Highly Selective and Sensitive Fluorescent Sensor Based on Tb3+ Functionalized MOFs to Determinate Arginine in Urine: A Potential Application for Diagnosis of Cystinuria
Cui, Ruixue; Wan, Yongyan; Ji, Guanfeng; Liu, Zhiliang; The Analyst  (2019) –; doi:10.1039/C9AN01204D

data_1552262
_publ_section_title
;
 Highly Selective and Sensitive Fluorescent Sensor Based on Tb3+
 Functionalized MOFs to Determinate Arginine in Urine: A Potential
 Application for Diagnosis of Cystinuria
;
_journal_name_full               'The Analyst'
_journal_paper_doi               10.1039/C9AN01204D
_journal_year                    2019
_chemical_formula_sum            'C54 H25 Cd4 N9 O25'
_chemical_formula_weight         1649.43
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-06 deposited with the CCDC.    2019-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1853(7)
_cell_length_b                   12.0295(6)
_cell_length_c                   28.4889(8)
_cell_measurement_reflns_used    6695
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.1880
_cell_measurement_theta_min      3.1080
_cell_volume                     6917.6(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0928
_diffrn_reflns_av_sigmaI/netI    0.1025
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            38515
_diffrn_reflns_theta_full        67.25
_diffrn_reflns_theta_max         67.25
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    10.410
_exptl_absorpt_correction_T_max  0.5294
_exptl_absorpt_correction_T_min  0.4897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.104
_refine_diff_density_min         -0.731
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.419(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     829
_refine_ls_number_reflns         11273
_refine_ls_number_restraints     2323
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0815P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1621
_reflns_number_gt                8691
_reflns_number_total             11273
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9an01204d2.cif
_cod_data_source_block           exp_6446
_cod_database_code               1552262
_platon_squeeze_void_probe_radius 1.20