1,4-Dihydro-1,4-diarsinine-Bridged Dinucleartrans-Dihaloplatinum(II) Complexes: Synthesis and Controlled Pt−Pt Interaction by Halogen Substitution Induced Conformational Change§
Arita, Manabu; Naka, Kensuke; Shimamoto, Tatsuo; Yumura, Takashi; Nakahashi, Akiko; Morisaki, Yasuhiro; Chujo, Yoshiki; Organometallics 29 (2010) 4992–; doi:10.1021/om100201x

data_4065930
_publ_section_title
;
 1,4-Dihydro-1,4-diarsinine-Bridged Dinucleartrans-Dihaloplatinum(II)
 Complexes: Synthesis and Controlled Pt&#x2212;Pt Interaction by Halogen
 Substitution Induced Conformational Change&#x00A7;
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              4992
_journal_paper_doi               10.1021/om100201x
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C52 H84 As4 I4 O16 Pt2'
_chemical_formula_weight         2162.65
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.33(5)
_cell_angle_beta                 93.63(3)
_cell_angle_gamma                100.79(4)
_cell_formula_units_Z            1
_cell_length_a                   10.661(9)
_cell_length_b                   12.368(7)
_cell_length_c                   13.577(13)
_cell_measurement_temperature    110(2)
_cell_volume                     1737(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'Yadokari-XG (Wakita, 2000)'
_computing_molecular_graphics    'Yadokari-XG (Wakita, 2000)'
_computing_publication_material  'Yadokari-XG (Wakita, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Dirdif99.2(Beurskens et al., 1999)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_av_sigmaI/netI    0.1535
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16443
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    7.747
_exptl_absorpt_correction_T_max  0.5113
_exptl_absorpt_correction_T_min  0.5113
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_density_diffrn    2.067
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.242
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.817
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         7852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.817
_refine_ls_R_factor_all          0.1054
_refine_ls_R_factor_gt           0.0450
_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^)+(0.0149P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0659
_reflns_number_gt                4431
_reflns_number_total             7852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100201x_si_002.cif
_cod_data_source_block           trans-Pt2I4(cis-DHDAtBu)2
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      p_-1
_cod_database_code               4065930