Synthesis, Structural Characterization, and Reactivity of Organolanthanides Derived from a New Chiral Ligand, (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1‘-binaphthyl
Xiang, Li; Wang, Qiuwen; Song, Haibin; Zi, Guofu; Organometallics 26 (2007) 5323–; doi:10.1021/om7006826

data_4073855
_publ_section_title
;
 Synthesis, Structural Characterization, and Reactivity of
 Organolanthanides Derived from a New Chiral Ligand,
 (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1&#x2018;-binaphthyl
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5323
_journal_paper_doi               10.1021/om7006826
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C47 H54 N5 O Si2 Y'
_chemical_formula_sum            'C47 H54 N5 O Si2 Y'
_chemical_formula_weight         850.04
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   11.179(3)
_cell_length_b                   17.442(5)
_cell_length_c                   68.466(19)
_cell_measurement_reflns_used    7531
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      7.9
_cell_volume                     13350(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_av_sigmaI/netI    0.1748
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_limit_l_min       -84
_diffrn_reflns_number            62330
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.404
_exptl_absorpt_correction_T_max  0.7861
_exptl_absorpt_correction_T_min  0.7475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5352
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.377
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.005(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.822
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1573
_refine_ls_number_reflns         23852
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.822
_refine_ls_R_factor_all          0.1019
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0096P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0572
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                12927
_reflns_number_total             23852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7006826-file002.cif
_cod_data_source_block           compound4
_cod_original_cell_volume        13350(7)
_cod_database_code               4073855