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_4307268
_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         'C42 H70 N2 O4 Yb, 0.5(C7 H8)'
_chemical_formula_sum            'C45.5 H74 N2 O4 Yb'
_chemical_formula_weight         886.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                99.946(5)
_cell_angle_beta                 93.953(6)
_cell_angle_gamma                94.277(4)
_cell_formula_units_Z            2
_cell_length_a                   9.6766(19)
_cell_length_b                   14.893(3)
_cell_length_c                   15.930(4)
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     2247.1(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      193(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22377
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    2.122
_exptl_absorpt_correction_T_max  0.6763
_exptl_absorpt_correction_T_min  0.4917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             926
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.982
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     485
_refine_ls_number_reflns         8170
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0394P)^2^+2.0613P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0739
_refine_ls_wR_factor_ref         0.0761
_reflns_number_gt                7697
_reflns_number_total             8170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061805wsi20060922_091454_1.cif
_cod_data_source_block           complexl
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_formula_sum        'C45.50 H74 N2 O4 Yb'
_cod_database_code               4307268