Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes
Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin; Organometallics 32 (2013) 4142–; doi:10.1021/om4002999

data_4080965
_publ_section_title
;
 Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and
 Methyl Complexes
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4142
_journal_paper_doi               10.1021/om4002999
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C52 H100 Lu4 Si4'
_chemical_formula_sum            'C52 H100 Lu4 Si4'
_chemical_formula_weight         1537.56
_chemical_name_common            Cp'4Lu4H4Me4
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.394(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.104(4)
_cell_length_b                   12.656(2)
_cell_length_c                   40.687(8)
_cell_measurement_reflns_used    488
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     11876(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  CCD
_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  0.0390
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            30525
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    6.703
_exptl_absorpt_correction_T_max  0.1524
_exptl_absorpt_correction_T_min  0.1345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6016
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.45
_refine_diff_density_max         1.628
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     591
_refine_ls_number_reflns         10420
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+157.6310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0837
_reflns_number_gt                9677
_reflns_number_total             10420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4002999_si_001.cif
_cod_data_source_block           3
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4080965