Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions
Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen; Inorganic Chemistry 51 (2012) 4151–4160; doi:10.1021/ic202505d

data_4328787
_publ_contact_author_email       qshen@suda.edu.cn
_publ_contact_author_fax         86-512-65880305
_publ_contact_author_name        'Dr. Qi Shen'
_publ_contact_author_phone       86-512-65880306
_publ_section_title
;
 Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L
 [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and
 One-Electron-Transfer Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4151
_journal_page_last               4160
_journal_paper_doi               10.1021/ic202505d
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C39 H74 I2 N4 O8 Si2 Yb2'
_chemical_formula_sum            'C39 H74 I2 N4 O8 Si2 Yb2'
_chemical_formula_weight         1383.08
_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                85.840(9)
_cell_angle_beta                 70.978(6)
_cell_angle_gamma                79.046(8)
_cell_formula_units_Z            2
_cell_length_a                   12.8509(12)
_cell_length_b                   14.1330(17)
_cell_length_c                   16.3133(19)
_cell_measurement_reflns_used    8848
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     2749.8(5)
_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      213(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0680
_diffrn_reflns_av_sigmaI/netI    0.0861
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27195
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    4.590
_exptl_absorpt_correction_T_max  0.5460
_exptl_absorpt_correction_T_min  0.3397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_description       block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.320
_refine_diff_density_min         -1.769
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         10002
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0953
_refine_ls_R_factor_gt           0.0668
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0573P)^2^+3.8222P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1490
_reflns_number_gt                7461
_reflns_number_total             10002
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202505d_si_002_1.cif
_cod_data_source_block           complexl
_cod_database_code               4328787