Luminescent europium(iii) and terbium(iii) complexes of β-diketonate and substituted terpyridine ligands: synthesis, crystal structures and elucidation of energy transfer pathways
Abbas, Zafar; Dasari, Srikanth; Beltrán-Leiva, María J.; Cantero-López, Plinio; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Butcher, Ray J.; Patra, Ashis K.; New Journal of Chemistry 43 (2019) 15139–; doi:10.1039/C9NJ02838B

data_7058794
_publ_section_title
;
 Luminescent europium(iii) and terbium(iii) complexes of \b-diketonate and
 substituted terpyridine ligands: synthesis, crystal structures and
 elucidation of energy transfer pathways
;
_journal_issue                   38
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15139
_journal_paper_doi               10.1039/C9NJ02838B
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C43 H25 F9 N3 O6 S4 Tb'
_chemical_formula_sum            'C43 H25 F9 N3 O6 S4 Tb'
_chemical_formula_weight         1137.82
_chemical_name_common            Tbstpyttfa3
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-08-24 deposited with the CCDC.    2019-08-29 downloaded from the CCDC.
;
_cell_angle_alpha                87.9550(10)
_cell_angle_beta                 80.144(2)
_cell_angle_gamma                69.8490(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8630(6)
_cell_length_b                   12.2319(7)
_cell_length_c                   19.6295(12)
_cell_measurement_reflns_used    9944
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.30
_cell_volume                     2189.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0326
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7777
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.100
_diffrn_reflns_theta_max         25.100
_diffrn_reflns_theta_min         2.232
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.896
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(Sheldrick,1997)
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.898
_refine_diff_density_min         -1.414
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         7777
_refine_ls_number_restraints     1820
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0664P)^2^+11.2117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1323
_refine_ls_wR_factor_ref         0.1397
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6758
_reflns_number_total             7777
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9nj02838b2.cif
_cod_data_source_block           Tbstpytta
_cod_depositor_comments
'Adding full bibliography for 7058792--7058795.cif.'
_cod_database_code               7058794
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.703
_shelx_estimated_absorpt_t_max   0.703
_shelx_res_checksum              66115