Heteropolytopic Arsanylarylthiolato Ligands: Cis-Trans Isomerism of Nickel(II), Palladium(II), and Platinum(II) Complexes of 1-AsPh2-2-SHC6H4
Alexandra Hildebrand; Imola Sárosi; Peter Lönnecke; Luminiţa Silaghi-Dumitrescu; Menyhárt B. Sárosi; Ioan Silaghi-Dumitrescu; Evamarie Hey-Hawkins; Inorganic Chemistry 51 (2012) 7125–7133; doi:10.1021/ic300002p

data_4329596
_publ_section_title
;
 Heteropolytopic Arsanylarylthiolato Ligands: Cis-Trans Isomerism of
 Nickel(II), Palladium(II), and Platinum(II) Complexes of 1-AsPh2-2-SHC6H4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7125
_journal_page_last               7133
_journal_paper_doi               10.1021/ic300002p
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C56 H46 As3 Cl4 I3 Pt3 S3'
_chemical_formula_weight         2147.64
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.6350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.9880(18)
_cell_length_b                   11.4987(9)
_cell_length_c                   24.0999(19)
_cell_measurement_reflns_used    6739
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      29.03
_cell_measurement_theta_min      2.46
_cell_volume                     6135.5(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
_computing_publication_material  'WINGX  (L.J. Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick,1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      210(2)
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       '\W scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_av_sigmaI/netI    0.0577
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            57526
_diffrn_reflns_theta_full        29.45
_diffrn_reflns_theta_max         29.45
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    10.251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.325
_exptl_crystal_description       prism
_exptl_crystal_F_000             3960
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.289
_refine_diff_density_min         -1.233
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         15654
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0574
_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^)+(0.0404P)^2^+31.6542P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                12235
_reflns_number_total             15654
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic300002p_si_002.cif
_cod_data_source_block           c1771fin
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               4329596