Reversible Emergence of a Self-Assembled Layered Structure From Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols
Kei Inumaru; Takashi Kikudome; Hiroshi Fukuoka; Shoji Yamanaka; Journal of the American Chemical Society 130 (2008) 10038–10039; doi:10.1021/ja802752y

data_4108140
_publ_contact_author_email       inumaru*atmark*hiroshima-u.ac.jp
_publ_contact_author_fax         +81-82-424-5494
_publ_contact_author_name        'Kei Inumaru'
_publ_section_title
;
 Reversible Emergence of a Self-Assembled Layered Structure From
 Three-Dimensional Isotropic Ionic Crystal of a Cluster Compound
 (4-HNC5H4OH)2Mo6Cl14 Driven By Absorption of Water and Alcohols
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10038
_journal_page_last               10039
_journal_paper_doi               10.1021/ja802752y
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'Cl14 Mo6, 2(C5 H5 N O), 6(O)'
_chemical_formula_sum            'C10 H10 Cl14 Mo6 N2 O8'
_chemical_formula_weight         1358.14
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_audit_creation_date             2008-02-06
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.1972(4)
_cell_length_b                   9.7664(3)
_cell_length_c                   20.8704(5)
_cell_measurement_reflns_used    54341
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.5
_cell_volume                     3505.28(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            30534
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.185
_exptl_absorpt_correction_T_max  0.729
_exptl_absorpt_correction_T_min  0.373
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    2.574
_exptl_crystal_description       unknown
_exptl_crystal_F_000             2552.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.96
_refine_diff_density_min         -1.81
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.704
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     341
_refine_ls_number_reflns         6255
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0480
_reflns_number_gt                6229
_reflns_number_total             8008
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja802752y-file002.cif
_cod_data_source_block           '_061115___________________'
_cod_database_code               4108140