Syntheses and Structures of Bridge and Chelate Isomers of Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual Isomerization via Cluster Core Rotation
Tadashi Yamaguchi; Haruko Saito; Taro Maki; Tasuku Ito; Journal of the American Chemical Society 121 (1999) 10738–10742; doi:10.1021/ja990596u

data_4116601
_publ_contact_author_address
;
Department of Chemistry, Graduate School of Science,
Tohoku University,Sendai  980-8578, JAPAN
;
_publ_contact_author_email       ' Ito@agnus.chem.tohoku.ac.jp '
_publ_contact_author_fax         ' +81 22 217 6548 '
_publ_contact_author_name        ' Tasuku ITO '
_publ_contact_author_phone       ' +81 22 217 6544 '
_publ_section_title
;
 Syntheses and Structures of Bridge and Chelate Isomers of
 Tetraplatinum(II) Cluster Complex with Diethyldithiophosphate Ion
 (Et2dtp) at In-Plane Sites, [Pt4(CH3COO)4(Et2dtp)4], and Their Mutual
 Isomerization via Cluster Core Rotation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10738
_journal_page_last               10742
_journal_paper_doi               10.1021/ja990596u
_journal_volume                  121
_journal_year                    1999
_chemical_formula_sum            'C26.33 H53.33 Cl8 O28 P4 Pt4 S8'
_chemical_formula_weight         2262.34
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_audit_creation_date             'Sun Dec 27 16:14:19 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   26.388(4)
_cell_length_b                   26.388
_cell_length_c                   26.388
_cell_measurement_reflns_used    24
_cell_measurement_temperature    183.2
_cell_measurement_theta_max      11.4
_cell_measurement_theta_min      11.4
_cell_volume                     18375(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      183.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.01959
_diffrn_orient_matrix_UB_12      0.00502
_diffrn_orient_matrix_UB_13      -0.03205
_diffrn_orient_matrix_UB_21      -0.01868
_diffrn_orient_matrix_UB_22      -0.03236
_diffrn_orient_matrix_UB_23      0.00635
_diffrn_orient_matrix_UB_31      -0.02652
_diffrn_orient_matrix_UB_32      0.01908
_diffrn_orient_matrix_UB_33      0.01920
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.000
_diffrn_reflns_av_sigmaI/netI    0.149
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1776
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        -2.57
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    9.874
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.901
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    2.453
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             12855.72
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         1.08
_refine_diff_density_min         -1.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.269
_refine_ls_matrix_type           full
_refine_ls_number_constraints    3
_refine_ls_number_parameters     158
_refine_ls_number_reflns         1148
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          5.2045
_refine_ls_shift/su_mean         0.3622
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00006|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0444
_reflns_number_gt                1148
_reflns_number_total             1776
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja990596u_1.cif
_cod_data_source_block           '[Pt4(OAc)4(dtp)44]_fr.1(chelate)'
_cod_original_cell_volume        18374(1)
_cod_original_sg_symbol_H-M      'I -4 3 d '
_cod_original_formula_sum        'C26.33 H53.33 Cl8 O28 P4 Pt4 S8 '
_cod_database_code               4116601