A fluorescence study on the complexation of Sm(iii), Eu(iii) and Tb(iii) with tetraalkyldiglycolamides (TRDGA) in aqueous solution, in solid state, and in solvent extraction.
Kou, Fei; Yang, Suliang; Qian, Hongjuan; Zhang, Lihua; Beavers, Christine M.; Teat, Simon J.; Tian, Guoxin; Dalton transactions (Cambridge, England : 2003) 45 (2016) 18484–18493; doi:10.1039/c6dt02930b

data_7040442
_publ_section_title
;
 A fluorescence study on the complexation of Sm(iii), Eu(iii) and Tb(iii)
 with tetraalkyldiglycolamides (TRDGA) in aqueous solution, in solid
 state, and in solvent extraction.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18484
_journal_page_last               18493
_journal_paper_doi               10.1039/c6dt02930b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C24 H48 Cl3 Eu N6 O21'
_chemical_formula_weight         1014.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     'Intrinsic phasing'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-11-01 deposited with the CCDC.
2016-08-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.191(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.490(3)
_cell_length_b                   14.339(2)
_cell_length_c                   14.811(2)
_cell_measurement_reflns_used    9097
_cell_measurement_temperature    270(2)
_cell_measurement_theta_max      34.10
_cell_measurement_theta_min      2.59
_cell_volume                     4073.9(10)
_computing_cell_refinement       'Bruker SAINT v8.34a'
_computing_data_collection       'Bruker APEX 2'
_computing_data_reduction        'Bruker SAINT v8.34a'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL & local programs'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL 2014/4'
_diffrn_ambient_temperature      270(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 detector'
_diffrn_measurement_method       '\w/\q shutterless scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.7749
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22853
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        27.706
_diffrn_reflns_theta_max         34.203
_diffrn_reflns_theta_min         1.933
_diffrn_source                   'Advanced Light Source station 11.3.1'
_exptl_absorpt_coefficient_mu    2.271
_exptl_absorpt_correction_T_max  0.742
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/4 Bruker AXS Madison WI USA'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         6521
_refine_ls_number_restraints     133
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+2.0469P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0954
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5518
_reflns_number_total             6521
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt02930b2.cif
_cod_data_source_block           eutmoga_270k
_cod_depositor_comments
'Adding full bibliography for 7040441--7040443.cif.'
_cod_original_cell_volume        4073.8(10)
_cod_database_code               7040442
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.659
_shelx_estimated_absorpt_t_max   0.742
_shelx_res_checksum              16421