Reactivity of Monocationic Bis(alkyl) and Dicationic Mono(alkyl) Yttrium Complexes toward Ketones and Carbon Dioxide
Nakajima, Yumiko; Okuda, Jun; Organometallics 26 (2007) 1270–; doi:10.1021/om0610290

data_4072784
_publ_section_title
;
 Reactivity of Monocationic Bis(alkyl) and Dicationic Mono(alkyl) Yttrium
 Complexes toward Ketones and Carbon Dioxide
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1270
_journal_paper_doi               10.1021/om0610290
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C85 H110 B2 Cl2 F8 O16 Si4 Y2'
_chemical_formula_weight         1922.43
_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                 92.171(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.708(2)
_cell_length_b                   13.3582(11)
_cell_length_c                   23.4492(19)
_cell_measurement_reflns_used    6622
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      22.85
_cell_measurement_theta_min      2.17
_cell_volume                     9299.0(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP 3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0819
_diffrn_reflns_av_sigmaI/netI    0.0729
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            66746
_diffrn_reflns_theta_full        29.58
_diffrn_reflns_theta_max         29.58
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.428
_exptl_absorpt_correction_T_max  0.8038
_exptl_absorpt_correction_T_min  0.5535
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3992
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.432
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         12971
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0973
_refine_ls_R_factor_gt           0.0506
_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/[\s2^(Fo2^)+(0.0624P)2^+10.3223P] where P=(Fo2^+2Fc2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1151
_refine_ls_wR_factor_ref         0.1341
_reflns_number_gt                8431
_reflns_number_total             12971
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0610290si20070104_103919.cif
_cod_data_source_block           complex7c
_cod_database_code               4072784