Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores.
Chen, Cheng-Xia; Qiu, Qian-Feng; Pan, Mei; Cao, Chen-Chen; Zhu, Neng-Xiu; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Su, Cheng-Yong; Chemical communications (Cambridge, England) 54 (2018) 13666–13669; doi:10.1039/c8cc07441k

data_7122473
_publ_section_title
;
 Tunability of fluorescent metal-organic frameworks through dynamic spacer
 installation with multivariate fluorophores.
;
_journal_issue                   97
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              13666
_journal_page_last               13669
_journal_paper_doi               10.1039/c8cc07441k
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C80 H32 F24 O34 Zr6'
_chemical_formula_sum            'C80 H32 F24 O34 Zr6'
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_space_group_crystal_system      tetragonal
_space_group_IT_number           131
_space_group_name_Hall           '-P 4c 2'
_space_group_name_H-M_alt        'P 42/m m c'
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-07-30 deposited with the CCDC.
2018-10-16 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
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_diffrn_reflns_number            16635
_diffrn_reflns_point_group_measured_fraction_full 0.983
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_diffrn_reflns_theta_full        65.254
_diffrn_reflns_theta_max         65.254
_diffrn_reflns_theta_min         3.481
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.422
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'Pale Yellow'
_exptl_crystal_density_diffrn    0.954
_exptl_crystal_description       Block
_exptl_crystal_F_000             2480
_refine_diff_density_max         2.003
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4091
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      65.308
_refine_ls_R_factor_all          0.1168
_refine_ls_R_factor_gt           0.0968
_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^)+(0.1563P)^2^+59.5166P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2707
_refine_ls_wR_factor_ref         0.2901
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3110
_reflns_number_total             4091
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc07441k2.cif
_cod_data_source_block           LIFM-51
_cod_depositor_comments
'Adding full bibliography for 7122472--7122473.cif.'
_cod_database_code               7122473
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              51467
_shelx_fab_checksum              92683