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'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'
_cell_length_a                   10.5062(8)
_cell_length_b                   10.8025(5)
_cell_length_c                   14.7466(7)
_cell_angle_alpha                78.098(4)
_cell_angle_beta                 79.170(5)
_cell_angle_gamma                82.432(5)
_cell_volume                     1600.95(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4848
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4424
_cell_measurement_theta_min      3.1369
_exptl_absorpt_coefficient_mu    4.404
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_exptl_special_details           
;
?
;
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6055
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         3.14
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5224
_reflns_number_total             6055
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XH, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.938
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.120
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         6055
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0375
_refine_ls_restrained_S_all      0.976
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0319P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0845
_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.
;
_olex2_refinement_description    
;
1. Fixed Uiso
At 1.2 times of:
H6 of C6, H19 of C19, H5 of C5, H18 of C18, H21 of C21, H26 of C26, H24 of
C24, H4 of C4, H3 of C3, H27 of C27, H2 of C2, H10 of C10, H12 of C12, H13 of
C13, H14 of C14, H15 of C15
At 1.5 times of:
{H36A,H36B,H36C} of C36, {H33A,H33B,H33C} of C33, {H31A,H31B,H31C} of C31,
{H30A,H30B,H30C} of C30, {H34A,H34B,H34C} of C34, {H29A,H29B,H29C} of C29
2.a Aromatic/amide H refined with riding coordinates:
C18(H18), C5(H5), C19(H19), C6(H6), C15(H15), C27(H27), C2(H2), C21(H21),
C26(H26), C24(H24), C4(H4), C3(H3), C14(H14), C13(H13), C12(H12), C10(H10)
2.b Idealised Me refined as rotating group:
C29(H29A,H29B,H29C), C33(H33A,H33B,H33C), C31(H31A,H31B,H31C), C30(H30A,H30B,
H30C), C36(H36A,H36B,H36C), C34(H34A,H34B,H34C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.35161(2) 0.217714(18) 0.493520(14) 0.03416(9) Uani 1 1 d . . .
C18 C 0.6340(5) 0.1130(5) 0.5100(4) 0.0349(12) Uani 1 1 d . . .
H18 H 0.6438 0.1059 0.4472 0.042 Uiso 1 1 calc R . .
N1 N 0.5177(4) 0.1587(4) 0.5524(3) 0.0306(10) Uani 1 1 d . . .
N2 N 0.2860(4) 0.2492(4) 0.6293(3) 0.0358(10) Uani 1 1 d . . .
C17 C 0.4337(5) 0.1906(5) 0.3686(4) 0.0403(13) Uani 1 1 d . . .
C8 C 0.1826(6) 0.2732(5) 0.4523(4) 0.0416(14) Uani 1 1 d . . .
C5 C -0.2416(7) 0.3584(6) 0.3422(5) 0.064(2) Uani 1 1 d . . .
H5 H -0.2747 0.3449 0.2912 0.077 Uiso 1 1 calc R . .
C22 C 0.5067(5) 0.1677(5) 0.6446(4) 0.0319(12) Uani 1 1 d . . .
C19 C 0.7393(5) 0.0762(5) 0.5563(4) 0.0406(14) Uani 1 1 d . . .
H19 H 0.8179 0.0448 0.5243 0.049 Uiso 1 1 calc R . .
C6 C -0.1112(6) 0.3246(5) 0.3485(4) 0.0494(15) Uani 1 1 d . . .
H6 H -0.0573 0.2887 0.3011 0.059 Uiso 1 1 calc R . .
C15 C 0.7111(7) 0.0888(7) 0.2138(5) 0.069(2) Uani 1 1 d . . .
H15 H 0.7387 0.0591 0.2714 0.083 Uiso 1 1 calc R . .
C7 C 0.0742(6) 0.3061(5) 0.4347(4) 0.0413(14) Uani 1 1 d . . .
C28 C 0.8431(5) 0.0444(5) 0.7032(4) 0.0416(13) Uani 1 1 d . . .
C29 C 0.9736(6) 0.0205(6) 0.6386(4) 0.0551(17) Uani 1 1 d . . .
H29A H 0.9703 -0.0503 0.6094 0.083 Uiso 1 1 calc R . .
H29B H 1.0427 0.0021 0.6752 0.083 Uiso 1 1 calc R . .
H29C H 0.9891 0.0948 0.5911 0.083 Uiso 1 1 calc R . .
C23 C 0.3762(5) 0.2202(5) 0.6864(4) 0.0353(12) Uani 1 1 d . . .
C33 C 0.1647(9) 0.4656(7) 0.9080(5) 0.079(2) Uani 1 1 d . . .
H33A H 0.2403 0.5056 0.8740 0.119 Uiso 1 1 calc R . .
H33B H 0.1468 0.4824 0.9708 0.119 Uiso 1 1 calc R . .
H33C H 0.0914 0.4987 0.8770 0.119 Uiso 1 1 calc R . .
C16 C 0.4998(6) 0.1720(6) 0.2959(4) 0.0490(15) Uani 1 1 d . . .
C27 C 0.1673(5) 0.3014(5) 0.6623(4) 0.0402(13) Uani 1 1 d . . .
H27 H 0.1048 0.3224 0.6232 0.048 Uiso 1 1 calc R . .
C20 C 0.7295(5) 0.0855(5) 0.6491(4) 0.0339(12) Uani 1 1 d . . .
C2 C -0.1450(6) 0.3991(5) 0.4913(4) 0.0501(15) Uani 1 1 d . . .
H2 H -0.1138 0.4144 0.5425 0.060 Uiso 1 1 calc R . .
C9 C 0.5863(6) 0.1507(6) 0.2097(4) 0.0522(16) Uani 1 1 d . . .
C1 C -0.0593(6) 0.3432(5) 0.4240(4) 0.0420(14) Uani 1 1 d . . .
C31 C 0.8568(7) 0.1459(6) 0.7568(5) 0.068(2) Uani 1 1 d . . .
H31A H 0.9357 0.1255 0.7830 0.102 Uiso 1 1 calc R . .
H31B H 0.7837 0.1500 0.8064 0.102 Uiso 1 1 calc R . .
H31C H 0.8599 0.2266 0.7148 0.102 Uiso 1 1 calc R . .
C32 C 0.1891(6) 0.3244(6) 0.9115(4) 0.0552(17) Uani 1 1 d . . .
C30 C 0.8140(7) -0.0779(7) 0.7721(5) 0.076(2) Uani 1 1 d . . .
H30A H 0.8009 -0.1411 0.7385 0.113 Uiso 1 1 calc R . .
H30B H 0.7369 -0.0623 0.8163 0.113 Uiso 1 1 calc R . .
H30C H 0.8860 -0.1077 0.8051 0.113 Uiso 1 1 calc R . .
C21 C 0.6098(5) 0.1307(5) 0.6917(4) 0.0396(13) Uani 1 1 d . . .
H21 H 0.5984 0.1364 0.7548 0.047 Uiso 1 1 calc R . .
C25 C 0.2245(6) 0.2945(5) 0.8141(4) 0.0431(14) Uani 1 1 d . . .
C26 C 0.1366(6) 0.3244(5) 0.7516(4) 0.0461(14) Uani 1 1 d . . .
H26 H 0.0537 0.3615 0.7714 0.055 Uiso 1 1 calc R . .
C24 C 0.3457(5) 0.2411(5) 0.7784(4) 0.0421(14) Uani 1 1 d . . .
H24 H 0.4087 0.2184 0.8171 0.050 Uiso 1 1 calc R . .
C4 C -0.3218(7) 0.4120(6) 0.4121(5) 0.0604(18) Uani 1 1 d . . .
H4 H -0.4095 0.4339 0.4084 0.072 Uiso 1 1 calc R . .
C3 C -0.2746(7) 0.4329(6) 0.4849(5) 0.0596(18) Uani 1 1 d . . .
H3 H -0.3292 0.4702 0.5313 0.072 Uiso 1 1 calc R . .
C36 C 0.2956(8) 0.2691(8) 0.9701(4) 0.083(2) Uani 1 1 d . . .
H36A H 0.3705 0.3156 0.9472 0.124 Uiso 1 1 calc R . .
H36B H 0.3191 0.1814 0.9654 0.124 Uiso 1 1 calc R . .
H36C H 0.2641 0.2754 1.0346 0.124 Uiso 1 1 calc R . .
C34 C 0.0627(7) 0.2624(8) 0.9618(5) 0.079(2) Uani 1 1 d . . .
H34A H 0.0422 0.2769 1.0252 0.119 Uiso 1 1 calc R . .
H34B H 0.0758 0.1726 0.9624 0.119 Uiso 1 1 calc R . .
H34C H -0.0079 0.2994 0.9289 0.119 Uiso 1 1 calc R . .
C14 C 0.7917(8) 0.0725(9) 0.1326(6) 0.091(3) Uani 1 1 d . . .
H14 H 0.8753 0.0330 0.1361 0.109 Uiso 1 1 calc R . .
C13 C 0.7566(10) 0.1102(10) 0.0489(6) 0.111(3) Uani 1 1 d . . .
H13 H 0.8138 0.0947 -0.0047 0.133 Uiso 1 1 calc R . .
C12 C 0.6366(11) 0.1717(14) 0.0420(6) 0.159(6) Uani 1 1 d . . .
H12 H 0.6120 0.2005 -0.0167 0.191 Uiso 1 1 calc R . .
C10 C 0.5500(9) 0.1917(11) 0.1234(5) 0.127(4) Uani 1 1 d . . .
H10 H 0.4674 0.2330 0.1187 0.153 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pt1 0.02907(14) 0.03916(13) 0.03391(13) -0.00503(9) -0.00615(9) -0.00355(9)
C18 0.027(3) 0.043(3) 0.033(3) -0.005(2) -0.002(2) -0.001(2)
N1 0.023(2) 0.037(2) 0.033(2) -0.0089(19) -0.0061(18) -0.0009(18)
N2 0.023(3) 0.041(2) 0.043(3) -0.010(2) -0.005(2) 0.002(2)
C17 0.028(3) 0.050(3) 0.043(3) -0.008(3) -0.006(3) -0.003(3)
C8 0.043(4) 0.041(3) 0.039(3) -0.003(2) -0.010(3) -0.002(3)
C5 0.064(5) 0.059(4) 0.079(5) 0.005(4) -0.044(4) -0.023(4)
C22 0.020(3) 0.038(3) 0.034(3) -0.007(2) -0.001(2) 0.002(2)
C19 0.028(3) 0.044(3) 0.044(3) -0.010(3) 0.006(2) 0.001(2)
C6 0.039(4) 0.057(4) 0.054(4) -0.005(3) -0.016(3) -0.008(3)
C15 0.062(5) 0.087(5) 0.055(4) -0.016(4) -0.014(4) 0.013(4)
C7 0.042(4) 0.045(3) 0.039(3) -0.005(3) -0.016(3) -0.003(3)
C28 0.026(3) 0.058(4) 0.039(3) -0.008(3) -0.007(2) 0.002(3)
C29 0.027(4) 0.081(5) 0.055(4) -0.009(3) -0.008(3) 0.002(3)
C23 0.027(3) 0.040(3) 0.039(3) -0.010(2) -0.003(2) -0.002(2)
C33 0.102(7) 0.085(5) 0.049(4) -0.024(4) -0.003(4) 0.007(5)
C16 0.043(4) 0.069(4) 0.035(3) -0.004(3) -0.006(3) -0.016(3)
C27 0.026(3) 0.054(3) 0.042(3) -0.010(3) -0.010(2) 0.001(3)
C20 0.027(3) 0.039(3) 0.034(3) -0.009(2) 0.000(2) 0.001(2)
C2 0.045(4) 0.053(4) 0.052(4) -0.005(3) -0.010(3) -0.007(3)
C9 0.041(4) 0.079(4) 0.037(3) -0.009(3) 0.001(3) -0.018(3)
C1 0.040(4) 0.037(3) 0.047(4) 0.000(3) -0.013(3) -0.002(3)
C31 0.043(4) 0.092(5) 0.082(5) -0.037(4) -0.027(4) 0.007(4)
C32 0.048(4) 0.074(4) 0.040(4) -0.019(3) -0.001(3) 0.012(3)
C30 0.053(5) 0.091(5) 0.069(5) 0.027(4) -0.021(4) -0.006(4)
C21 0.031(3) 0.051(3) 0.032(3) -0.001(2) -0.001(2) -0.001(3)
C25 0.036(4) 0.055(3) 0.037(3) -0.010(3) -0.001(3) -0.003(3)
C26 0.024(3) 0.062(4) 0.050(4) -0.019(3) 0.002(3) 0.006(3)
C24 0.027(3) 0.057(4) 0.042(3) -0.013(3) -0.009(2) 0.007(3)
C4 0.038(4) 0.052(4) 0.086(6) 0.001(4) -0.015(4) -0.004(3)
C3 0.043(4) 0.049(4) 0.079(5) -0.015(3) 0.004(4) 0.007(3)
C36 0.075(6) 0.136(7) 0.037(4) -0.024(4) -0.014(4) 0.015(5)
C34 0.059(5) 0.119(6) 0.051(4) -0.016(4) 0.011(4) -0.006(5)
C14 0.066(6) 0.138(8) 0.063(5) -0.032(5) 0.011(4) 0.002(5)
C13 0.071(7) 0.186(10) 0.062(6) -0.032(6) 0.031(5) -0.015(7)
C12 0.087(8) 0.341(18) 0.032(5) -0.031(7) -0.008(5) 0.037(10)
C10 0.056(6) 0.268(13) 0.040(5) -0.016(6) -0.008(4) 0.024(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
Pt1 N1 2.062(4) . ?
Pt1 N2 2.074(4) . ?
Pt1 C17 1.944(6) . ?
Pt1 C8 1.964(6) . ?
C18 N1 1.346(6) . ?
C18 C19 1.380(8) . ?
N1 C22 1.366(6) . ?
N2 C23 1.349(7) . ?
N2 C27 1.345(7) . ?
C17 C16 1.203(8) . ?
C8 C7 1.206(8) . ?
C5 C6 1.386(9) . ?
C5 C4 1.378(9) . ?
C22 C23 1.484(7) . ?
C22 C21 1.367(7) . ?
C19 C20 1.377(7) . ?
C6 C1 1.387(8) . ?
C15 C9 1.397(9) . ?
C15 C14 1.359(9) . ?
C7 C1 1.437(8) . ?
C28 C29 1.539(7) . ?
C28 C20 1.527(7) . ?
C28 C31 1.512(8) . ?
C28 C30 1.519(8) . ?
C23 C24 1.392(7) . ?
C33 C32 1.504(9) . ?
C16 C9 1.457(8) . ?
C27 C26 1.361(7) . ?
C20 C21 1.372(7) . ?
C2 C1 1.388(8) . ?
C2 C3 1.378(9) . ?
C9 C10 1.366(9) . ?
C32 C25 1.505(8) . ?
C32 C36 1.527(9) . ?
C32 C34 1.556(9) . ?
C25 C26 1.387(8) . ?
C25 C24 1.383(7) . ?
C4 C3 1.333(9) . ?
C14 C13 1.323(12) . ?
C13 C12 1.357(12) . ?
C12 C10 1.400(11) . ?
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 N2 79.26(16) . . ?
C17 Pt1 N1 94.6(2) . . ?
C17 Pt1 N2 173.17(19) . . ?
C17 Pt1 C8 91.9(2) . . ?
C8 Pt1 N1 173.38(19) . . ?
C8 Pt1 N2 94.3(2) . . ?
N1 C18 C19 122.4(5) . . ?
C18 N1 Pt1 127.2(4) . . ?
C18 N1 C22 117.3(4) . . ?
C22 N1 Pt1 115.6(3) . . ?
C23 N2 Pt1 114.8(4) . . ?
C27 N2 Pt1 126.3(4) . . ?
C27 N2 C23 118.7(5) . . ?
C16 C17 Pt1 171.3(5) . . ?
C7 C8 Pt1 174.6(5) . . ?
C4 C5 C6 119.5(6) . . ?
N1 C22 C23 114.3(4) . . ?
N1 C22 C21 121.1(5) . . ?
C21 C22 C23 124.6(5) . . ?
C20 C19 C18 120.9(5) . . ?
C5 C6 C1 121.5(6) . . ?
C14 C15 C9 119.3(7) . . ?
C8 C7 C1 174.1(6) . . ?
C20 C28 C29 112.7(5) . . ?
C31 C28 C29 108.1(5) . . ?
C31 C28 C20 109.9(5) . . ?
C31 C28 C30 109.4(5) . . ?
C30 C28 C29 108.7(5) . . ?
C30 C28 C20 107.9(5) . . ?
N2 C23 C22 116.0(5) . . ?
N2 C23 C24 120.5(5) . . ?
C24 C23 C22 123.5(5) . . ?
C17 C16 C9 176.8(7) . . ?
N2 C27 C26 121.5(5) . . ?
C19 C20 C28 122.5(5) . . ?
C21 C20 C19 116.0(5) . . ?
C21 C20 C28 121.4(5) . . ?
C3 C2 C1 122.4(6) . . ?
C15 C9 C16 120.0(6) . . ?
C10 C9 C15 118.1(6) . . ?
C10 C9 C16 121.9(7) . . ?
C6 C1 C7 123.2(6) . . ?
C6 C1 C2 116.1(6) . . ?
C2 C1 C7 120.7(5) . . ?
C33 C32 C25 111.0(5) . . ?
C33 C32 C36 109.6(6) . . ?
C33 C32 C34 108.6(6) . . ?
C25 C32 C36 111.2(5) . . ?
C25 C32 C34 109.0(5) . . ?
C36 C32 C34 107.3(6) . . ?
C22 C21 C20 122.4(5) . . ?
C26 C25 C32 121.2(5) . . ?
C24 C25 C32 123.8(6) . . ?
C24 C25 C26 114.9(5) . . ?
C27 C26 C25 122.4(5) . . ?
C25 C24 C23 122.0(5) . . ?
C3 C4 C5 120.6(7) . . ?
C4 C3 C2 120.0(7) . . ?
C13 C14 C15 123.0(9) . . ?
C14 C13 C12 119.5(8) . . ?
C13 C12 C10 119.8(8) . . ?
C9 C10 C12 120.3(8) . . ?