Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl Platinum(II) Complexes
Amijs, Catelijne H. M.; van Klink, Gerard P. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Organometallics 24 (2005) 2944–; doi:10.1021/om050144s

data_4075829
_publ_section_title
;
 Functionalized Homolepticcis- andtrans-C,N-ortho-Chelated Aminoaryl
 Platinum(II) Complexes
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2944
_journal_paper_doi               10.1021/om050144s
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C50 H70 Cl2 N2 Pd2 Pt S4, 2(C H2 Cl2)'
_chemical_formula_sum            'C52 H74 Cl6 N2 Pd2 Pt S4'
_chemical_formula_weight         1475.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.1892(7)
_cell_angle_beta                 79.8100(8)
_cell_angle_gamma                82.8972(4)
_cell_formula_units_Z            2
_cell_length_a                   11.0727(1)
_cell_length_b                   17.2827(2)
_cell_length_c                   18.1957(2)
_cell_measurement_reflns_used    101991
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     3397.27(6)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL2000, SortAV, SQUEEZE'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF-99 (Beurskens et al., 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            65488
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    2.967
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.906
_refine_diff_density_min         -1.635
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     620
_refine_ls_number_reflns         15545
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0612P)^2^+2.1800P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1104
_reflns_number_gt                12587
_reflns_number_total             15545
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om050144ssi20050406_014734.cif
_cod_data_source_block           s3327a
_cod_database_code               4075829