A water-stable terbium-MOF sensor for the selective, sensitive, and recyclable detection of Al<sup>3+</sup> and CO<sub>3</sub><sup>2-</sup> ions.
Zhan, Zhiying; Jia, Yuejiao; Li, Donghua; Zhang, Xiaolei; Hu, Ming; Dalton transactions (Cambridge, England : 2003) 48 (2019) 15255–15262; doi:10.1039/c9dt03318a

data_7701233
_publ_section_title
;
 A water-stable terbium-MOF sensor for the selective, sensitive, and
 recyclable detection of Al<sup>3+</sup> and CO<sub>3</sub><sup>2-</sup>
 ions.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15255
_journal_page_last               15262
_journal_paper_doi               10.1039/c9dt03318a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C14 H11 N O9 Tb'
_chemical_formula_weight         496.16
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-12-29 deposited with the CCDC.    2019-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                107.510(6)
_cell_angle_beta                 90.986(5)
_cell_angle_gamma                106.051(7)
_cell_formula_units_Z            2
_cell_length_a                   6.0410(4)
_cell_length_b                   10.1090(8)
_cell_length_c                   15.3272(9)
_cell_measurement_reflns_used    2778
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2620
_cell_measurement_theta_min      4.7880
_cell_volume                     852.68(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_sigmaI/netI    0.0741
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5016
_diffrn_reflns_theta_full        67.22
_diffrn_reflns_theta_max         67.22
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    20.846
_exptl_absorpt_correction_T_max  0.3232
_exptl_absorpt_correction_T_min  0.2863
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             478
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         3.208
_refine_diff_density_min         -1.361
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3056
_refine_ls_number_restraints     1032
_refine_ls_restrained_S_all      0.944
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0939P)^2^+1.0636P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1465
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                2721
_reflns_number_total             3056
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt03318a2.cif
_cod_data_source_block           exp_7192
_cod_depositor_comments          'Adding full bibliography for 7701233.cif.'
_cod_original_cell_volume        852.67(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7701233