Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework
Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li; Chem.Commun. 51 (2015) 3045–; doi:10.1039/C4cc07642G

data_7116495
_publ_section_title
;
 Achieving exceptionally high luminescence quantum efficiency by
 immobilizing an AIE molecular chromophore into a metal-organic framework
;
_journal_name_full               Chem.Commun.
_journal_page_first              3045
_journal_paper_doi               10.1039/C4cc07642G
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C54 H32 O8 Zn2'
_chemical_formula_sum            'C54 H32 O8 Zn2'
_chemical_formula_weight         939.53
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-05-23 deposited with the CCDC.
2014-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_min      2.98
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXT (beta version)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II CCD diffractometer'
_diffrn_measurement_method       '\w/\q scans'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_limit_h_max       43
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_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_number            76786
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        27.706
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_diffrn_reflns_theta_min         2.806
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    0.947
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_exptl_absorpt_correction_T_min  0.444
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       needle
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_exptl_crystal_size_min          0.050
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_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1126
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1339P)^2^+88.0993P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                8190
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc07642g2.cif
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_cod_database_code               7116495
_shelx_estimated_absorpt_t_min   0.649
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_shelx_res_checksum              93515
_shelx_fab_checksum              62199