Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range Ratiometric Thermometer with a Contrasting Temperature-Intensity Relationship.
Yao, Jin; Zhao, Yan-Wu; Zhang, Xian-Ming; ACS omega 3 (2018) 5754–5760; doi:10.1021/acsomega.8b00199

data_4515991
_publ_section_title
;
 Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range
 Ratiometric Thermometer with a Contrasting Temperature-Intensity
 Relationship.
;
_journal_issue                   5
_journal_name_full               'ACS omega'
_journal_page_first              5754
_journal_page_last               5760
_journal_paper_doi               10.1021/acsomega.8b00199
_journal_volume                  3
_journal_year                    2018
_chemical_formula_sum            'C48 H30 Eu2 N12 O12'
_chemical_formula_weight         1270.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 103.351(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.3277(14)
_cell_length_b                   21.7233(18)
_cell_length_c                   15.2203(5)
_cell_measurement_reflns_used    5256
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.7190
_cell_measurement_theta_min      3.6000
_cell_volume                     9434.7(10)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_unetI/netI     0.1388
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            44271
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.307
_exptl_absorpt_coefficient_mu    1.357
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95772
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.895
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_refine_diff_density_max         9.081
_refine_diff_density_min         -6.066
_refine_diff_density_rms         0.330
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         19245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.1917
_refine_ls_R_factor_gt           0.1499
_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^)+(0.1220P)^2^+533.7440P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3856
_refine_ls_wR_factor_ref         0.4087
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13077
_reflns_number_total             19245
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao8b00199_si_002.cif
_cod_data_source_block           yaojin-20180129
_cod_original_cell_volume        9434.6(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4515991
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.755
_shelx_estimated_absorpt_t_max   0.876
_shelx_res_checksum              91734
_shelx_hkl_checksum              3240
_platon_squeeze_void_probe_radius 1.20