pH-Modulated luminescence switching in a Eu-MOF: rapid detection of acidic amino acids
Zhao, Yifang; Wan, Meng-Yan; Bai, Jian-Ping; Zeng, Heng; Lu, Weigang; Li, Dan; Journal of Materials Chemistry A 7 (2019) 11127–; doi:10.1039/C9TA00384C

data_7237634
_publ_section_title
;
 pH-Modulated luminescence switching in a Eu-MOF: rapid detection of
 acidic amino acids
;
_journal_issue                   18
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              11127
_journal_paper_doi               10.1039/C9TA00384C
_journal_volume                  7
_journal_year                    2019
_chemical_formula_sum            'C45 H39 Eu2 N3 O15'
_chemical_formula_weight         1165.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-01-06 deposited with the CCDC.	2019-04-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.5340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.93700(10)
_cell_length_b                   21.89300(10)
_cell_length_c                   16.57120(10)
_cell_measurement_reflns_used    15090
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      77.9640
_cell_measurement_theta_min      4.229
_cell_volume                     4257.68(5)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      149.99(10)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            31694
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.405
_diffrn_reflns_theta_min         3.381
_exptl_absorpt_coefficient_mu    21.528
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.45683
_exptl_absorpt_correction_type   ??multi-scan'
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ??colorless??
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_description       ??block-like??
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         8885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0561P)^2^+1.2207P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0932
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7963
_reflns_number_total             8885
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9ta00384c2.cif
_cod_data_source_block           Eu-MOF
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7237634
_shelx_shelxl_version_number     2018/3
_exptl_absorpt_special_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_shelx_res_checksum              68255