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_4108141
_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) '
_chemical_formula_sum            'C10 H10 Cl14 Mo6 N2 O2'
_chemical_formula_weight         1262.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2008-02-29
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.7019(11)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   8.9148(4)
_cell_length_b                   9.6561(5)
_cell_length_c                   17.6885(7)
_cell_measurement_reflns_used    13347
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1517.54(12)
_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    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14614
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    3.653
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.598
_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    2.762
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1180.0
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.25
_refine_diff_density_min         -0.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     159
_refine_ls_number_reflns         3068
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0519
_reflns_number_gt                3060
_reflns_number_total             3443
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja802752y-file003.cif
_cod_data_source_block           '_071214'
_cod_original_formula_sum        'C10 H10 Cl14 Mo6 N2 O2 '
_cod_database_code               4108141