A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands
Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei; CrystEngComm 16 (2014) 10460–; doi:10.1039/C4CE01556H

data_7218234
_publ_section_title
;
 A series of lanthanide(iii) complexes constructed from Schiff base and
 \b-diketonate ligands
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              10460
_journal_paper_doi               10.1039/C4CE01556H
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C44 H20 F36 N4 O12 Yb2'
_chemical_formula_weight         1826.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.313(5)
_cell_length_b                   11.450(2)
_cell_length_c                   24.062(5)
_cell_measurement_temperature    293(2)
_cell_volume                     6423(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15271
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    3.054
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3488
_refine_diff_density_max         1.299
_refine_diff_density_min         -0.879
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         5655
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.074
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0778P)^2^+8.6558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1405
_refine_ls_wR_factor_ref         0.1546
_reflns_number_gt                4070
_reflns_number_total             5655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01556h2.cif
_cod_data_source_block           s
_cod_depositor_comments
'Adding full bibliography for 7218229--7218234.cif.'
_cod_original_sg_symbol_H-M      Pcca
_cod_database_code               7218234