Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters Supported by Amidopyridinate Ligands
Lyubov, Dmitrii M.; Döring, Christian; Fukin, Georgii K.; Cherkasov, Anton V.; Shavyrin, Andrei S.; Kempe, Rhett; Trifonov, Alexander A.; Organometallics 27 (2008) 2905–; doi:10.1021/om800364b

data_4071760
_publ_section_title
;
 Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters
 Supported by Amidopyridinate Ligands
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2905
_journal_paper_doi               10.1021/om800364b
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C40 H59 Cl2 Li0 N2 O2 Y'
_chemical_formula_weight         759.70
_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                71.150(5)
_cell_angle_beta                 84.948(5)
_cell_angle_gamma                65.743(5)
_cell_formula_units_Z            2
_cell_length_a                   12.8280(9)
_cell_length_b                   13.4100(9)
_cell_length_c                   15.7150(10)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    191(2)
_cell_volume                     2329.4(3)
_computing_data_collection       X-AREA-STOE
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      191(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  STOE-IPDSII
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1147
_diffrn_reflns_av_sigmaI/netI    0.1141
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30654
_diffrn_reflns_theta_full        25.76
_diffrn_reflns_theta_max         25.76
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    1.396
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.738
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         8810
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.934
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.0630
_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^)+(0.0601P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1193
_refine_ls_wR_factor_ref         0.1345
_reflns_number_gt                5771
_reflns_number_total             8810
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800364b-file007.cif
_cod_data_source_block           k390a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071760
_cell_measurement_2theta_min     2.74
_cell_measurement_2theta_max     52.11