Dependence of the Photophysical Properties on the Number of 2,2'-Bipyridine Units in a Series of Luminescent Europium and Terbium Cryptates
Nicola Alzakhem; Caroline Bischof; Michael Seitz; Inorganic Chemistry 51 (2012) 9343–9349; doi:10.1021/ic3010568

data_4330175
_publ_section_title
;
 Dependence of the Photophysical Properties on the Number of
 2,2'-Bipyridine Units in a Series of Luminescent Europium and Terbium
 Cryptates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9343
_journal_page_last               9349
_journal_paper_doi               10.1021/ic3010568
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C24 H34 Br N4 Na O6'
_chemical_formula_weight         577.45
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.260(8)
_cell_angle_beta                 96.789(9)
_cell_angle_gamma                102.264(9)
_cell_formula_units_Z            4
_cell_length_a                   12.046(5)
_cell_length_b                   15.136(6)
_cell_length_c                   17.045(7)
_cell_measurement_temperature    233(2)
_cell_volume                     2718.4(19)
_computing_cell_refinement       'SAINT 7.07B (Bruker, 2006)'
_computing_data_collection       'SMART V5.059 (Bruker, 2006)'
_computing_data_reduction        'SAINT 7.07B (Bruker, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      233(2)
_diffrn_detector_area_resol_mean 81.92
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w/2\q-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0864
_diffrn_reflns_av_sigmaI/netI    0.1523
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14712
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         1.53
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.572
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_correction_T_min  0.58
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_description       block
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.207
_refine_diff_density_min         -0.944
_refine_diff_density_rms         0.235
_refine_ls_extinction_coef       0.092(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         9363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.964
_refine_ls_R_factor_all          0.1569
_refine_ls_R_factor_gt           0.1160
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2740
_refine_ls_wR_factor_ref         0.3073
_reflns_number_gt                5364
_reflns_number_total             9363
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3010568_si_002.cif
_cod_data_source_block           080806t
_cod_database_code               4330175