A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate
Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang; CrystEngComm 23 (2021) 7628–7634; doi:10.1039/D1CE00935D

data_7243751
_publ_section_title
;
 A water-stable photochromic MOF with controllable iodine sorption and
 efficient removal of dichromate
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              7628
_journal_page_last               7634
_journal_paper_doi               10.1039/D1CE00935D
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C26 H14 La N2.30 O10.90'
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-06-12 deposited with the CCDC.	2021-09-24 downloaded from the CCDC.
;
_cell_angle_alpha                92.007(6)
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_cell_angle_gamma                101.086(7)
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_cell_volume                     1541.7(2)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.960
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_diffrn_reflns_theta_max         25.021
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_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
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_refine_diff_density_max         1.660
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0649P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1274
_refine_ls_wR_factor_ref         0.1306
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4381
_reflns_number_total             5227
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00935d2.cif
_cod_data_source_block           1-NO3
_cod_depositor_comments          'Adding full bibliography for 7243751.cif.'
_cod_original_formula_sum        'C26 H14 La N2.30 O10.90'
_cod_database_code               7243751
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              79304
_shelx_hkl_checksum              89058
_shelx_fab_checksum              42437