Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and Reversible Iodine Uptake of Three Coordination Polymers Constructed by a New Resorcin[4]arene-Based Tetracarboxylate.
Lv, Li Li; Yang, Jin; Zhang, Hong-Mei; Liu, Ying-Ying; Ma, Jian-Fang; Inorganic chemistry 54 (2015) 1744–1755; doi:10.1021/ic502686b

data_4342077
_publ_section_title
;
 Metal-Ion Exchange, Small-Molecule Sensing, Selective Dye Adsorption, and
 Reversible Iodine Uptake of Three Coordination Polymers Constructed by a
 New Resorcin[4]arene-Based Tetracarboxylate.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1744
_journal_page_last               1755
_journal_paper_doi               10.1021/ic502686b
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C89 H120 Cd N2 O21'
_chemical_formula_sum            'C89 H120 Cd N2 O21'
_chemical_formula_weight         1666.27
_chemical_name_systematic
;
 ?
;
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_beta                 106.730(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   23.617(5)
_cell_length_b                   16.814(5)
_cell_length_c                   26.617(5)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.1944
_cell_measurement_theta_min      2.9666
_cell_volume                     10122(4)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
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_diffrn_reflns_limit_h_min       -28
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
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_exptl_absorpt_coefficient_mu    0.277
_exptl_absorpt_correction_T_max  0.9597
_exptl_absorpt_correction_T_min  0.9216
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3536
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.899
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_refine_ls_number_reflns         17686
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_refine_ls_R_factor_all          0.2021
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1137P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2079
_refine_ls_wR_factor_ref         0.2511
_reflns_number_gt                6238
_reflns_number_total             17686
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic502686b_si_002.cif
_cod_data_source_block           compound-2
_cod_depositor_comments
'Adding full bibliography for 4342076--4342078.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4342077