A ratiometric and colorimetric luminescent thermometer over a wide temperature range based on a lanthanide coordination polymer
Yuanjing Cui; Wenfeng Zou; Ruijing Song; Jiancan Yu; Wenqian Zhang; Yu Yang; Guodong Qian; Chem.Commun. 50 (2014) 719–; doi:10.1039/c3cc47225f

data_7110233
_publ_section_title
;
 A ratiometric and colorimetric luminescent thermometer over a wide
 temperature range based on a lanthanide coordination polymer
;
_journal_name_full               Chem.Commun.
_journal_page_first              719
_journal_paper_doi               10.1039/c3cc47225f
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C28 H12 N2 O13 Tb, H2O'
_chemical_formula_sum            'C28 H14 N2 O14 Tb'
_chemical_formula_weight         761.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.585(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.2870(14)
_cell_length_b                   6.8971(3)
_cell_length_c                   30.2116(14)
_cell_measurement_reflns_used    9532
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.73
_cell_volume                     5811.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0114
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6647
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    2.508
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'colourless '
_exptl_crystal_density_diffrn    1.740
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             5742
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         3.091
_refine_diff_density_min         -2.499
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6647
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0562
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0433P)^2^+230.4112P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1672
_reflns_number_gt                6285
_reflns_number_total             6647
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc47225f.txt
_cod_data_source_block           zwf
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7110233