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_4311695
_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_sum            'C40 H44 N4 O14 Zn2'
_chemical_formula_weight         935.57
_space_group_IT_number           52
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.79(1)
_cell_length_b                   15.887(7)
_cell_length_c                   17.773(8)
_cell_measurement_reflns_used    20182
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.8
_cell_measurement_theta_min      1.4
_cell_volume                     6717(5)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9225
_diffrn_measured_fraction_theta_max 0.9225
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            63617
_diffrn_reflns_theta_full        31.73
_diffrn_reflns_theta_max         31.73
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  0.859
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.925
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.187
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     246
_refine_ls_number_reflns         2951
_refine_ls_R_factor_gt           0.0596
_refine_ls_shift/su_max          0.0047
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0633
_reflns_number_gt                2951
_reflns_number_total             10534
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0496166si20040528_115746.cif
_cod_data_source_block           '_Zn2(oba)2(dmf)2'
_cod_original_cell_volume        6716(4)
_cod_original_formula_sum        'C40 H44 N4 O14 Zn2 '
_cod_database_code               4311695