Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies
Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro; CrystEngComm 25 (2023) 3766–3776; doi:10.1039/D3CE00434A

data_7247303
_publ_section_title
;
 Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF
 in aqueous media: structural and spectroscopic studies
;
_journal_issue                   26
_journal_name_full               CrystEngComm
_journal_page_first              3766
_journal_page_last               3776
_journal_paper_doi               10.1039/D3CE00434A
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C28 H24 O14 Zn3, 0.6(C2 H6 O)'
_chemical_formula_sum            'C29.2 H27.6 O14.6 Zn3'
_chemical_formula_weight         808.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-02-14 deposited with the CCDC.	2023-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.3899(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1166(14)
_cell_length_b                   10.6178(7)
_cell_length_c                   16.0756(11)
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.39
_cell_volume                     3258.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34640
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.443
_diffrn_reflns_theta_min         2.134
_diffrn_source                   'Incoatec ImuS'
_exptl_absorpt_coefficient_mu    2.260
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Sheldrick'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1638
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.096
_refine_diff_density_max         2.250
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         3718
_refine_ls_number_restraints     361
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0659P)^2^+16.8498P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1230
_refine_ls_wR_factor_ref         0.1257
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3404
_reflns_number_total             3718
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce00434a2.cif
_cod_data_source_block           mo_239DGA15_0m
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C29.20 H27.60 O14.60 Zn3'
_cod_database_code               7247303
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.570
_shelx_estimated_absorpt_t_max   0.812
_shelx_res_checksum              81897
_shelx_hkl_checksum              45042