Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond
Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.; Organometallics 32 (2013) 1507–; doi:10.1021/om400015k

data_4080118
_publ_section_title
;
 Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs
 Hydrido Ligand. Metathesis of the Yb--H Bond
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1507
_journal_paper_doi               10.1021/om400015k
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C91.67 H139.67 N6 O4.17 Yb2'
_chemical_formula_weight         1738.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                111.023(2)
_cell_angle_beta                 106.486(3)
_cell_angle_gamma                97.723(3)
_cell_formula_units_Z            6
_cell_length_a                   20.671(2)
_cell_length_b                   26.709(3)
_cell_length_c                   29.791(3)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     14200(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.2078
_diffrn_reflns_av_sigmaI/netI    0.4928
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            84342
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    2.011
_exptl_absorpt_correction_T_max  0.9421
_exptl_absorpt_correction_T_min  0.7261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.220
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             5430
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.552
_refine_diff_density_min         -1.523
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2530
_refine_ls_number_reflns         54635
_refine_ls_number_restraints     1083
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.3462
_refine_ls_R_factor_gt           0.1105
_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^)+(0.0623P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.2314
_reflns_number_gt                14999
_reflns_number_total             54635
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400015k_si_003.cif
_cod_data_source_block           ybamh3m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4080118