Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and Magnetic Properties
Tapas Kumar Maji; Masaaki Ohba; Susumu Kitagawa; Inorganic Chemistry 44 (2005) 9225–9231; doi:10.1021/ic050835g

data_4310158
_publ_section_title
;
Transformation from a 2D Stacked Layer to 3D Interpenetrated Framework by
Changing the Spacer Functionality: Synthesis, Structure, Adsorption, and
Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9225
_journal_page_last               9231
_journal_paper_doi               10.1021/ic050835g
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C22 H18 Cu N2 O6 '
_chemical_formula_sum            'C22 H18 Cu N2 O6'
_chemical_formula_weight         469.94
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.30(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.028(19)
_cell_length_b                   11.16(3)
_cell_length_c                   7.678(13)
_cell_measurement_reflns_used    71
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      2.6
_cell_volume                     920(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9966
_diffrn_measured_fraction_theta_max 0.9966
_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  0.047
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9773
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_exptl_absorpt_coefficient_mu    1.235
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   REQABA
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.696
_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          0.100
_refine_diff_density_max         1.49
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     152
_refine_ls_number_reflns         1974
_refine_ls_R_factor_gt           0.0751
_refine_ls_shift/su_max          0.0043
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00360|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1226
_reflns_number_gt                1416
_reflns_number_total             2027
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic050835gsi20050907_091252_1.cif
_cod_data_source_block           '_Cu_a'
_cod_original_cell_volume        919.9(3)
_cod_original_formula_sum        'C22 H18 Cu N2 O6 '
_cod_database_code               4310158