Unusual crystalline heterobimetallic trinuclear β-diketiminates [Yb{L(µ-Li(thf)}2] and [Yb{L′(µ-Li(thf)}2]·thf [L, L′ = {N(SiMe3)C(R)}2CH, R = Ph, C6H4Ph-4]Electonic supplementary information (ESI) available: NOE data for 1 and NMR data for 2. See http://www.rsc.org/suppdata/cc/b2/b203321f/
Avent, Anthony G.; Khvostov, Alexei V.; Hitchcock, Peter B.; Lappert, Michael F.; Chemical Communications  (2002) 1410–; doi:10.1039/b203321f

data_7114004
_publ_section_title
;
 Unusual crystalline heterobimetallic trinuclear \b-diketiminates
 [Yb{L(&#x00B5;-Li(thf)}2] and
 [Yb{L&#x2032;(&#x00B5;-Li(thf)}2]&#x00B7;thf [L, L&#x2032; =
 {N(SiMe3)C(R)}2CH, R = Ph, C6H4Ph-4]Electonic supplementary information
 (ESI) available: NOE data for 1 and NMR data for 2. See
 http://www.rsc.org/suppdata/cc/b2/b203321f/
;
_journal_issue                   13
_journal_name_full               'Chemical Communications'
_journal_page_first              1410
_journal_paper_doi               10.1039/b203321f
_journal_year                    2002
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety
;
(C74 H90 Li2 N4 O2 Si4 Yb1)(C4 H10 O1)
;
_chemical_formula_sum            'C78 H100 Li2 N4 O3 Si4 Yb'
_chemical_formula_weight         1440.9
_chemical_name_common
;
[Yb{Me3SiNC(C6H4Ph)CHC(C6H4Ph)NSiMe3}2(Li(thf)}2].(Et2O)
;
_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_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1
_audit_creation_date             2001-08-07T11:48:36-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                63.695(2)
_cell_angle_beta                 82.531(3)
_cell_angle_gamma                84.167(3)
_cell_formula_units_Z            2
_cell_length_a                   15.4776(6)
_cell_length_b                   16.1498(9)
_cell_length_c                   17.3031(10)
_cell_measurement_reflns_used    13882
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.028
_cell_measurement_theta_min      3.705
_cell_measurement_wavelength     0.71073
_cell_volume                     3839.6(3)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97( (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.1115
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21885
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         3.73
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  0.741
_exptl_absorpt_correction_T_min  0.690
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.276
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         13492
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0305P)^2^+5.7912P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1122
_refine_ls_wR_factor_ref         0.1253
_reflns_number_gt                10056
_reflns_number_total             13492
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b203321f.txt
_cod_data_source_block           jul2601-mfl-2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7114004