New reaction of β-diketiminatoeuropium complex: sterically induced oxidation‒coupling of β-diketiminato ligands
Jiao, Rui; Shen, Xiaodong; Xue, Mingqiang; Zhang, Yong; Yao, Yingming; Shen, Qi; Chemical Communications 46 (2010) 4118–4120; doi:10.1039/b927582g

data_7111583
_publ_section_title
;
 New reaction of \b-diketiminatoeuropium complex: sterically induced
 oxidation--coupling of \b-diketiminato ligands
;
_journal_issue                   23
_journal_name_full               'Chemical Communications'
_journal_page_first              4118
_journal_page_last               4120
_journal_paper_doi               10.1039/b927582g
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C46 H58 Eu N4 O, 0.5(C4 H8 O)'
_chemical_formula_sum            'C48 H62 Eu N4 O1.5'
_chemical_formula_weight         870.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 91.485(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2725(13)
_cell_length_b                   20.602(2)
_cell_length_c                   19.583(2)
_cell_measurement_reflns_used    14807
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     4546.4(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43934
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.048
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.188
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     498
_refine_ls_number_reflns         8316
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0223P)^2^+5.5163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0940
_refine_ls_wR_factor_ref         0.1008
_reflns_number_gt                6672
_reflns_number_total             8316
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b927582gsup1.cif
_cod_data_source_block           complexl
_cod_original_cell_volume        4546.4(9)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C48 H62 Eu N4 O1.50'
_cod_database_code               7111583