Observation of Internal Electron Transfer in Bulky Allyl Ytterbium Complexes with Substituted Terpyridine Ligands
White, Rosemary E.; Carlson, Christin N.; Veauthier, Jacqueline M.; Simpson, Cheslan K.; Thompson, J. D.; Scott, Brian L.; Hanusa, Timothy P.; John, Kevin D.; Inorganic Chemistry 45 (2006) 7004–7009; doi:10.1021/ic060603x

data_4332637
_publ_section_title
;
 Observation of Internal Electron Transfer in Bulky Allyl Ytterbium
 Complexes with Substituted Terpyridine Ligands
;
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7004
_journal_page_last               7009
_journal_paper_doi               10.1021/ic060603x
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C33 H49 N3 Si4 Yb'
_chemical_formula_weight         773.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_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                71.618(5)
_cell_angle_beta                 77.715(5)
_cell_angle_gamma                71.934(5)
_cell_formula_units_Z            2
_cell_length_a                   10.202(4)
_cell_length_b                   12.018(4)
_cell_length_c                   17.226(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1889.9(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.953
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.1056
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14218
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.57
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.625
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             788
_refine_diff_density_max         8.844
_refine_diff_density_min         -2.044
_refine_diff_density_rms         0.335
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         7517
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.1065
_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^)+(0.1239P)^2^+86.3286P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2859
_refine_ls_wR_factor_ref         0.2957
_reflns_number_gt                5775
_reflns_number_total             7517
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060603xsup1.cif
_cod_data_source_block           apx261
_cod_original_cell_volume        1889.8(12)
_cod_database_code               4332637