Dual-responsive luminescent sensors based on two Cd-MOFs: rare enhancement toward acac and quenching toward Cr2O72-
Yu, Yu'e; Wang, Yuhao; Xu, Hai-Jun; Lu, Jing; Wang, Huaiwei; Li, Dacheng; Dou, Jianmin; Li, Yun-Wu; Wang, Suna; CrystEngComm  (2020) –; doi:10.1039/D0CE00405G

data_7240397
_publ_section_title
;
 Dual-responsive luminescent sensors based on two Cd-MOFs: rare
 enhancement toward acac and quenching toward Cr2O72-
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00405G
_journal_year                    2020
_chemical_formula_sum            'C31 H34 Cd N4 O9'
_chemical_formula_weight         719.02
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-10 deposited with the CCDC.	2020-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                101.026(2)
_cell_angle_beta                 95.9220(10)
_cell_angle_gamma                96.6150(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3690(9)
_cell_length_b                   10.4966(9)
_cell_length_c                   15.0556(13)
_cell_measurement_reflns_used    3039
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.077
_cell_measurement_theta_min      2.7795
_cell_volume                     1584.5(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8014
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.016
_diffrn_reflns_theta_max         25.016
_diffrn_reflns_theta_min         2.619
_exptl_absorpt_coefficient_mu    0.748
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_description       crystal
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_refine_diff_density_max         1.448
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         5496
_refine_ls_number_restraints     960
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0523
_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^)+(0.0916P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1452
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4328
_reflns_number_total             5496
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce00405g2.cif
_cod_data_source_block           181016c
_cod_database_code               7240397
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.916
_shelx_estimated_absorpt_t_max   0.922
_shelx_res_checksum              58098