A multifunction photochromic metal-organic framework with Lewis acid sites for selective amines and anion sensing
Liu, Jian-Jun; Que, Qi-Tao; Liu, Dan; Suo, Hongbo; Liu, Jiaming; Xia, Shu-Biao; CrystEngComm  (2020) –; doi:10.1039/D0CE00560F

data_7240537
_publ_section_title
;
 A multifunction photochromic metal-organic framework with Lewis acid
 sites for selective amines and anion sensing
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00560F
_journal_year                    2020
_chemical_formula_moiety         'C36 H30 Eu N4 O12, Cl'
_chemical_formula_sum            'C36 H30 Cl Eu N4 O12'
_chemical_formula_weight         898.05
_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
;
2020-04-01 deposited with the CCDC.	2020-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                95.8520(10)
_cell_angle_beta                 106.5110(10)
_cell_angle_gamma                107.9380(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6088(7)
_cell_length_b                   14.6537(11)
_cell_length_c                   16.9619(14)
_cell_measurement_reflns_used    12867
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.560
_cell_measurement_theta_min      2.363
_cell_volume                     2131.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.941
_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  0.0214
_diffrn_reflns_av_unetI/netI     0.0498
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12867
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.560
_diffrn_reflns_theta_min         2.363
_exptl_absorpt_coefficient_mu    1.594
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_description       block
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.796
_refine_diff_density_min         -2.295
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     511
_refine_ls_number_reflns         9270
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0705P)^2^+1.4465P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1129
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8142
_reflns_number_total             9270
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ce00560f2.cif
_cod_data_source_block           Complex1
_cod_database_code               7240537
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              57407
_shelx_fab_checksum              7058