Chromophore-immobilized luminescent metal-organic frameworks as potential lighting phosphors and chemical sensors.
Wang, Fangming; Liu, Wei; Teat, Simon J.; Xu, Feng; Wang, Hao; Wang, Xinlong; An, Litao; Li, Jing; Chemical communications (Cambridge, England) 52 (2016) 10249–10252; doi:10.1039/c6cc05290h

data_7124878
_publ_section_title
;
 Chromophore-immobilized luminescent metal-organic frameworks as potential
 lighting phosphors and chemical sensors.
;
_journal_issue                   67
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10249
_journal_page_last               10252
_journal_paper_doi               10.1039/c6cc05290h
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C66 H38 F4 N2 O8 Zn2'
_chemical_formula_weight         1193.72
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'Intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-06-12 deposited with the CCDC.
2016-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                89.982(2)
_cell_angle_beta                 85.952(2)
_cell_angle_gamma                85.919(2)
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_cell_length_c                   20.0452(8)
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_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      30.739
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_cell_volume                     5473.6(4)
_computing_cell_refinement       'Bruker SAINT v8.34a'
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_computing_data_reduction        'Bruker SAINT v8.34a'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
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_diffrn_ambient_temperature      253(2)
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       '\w/\q shutterless scans'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_Laue_measured_fraction_max 0.995
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_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_min         2.191
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    0.598
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_exptl_absorpt_correction_T_min  0.833
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 Bruker AXS Madison WI USA'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.724
_exptl_crystal_description       block
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_exptl_crystal_size_min          0.080
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_refine_diff_density_rms         0.071
_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_number_reflns         26224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1072P)^2^+2.9558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1846
_refine_ls_wR_factor_ref         0.1996
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18326
_reflns_number_total             26224
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc05290h2.cif
_cod_data_source_block           fw021104_a_sq
_cod_database_code               7124878
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.916
_shelx_estimated_absorpt_t_max   0.954
_shelx_res_checksum              16952
_shelx_fab_checksum              681