Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.
Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang; ACS applied materials & interfaces 10 (2018) 3801–3809; doi:10.1021/acsami.7b17762

data_4514371
_publ_section_title
;
 Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for
 Aqueous Sensing of Metal Ions.
;
_journal_issue                   4
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              3801
_journal_page_last               3809
_journal_paper_doi               10.1021/acsami.7b17762
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C36 H36 N2 O8'
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 103.081(5)
_cell_angle_gamma                100.918(6)
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_cell_length_b                   8.510(4)
_cell_length_c                   13.655(7)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.200
_cell_measurement_theta_min      2.442
_cell_volume                     830.7(7)
_computing_cell_refinement       'Bruker SMART'
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_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
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_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0530
_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.888
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_diffrn_reflns_theta_min         1.534
_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism-like
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         3125
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.1220
_refine_ls_R_factor_gt           0.0657
_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^)+(0.1023P)^2^+0.0118P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1844
_refine_ls_wR_factor_ref         0.2167
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1669
_reflns_number_total             3125
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am7b17762_si_004.cif
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_cod_depositor_comments
'Adding full bibliography for 4514370--4514372.cif.'
_cod_original_cell_volume        830.8(7)
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_shelx_res_checksum              50327
_shelx_hkl_checksum              57680