Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand
Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming; Organometallics 32 (2013) 1876–; doi:10.1021/om400018b

data_4080472
_publ_section_title
;
 Unexpected C--H Bond Activation Promoted by Bimetallic Lanthanide Amido
 Complexes Bearing a META-Phenylene-Bridged Bis(\b-diketiminate) Ligand
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1876
_journal_paper_doi               10.1021/om400018b
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C52 H87 Cl N6 Si4 Yb2'
_chemical_formula_sum            'C52 H87 Cl N6 Si4 Yb2'
_chemical_formula_weight         1290.17
_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                92.904(2)
_cell_angle_beta                 92.422(2)
_cell_angle_gamma                114.028(2)
_cell_formula_units_Z            2
_cell_length_a                   11.4491(10)
_cell_length_b                   11.9270(11)
_cell_length_c                   24.1294(19)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     2998.4(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      293(2)
_diffrn_detector_area_resol_mean 7.31
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            29136
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    3.261
_exptl_absorpt_correction_T_max  0.380
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.419
_refine_diff_density_min         -1.608
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         10899
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0646
_refine_ls_R_factor_gt           0.0524
_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^)+(0.0466P)^2^+13.6772P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1207
_refine_ls_wR_factor_ref         0.1315
_reflns_number_gt                9295
_reflns_number_total             10899
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400018b_si_002.cif
_cod_data_source_block           complex3
_cod_original_cell_volume        2998.4(4)
_cod_database_code               4080472