A Bis(1,2-Azaborolyl)yttrium Alkyl Complex: Synthesis, Structure, and Polymerization Study
Fang, Xiangdong; Deng, Yuanfu; Xie, Qinxing; Moingeon, Firmin; Organometallics 27 (2008) 2892–; doi:10.1021/om800073s

data_4071273
_publ_section_title
;
 A Bis(1,2-Azaborolyl)yttrium Alkyl Complex: Synthesis, Structure, and
 Polymerization Study
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              2892
_journal_paper_doi               10.1021/om800073s
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C28 H41 B2 N2 O Si Y'
_chemical_formula_weight         560.25
_chemical_name_common            'Bis(1,2-azaborolyl) yttrium alkyl'
_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                102.128(1)
_cell_angle_beta                 107.478(1)
_cell_angle_gamma                108.072(1)
_cell_formula_units_Z            2
_cell_length_a                   9.8641(5)
_cell_length_b                   12.5338(6)
_cell_length_c                   13.7462(6)
_cell_measurement_temperature    173(2)
_cell_volume                     1452.33(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.886
_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  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15304
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.32
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    2.071
_exptl_absorpt_correction_T_max  0.8196
_exptl_absorpt_correction_T_min  0.5754
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   APX2
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.216
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         9969
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0412
_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^)+(0.0504P)^2^+0.7891P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0952
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                8106
_reflns_number_total             9969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800073s-file004.cif
_cod_data_source_block           y-0523_0m
_cod_original_cell_volume        1452.3(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071273