Ytterbium(II) Complex Bearing a Diaminobis(phenolate) Ligand: Synthesis, Structure, and One-Electron-Transfer and ε-Caprolactone Polymerization Reactions
Hui Zhou; Huadong Guo; Yingming Yao; Liying Zhou; Hongmei Sun; Hongting Sheng; Yong Zhang; Qi Shen; Inorganic Chemistry 46 (2007) 958–964; doi:10.1021/ic061805w

data_4307270
_publ_contact_author_address
;      Department of Chemistry 
      Suzhou University
      Suzhou, 215006
      P. R. China
;
_publ_contact_author_email       qshen@suda.edu.cn
_publ_contact_author_fax         86-512-65880305
_publ_contact_author_name        'Prof. Qi Shen'
_publ_contact_author_phone       86-512-65880306
_publ_section_title
;
Ytterbium(II) Complex Bearing a Diaminobis(phenolate) Ligand: Synthesis,
Structure, and One-Electron-Transfer and \e-Caprolactone Polymerization
Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              958
_journal_page_last               964
_journal_paper_doi               10.1021/ic061805w
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C46 H69 N2 O4 Yb'
_chemical_formula_sum            'C46 H69 N2 O4 Yb'
_chemical_formula_weight         887.07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 114.011(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1597(18)
_cell_length_b                   10.5615(8)
_cell_length_c                   23.409(2)
_cell_measurement_reflns_used    17189
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     4552.9(7)
_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      153(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  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42950
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    2.095
_exptl_absorpt_correction_T_max  0.480
_exptl_absorpt_correction_T_min  0.288
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1844
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.046
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         8312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0252P)^2^+5.6605P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0592
_reflns_number_gt                7758
_reflns_number_total             8312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061805wsi20060922_091454_3.cif
_cod_data_source_block           complex3
_cod_original_cell_volume        4552.8(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4307270