Synthesis, Characterization, and Electrochemical Relationships of Dinuclear Complexes of Platinum(II) and Platinum(III) Containing Ortho-Metalated Tertiary Arsine Ligands
Martin A. Bennett; Suresh K. Bhargava; Alan M. Bond; Alison J. Edwards; Si-Xuan Guo; Steven H. Privér; A. David Rae; Anthony C. Willis; Inorganic Chemistry 43 (2004) 7752–7763; doi:10.1021/ic0498790

data_4312125
_publ_contact_author_address
;
R.S.C., A.N.U.
;
_publ_contact_author_email       AJED@RSC.ANU.EDU.AU
_publ_contact_author_name        'Alison J. Edwards'
_publ_section_title
;
 Synthesis, Characterization, and Electrochemical Relationships of
 Dinuclear Complexes of Platinum(II) and Platinum(III) Containing
 Ortho-Metalated Tertiary Arsine Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7752
_journal_page_last               7763
_journal_paper_doi               10.1021/ic0498790
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source        'Local laboratory'
_chemical_formula_moiety         'C76 H64 As4 Cl2 Pt2, 4 C1 H2 Cl2 '
_chemical_formula_sum            'C80 H72 As4 Cl10 Pt2'
_chemical_formula_weight         2077.85
_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'
_audit_creation_date             01-27-11
_audit_creation_method           'maXus + CRYSTALS_ver_12-03-99'
_cell_angle_alpha                97.7853(9)
_cell_angle_beta                 98.1840(10)
_cell_angle_gamma                115.2438(9)
_cell_formula_units_Z            1
_cell_length_a                   12.5394(2)
_cell_length_b                   12.7062(2)
_cell_length_c                   13.5404(3)
_cell_measurement_reflns_used    41919
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     1884.53(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       ' COLLECT (Nonius BV, 1997) '
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
;
  CAMERON (Watkin et al 1996)
;
_computing_publication_material
;
  CRYSTALS (Watkin et al 2001) + maXus(Mackay et al., 1999)
;
_computing_structure_refinement
;
  CRYSTALS (Watkin et al 2001)
;
_computing_structure_solution
;
  SIR97 (Altomare et al, 1999)
;
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      -0.01586
_diffrn_orient_matrix_UB_12      0.05085
_diffrn_orient_matrix_UB_13      -0.07310
_diffrn_orient_matrix_UB_21      0.06877
_diffrn_orient_matrix_UB_22      0.04627
_diffrn_orient_matrix_UB_23      -0.03289
_diffrn_orient_matrix_UB_31      0.02423
_diffrn_orient_matrix_UB_32      -0.04446
_diffrn_orient_matrix_UB_33      -0.05731
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           ' MoK\a'
_diffrn_radiation_wavelength_id  all
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            48317
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    5.85
_exptl_absorpt_correction_T_max  0.759
_exptl_absorpt_correction_T_min  0.460
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.831
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1010
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.88
_refine_diff_density_min         -1.07
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0725
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4906
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.001054
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979,
0.248    0.113    0.348E-01
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0358
_reflns_d_resolution_high        0.62
_reflns_d_resolution_low         1.81
_reflns_limit_h_max              15
_reflns_limit_h_min              -16
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                4906
_reflns_number_total             8655
_reflns_threshold_expression     'I> 3.00 sigma(I)'
_cod_data_source_file            ic0498790si20040130_085008_3.cif
_cod_data_source_block           mbsp3z
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4312125