A stable luminescent zinc‒organic framework as a dual-sensor toward Cu2+ and Cr2O72−, and excellent platform-encapsulated Ln3+ for systematic color tuning and white-light emission
Qin, Bo-Wen; Zhang, Xiao-Ying; Zhang, Jing-Ping; New Journal of Chemistry 43 (2019) 13794–; doi:10.1039/C9NJ02861G

data_7058679
_publ_section_title
;
 A stable luminescent zinc--organic framework as a dual-sensor toward Cu2+
 and Cr2O72&#x2212;, and excellent platform-encapsulated Ln3+ for
 systematic color tuning and white-light emission
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13794
_journal_paper_doi               10.1039/C9NJ02861G
_journal_volume                  43
_journal_year                    2019
_chemical_formula_sum            'C108 H72 N18 O30 Zn6'
_chemical_formula_weight         2494.18
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-08 deposited with the CCDC.    2019-07-29 downloaded from the CCDC.
;
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   38.789
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_cell_measurement_theta_max      23.3540
_cell_measurement_theta_min      3.3190
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_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction,2006)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford diffraction Gemini R Ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0516
_diffrn_reflns_av_unetI/netI     0.0909
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_h_min       -35
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_diffrn_reflns_limit_k_min       -32
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_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            45496
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.716
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.990
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       octahedron
_exptl_crystal_F_000             20256.0
_exptl_crystal_size_max          0.6
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_exptl_crystal_size_min          0.25
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.400(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         24493
_refine_ls_number_restraints     1457
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0648
_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^)+(0.1091P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.1865
_reflns_Friedel_coverage         0.969
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                17360
_reflns_number_total             29500
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02861g2.cif
_cod_data_source_block           jt_sq_d
_cod_depositor_comments          'Adding full bibliography for 7058679.cif.'
_cod_original_cell_volume        66953.6
_cod_database_code               7058679
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              8295