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_4328788
_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
'C46 H68 Eu2 I4 Li4 N8 O Si4, 2(C12 H30 Li O6), 2(C7 H8)'
_chemical_formula_sum            'C84 H144 Eu2 I4 Li6 N8 O13 Si4'
_chemical_formula_weight         2439.59
_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                 104.944(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.754(3)
_cell_length_b                   28.613(5)
_cell_length_c                   14.661(3)
_cell_measurement_reflns_used    17471
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     5574.6(19)
_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      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            39587
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    2.318
_exptl_absorpt_correction_T_max  0.499
_exptl_absorpt_correction_T_min  0.305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_description       prism
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.230
_refine_diff_density_min         -1.078
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         10329
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0759
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0715P)^2^+19.0614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1773
_refine_ls_wR_factor_ref         0.1845
_reflns_number_gt                9132
_reflns_number_total             10329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202505d_si_002_2.cif
_cod_data_source_block           complex2
_cod_original_cell_volume        5574.6(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4328788