Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes
Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi; Chemical Communications  (2021) –; doi:10.1039/D1CC04567A

data_7129007
_publ_section_title
;
 Luminescence switch based on the acid/base induced reversibility of
 covalent bonds in lanthanide(III) complexes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC04567A
_journal_year                    2021
_chemical_formula_sum            'C33 H37 N10 O13 Tb'
_chemical_formula_weight         940.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-08-06 deposited with the CCDC.	2021-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                82.512(10)
_cell_angle_beta                 85.717(11)
_cell_angle_gamma                87.038(10)
_cell_formula_units_Z            2
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_cell_length_b                   12.525(8)
_cell_length_c                   15.232(10)
_cell_measurement_reflns_used    7567
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.87
_cell_measurement_theta_min      2.63
_cell_volume                     1934(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.984
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_diffrn_reflns_theta_max         31.494
_diffrn_reflns_theta_min         1.352
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6518
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_description       prism
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.250
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_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.301
_refine_diff_density_min         -1.693
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         11081
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0523P)^2^+0.6989P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                9944
_reflns_number_total             11081
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           TbLPhen
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_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.647
_shelx_estimated_absorpt_t_max   0.832
_shelx_res_checksum              71108