Highly luminescent bis-diketone lanthanide complexes with triple-stranded dinuclear structure.
Li, Hong-Feng; Yan, Peng-Fei; Chen, Peng; Wang, Yan; Xu, Hui; Li, Guang-Ming; Dalton transactions (Cambridge, England : 2003) 41 (2012) 900–907; doi:10.1039/c1dt11496d

data_7017828
_publ_section_title
;
 Highly luminescent bis-diketone lanthanide complexes with triple-stranded
 dinuclear structure.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              900
_journal_page_last               907
_journal_paper_doi               10.1039/c1dt11496d
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C68 H50 F18 O16 Yb2'
_chemical_formula_weight         1811.16
_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                94.2940(7)
_cell_angle_beta                 101.7520(7)
_cell_angle_gamma                103.4720(7)
_cell_formula_units_Z            2
_cell_length_a                   10.8884(3)
_cell_length_b                   17.7585(5)
_cell_length_c                   18.8929(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3449.35(16)
_computing_cell_refinement       SAINT-plus
_computing_data_collection       SMART
_computing_data_reduction        SAINT-plus
_computing_molecular_graphics    SHELXL97
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_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  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34043
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    2.810
_exptl_absorpt_correction_T_max  0.620
_exptl_absorpt_correction_T_min  0.532
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1776
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_refine_diff_density_max         3.065
_refine_diff_density_min         -1.474
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     969
_refine_ls_number_reflns         15669
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0385P)^2^+35.5401P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1538
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                12312
_reflns_number_total             15669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11496d.txt
_cod_data_source_block           shelxl_b
_cod_original_cell_volume        3449.34(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7017828