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_4073853
_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         'C34 H30 Cl N4 O2 Y'
_chemical_formula_sum            'C34 H30 Cl N4 O2 Y'
_chemical_formula_weight         650.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 102.572(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.6880(11)
_cell_length_b                   23.835(2)
_cell_length_c                   21.211(2)
_cell_measurement_reflns_used    12879
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.6
_cell_volume                     7247.7(11)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1026
_diffrn_reflns_av_sigmaI/netI    0.1797
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            54829
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.714
_exptl_absorpt_correction_T_max  0.7042
_exptl_absorpt_correction_T_min  0.6273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2672
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.691
_refine_diff_density_rms         0.115
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.035(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1560
_refine_ls_number_reflns         24906
_refine_ls_number_restraints     269
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1112
_refine_ls_R_factor_gt           0.0768
_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^)+(0.0693P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1780
_refine_ls_wR_factor_ref         0.2024
_reflns_number_gt                16498
_reflns_number_total             24906
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7006826-file002.cif
_cod_data_source_block           compound2
_cod_original_cell_volume        7247.8(11)
_cod_database_code               4073853