Bis- and Mono(amidate) Complexes of Yttrium: Synthesis, Characterization, and Use as Precatalysts for the Hydroamination of Aminoalkenes
Stanlake, Louisa J. E.; Schafer, Laurel L.; Organometallics 28 (2009) 3990–; doi:10.1021/om801190t

data_4068985
_publ_section_title
;
 Bis- and Mono(amidate) Complexes of Yttrium: Synthesis, Characterization,
 and Use as Precatalysts for the Hydroamination of Aminoalkenes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3990
_journal_paper_doi               10.1021/om801190t
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C70 H90 N3 O3 Si2 Y'
_chemical_formula_sum            'C70 H90 N3 O3 Si2 Y'
_chemical_formula_weight         1166.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.524(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2111(8)
_cell_length_b                   20.1020(14)
_cell_length_c                   24.9192(17)
_cell_measurement_reflns_used    6950
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.599
_cell_measurement_theta_min      2.173
_cell_volume                     6484.4(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_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  0.0636
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            37610
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.983
_exptl_absorpt_correction_T_max  0.8215
_exptl_absorpt_correction_T_min  0.3382
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     728
_refine_ls_number_reflns         8456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0844
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0414P)^2^+8.8878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                6046
_reflns_number_total             8456
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801190t_si_002.cif
_cod_data_source_block           ls083
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4068985