Ratiometric dual-emitting MOF dye thermometers with a tunable operating range and sensitivity
Dian Zhao; Dan Yue; Ke Jiang; Yuanjing Cui; Qi Zhang; Yu Yang; Guodong Qian; Journal of Materials Chemistry C 5 (2017) 1607–1613; doi:10.1039/C6TC05203G

data_7235188
_publ_section_title
;
 Ratiometric dual-emitting MOF dye thermometers with a tunable operating
 range and sensitivity
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1607
_journal_page_last               1613
_journal_paper_doi               10.1039/C6TC05203G
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C11 H0 N2 O5 S Zn'
_chemical_formula_weight         337.56
_space_group_crystal_system      trigonal
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_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   19.1998(12)
_cell_length_b                   19.1998(12)
_cell_length_c                   37.747(2)
_cell_measurement_temperature    293(2)
_cell_volume                     12050.5(12)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2200
_diffrn_reflns_av_unetI/netI     0.0966
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            41575
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.262
_diffrn_reflns_theta_min         1.338
_exptl_absorpt_coefficient_mu    1.004
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_refine_diff_density_max         0.690
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_refine_ls_number_reflns         2910
_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0811
_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^)+(0.1802P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2273
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_cod_data_source_file            J-Mater-Chem-C-2017-5-1607.cif
_cod_data_source_block           zz_sq
_cod_original_cell_volume        12050.5(16)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               7235188
_shelxl_version_number           2014/6
_shelx_res_checksum              18802
_shelx_fab_checksum              18173