Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of "(C5Me4SiMe3)LnH2" Units. Unique Reactivities toward Unsaturated C-C, C-N, and C-O Bonds
Dongmei Cui; Olivier Tardif; Zhaomin Hou; Journal of the American Chemical Society 126 (2004) 1312–1313; doi:10.1021/ja039324o

data_4112175
_publ_section_title
;
 Tetranuclear Rare Earth Metal Polyhydrido Complexes Composed of
 "(C5Me4SiMe3)LnH2" Units. Unique Reactivities toward Unsaturated C-C,
 C-N, and C-O Bonds
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1312
_journal_page_last               1313
_journal_paper_doi               10.1021/ja039324o
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C70 H120 Si6 Y4'
_chemical_formula_weight         1485.84
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 97.777(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.937(2)
_cell_length_b                   12.0613(18)
_cell_length_c                   25.706(4)
_cell_measurement_temperature    173(2)
_cell_volume                     3974.2(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.1285
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            24054
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    3.016
_exptl_absorpt_correction_T_max  0.4648
_exptl_absorpt_correction_T_min  0.2648
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_description       bar
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_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.646
_refine_diff_density_min         -0.467
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         8996
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_refine_ls_shift/su_mean         0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0420P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja039324osi20031224_085501.cif
_cod_data_source_block           02123mo
_cod_original_cell_volume        3974.3(10)
_cod_database_code               4112175