Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.
Kuda-Wedagedara, Akhila N W; Wang, Chengcheng; Martin, Philip D.; Allen, Matthew J.; Journal of the American Chemical Society 137 (2015) 4960–4963; doi:10.1021/jacs.5b02506

data_4129413
_publ_section_title
;
 Aqueous Eu(II)-Containing Complex with Bright Yellow Luminescence.
;
_journal_issue                   15
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4960
_journal_page_last               4963
_journal_paper_doi               10.1021/jacs.5b02506
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C19 H45 Cl2 Eu N8 O'
_chemical_formula_weight         624.49
_space_group_crystal_system      trigonal
_space_group_IT_number           158
_space_group_name_Hall           'P 3 -2"c'
_space_group_name_H-M_alt        'P 3 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   16.4389(6)
_cell_length_b                   16.4389(6)
_cell_length_c                   16.3399(8)
_cell_measurement_temperature    100(2)
_cell_volume                     3824.1(3)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.962
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0417
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            234315
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.938
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         40.812
_diffrn_reflns_theta_min         1.430
_exptl_absorpt_coefficient_mu    2.697
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_description       columnar
_exptl_crystal_F_000             1920
_refine_diff_density_max         8.120
_refine_diff_density_min         -2.364
_refine_diff_density_rms         0.237
_refine_ls_abs_structure_details
;
 Flack x determined using 5548 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.221(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         14643
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.244
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          5.795
_refine_ls_shift/su_mean         0.827
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0321P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1601
_reflns_Friedel_coverage         0.949
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.915
_reflns_number_gt                12671
_reflns_number_total             14643
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b02506_si_001.cif
_cod_data_source_block           akweu2_p3c1_s
_cod_database_code               4129413
_shelxl_version_number           2013-2
_shelx_res_checksum              85979
_shelx_hkl_checksum              73125