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_7017827
_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 Nd2 O16'
_chemical_formula_weight         1753.56
_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                93.2520(8)
_cell_angle_beta                 101.1120(8)
_cell_angle_gamma                102.6610(7)
_cell_formula_units_Z            2
_cell_length_a                   11.1163(3)
_cell_length_b                   17.6881(5)
_cell_length_c                   18.9126(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3541.19(18)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            56721
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    1.562
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'light purple'
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.117
_refine_diff_density_min         -1.691
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     954
_refine_ls_number_reflns         16073
_refine_ls_number_restraints     63
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0494
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0675P)^2^+3.1745P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1510
_reflns_number_gt                10732
_reflns_number_total             16073
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11496d.txt
_cod_data_source_block           shelxl_a
_cod_original_cell_volume        3541.19(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7017827