Luminescent properties of 2-mercaptobenzothiazolates of trivalent lanthanides.
Ilichev, Vasily A.; Pushkarev, Anatoly P.; Rumyantcev, Roman V.; Yablonskiy, Artem N.; Balashova, Tatyana V.; Fukin, Georgy K.; Grishin, Dmitry F.; Andreev, Boris A.; Bochkarev, Mikhail N.; Physical chemistry chemical physics : PCCP 17 (2015) 11000–11005; doi:10.1039/c4cp05928j

data_7220032
_publ_section_title
;
 Luminescent properties of 2-mercaptobenzothiazolates of trivalent
 lanthanides.
;
_journal_issue                   16
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              11000
_journal_page_last               11005
_journal_paper_doi               10.1039/c4cp05928j
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C25 H22 N3 O S6 Yb'
_chemical_formula_weight         745.85
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-12-16 deposited with the CCDC.
2015-03-31 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   17.7338(2)
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_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      3.1247
_cell_volume                     2741.96(6)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
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_computing_publication_material  'SHELXTL  (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47245
_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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_exptl_absorpt_process_details
;
SCALE3 ABSPACK, CrysAlisPro, Agilent Technologies (2012) 
;
_exptl_crystal_colour            yellow
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0176P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0417
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5688
_reflns_number_total             6601
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_cod_depositor_comments          'Adding full bibliography for 7220032.cif.'
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_shelx_estimated_absorpt_t_min   0.204
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