Synthesis, structure and luminescence studies of Eu(III), Tb(III), Sm(III), Dy(III) cationic complexes with acetylacetone and bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane
Gusev, Alexey N.; Hasegawa, Miki; Shimizu, Tomohito; Fukawa, Tomonori; Sakurai, Shoya; Nishchymenko, Galyna A.; Shul'gin, Victor F.; Meshkova, Svetlana B.; Linert, Wolfgang; Inorganica Chimica Acta 406 (2013) 279–284; doi:10.1016/j.ica.2013.04.006

data_1513895
_publ_section_title
;
 Synthesis, structure and luminescence studies of Eu(III), Tb(III),
 Sm(III), Dy(III) cationic complexes with acetylacetone and
 bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              279
_journal_page_last               284
_journal_paper_doi               10.1016/j.ica.2013.04.006
_journal_volume                  406
_journal_year                    2013
_chemical_formula_moiety         'C34.50 H45 Cl N8 O4 Tb'
_chemical_formula_sum            'C34.5 H45 Cl N8 O4 Tb'
_chemical_formula_weight         830.16
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                86.64(5)
_cell_angle_beta                 72.50(4)
_cell_angle_gamma                88.62(5)
_cell_formula_units_Z            2
_cell_length_a                   9.229(5)
_cell_length_b                   13.790(11)
_cell_length_c                   14.984(9)
_cell_measurement_reflns_used    10399
_cell_measurement_temperature    93
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.10
_cell_volume                     1816(2)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_collection       'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2011)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            41519
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.066
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.643
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             844.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         2.59
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     440
_refine_ls_number_reflns         7118
_refine_ls_number_restraints     48
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0420P)^2^+12.4137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                7041
_reflns_number_total             7118
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            sc1029.cif
_cod_data_source_block           TB2_(sc1029)
_cod_original_formula_sum        'C34.50 H45 Cl N8 O4 Tb'
_cod_database_code               1513895