Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents
Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida; Inorganic Chemistry 43 (2004) 6139–6141; doi:10.1021/ic0496166

data_4311696
_publ_section_title
;
 Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible
 Transformations of Nano- and Nonporous Coordination Frameworks Responding
 to Present Solvents
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6139
_journal_page_last               6141
_journal_paper_doi               10.1021/ic0496166
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C14 H10 O6 Zn '
_chemical_formula_sum            'C14 H10 O6 Zn'
_chemical_formula_weight         339.61
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.572(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.391(6)
_cell_length_b                   6.273(5)
_cell_length_c                   14.256(11)
_cell_measurement_reflns_used    2668
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      15.5
_cell_measurement_theta_min      1.4
_cell_volume                     642.5(9)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9096
_diffrn_measured_fraction_theta_max 0.9096
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5391
_diffrn_reflns_theta_full        31.20
_diffrn_reflns_theta_max         31.20
_exptl_absorpt_coefficient_mu    1.937
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.632
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1660
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0650
_reflns_number_gt                1656
_reflns_number_total             1895
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0496166si20040528_115802.cif
_cod_data_source_block           '__Zn(oba)(H2O)'
_cod_original_cell_volume        642.5(8)
_cod_original_formula_sum        'C14 H10 O6 Zn '
_cod_database_code               4311696