Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear Complexes with Pt...Pt Interactions
Kazuko Matsumoto; Saiko Arai; Masahiko Ochiai; Wanzhi Chen; Ayako Nakata; Hiromi Nakai; Shuhei Kinoshita; Inorganic Chemistry 44 (2005) 8552–8560; doi:10.1021/ic050942a

data_4309971
_publ_contact_author             'Kazuko Matsumoto'
_publ_contact_author_email       kmatsu@waseda.jp
_publ_section_title
;
Synthesis of the Pivalamidate-Bridged Pentanuclear Platinum(II,III) Linear
Complexes with Pt...Pt Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8552
_journal_page_last               8560
_journal_paper_doi               10.1021/ic050942a
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C26 H62 Br4 Cl4 N8 O6 Pt5,2(C3 H6 O1)'
_chemical_formula_sum            'C32 H74 Br4 Cl4 N8 O8 Pt5'
_chemical_formula_weight         2135.88
_chemical_name_common            1c
_chemical_name_systematic
; 
tetrakis(\m~2~-Pivalamidato)-tetraammine-tetrabromo-tetrachloro-pentaplatinum
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.607(9)
_cell_length_b                   15.454(6)
_cell_length_c                   15.572(6)
_cell_measurement_reflns_used    989
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.7795
_cell_measurement_theta_min      3.3655
_cell_volume                     5922(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker P4'
_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  0.1106
_diffrn_reflns_av_sigmaI/netI    0.1405
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35226
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.32
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_time  1129
_diffrn_standards_number         322
_exptl_absorpt_coefficient_mu    14.694
_exptl_absorpt_correction_T_max  0.6669
_exptl_absorpt_correction_T_min  0.0296
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.81
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.728
_refine_diff_density_min         -1.700
_refine_diff_density_rms         0.238
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     572
_refine_ls_number_reflns         11034
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0870
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          1.417
_refine_ls_shift/su_mean         0.060
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1189
_refine_ls_wR_factor_ref         0.1450
_reflns_number_gt                7815
_reflns_number_total             11034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050942asi20050609_113245.cif
_cod_data_source_block           sai0725
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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_database_code               4309971