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_4514370
_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            'C43 H35 N3 O7 Zn'
_chemical_formula_weight         771.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
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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
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                109.521(4)
_cell_angle_beta                 101.992(4)
_cell_angle_gamma                90.795(4)
_cell_formula_units_Z            2
_cell_length_a                   7.528(2)
_cell_length_b                   16.408(4)
_cell_length_c                   16.481(4)
_cell_measurement_reflns_used    1857
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.801
_cell_measurement_theta_min      2.118
_cell_volume                     1869.2(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.989
_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  0.0452
_diffrn_reflns_av_unetI/netI     0.0819
_diffrn_reflns_Laue_measured_fraction_full 0.963
_diffrn_reflns_Laue_measured_fraction_max 0.989
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_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.322
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_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelike
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_exptl_crystal_size_mid          0.060
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6502
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0546
_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^)+(0.0521P)^2^+0.1121P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1167
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3774
_reflns_number_total             6502
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4514370--4514372.cif.'
_cod_database_code               4514370
_shelx_estimated_absorpt_t_min   0.939
_shelx_estimated_absorpt_t_max   0.986
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_shelx_hkl_checksum              362