Steric control on the redox chemistry of (η(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted iminopyridines.
Trifonov, Alexander A.; Shestakov, Boris G.; Gudilenkov, Ivan D.; Fukin, Georgy K.; Giambastiani, Giuliano; Bianchini, Claudio; Rossin, Andrea; Luconi, Lapo; Filippi, Jonathan; Sorace, Lorenzo; Dalton transactions (Cambridge, England : 2003) 40 (2011) 10568–10575; doi:10.1039/c1dt10135h

data_7016604
_publ_section_title
;
 Steric control on the redox chemistry of
 (\h(5)-C(9)H(7))(2)Yb(II)(THF)(2) by 6-aryl substituted
 iminopyridines.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10568
_journal_page_last               10575
_journal_paper_doi               10.1039/c1dt10135h
_journal_volume                  40
_journal_year                    2011
_chemical_absolute_configuration unk
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C40 H38 N2 O1 Yb1'
_chemical_formula_sum            'C40 H38 N2 O Yb'
_chemical_formula_weight         735.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_date             2010-12-16T14:48:24-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.968(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.309(4)
_cell_length_b                   27.522(11)
_cell_length_c                   11.346(5)
_cell_measurement_reflns_used    6150
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.4847
_cell_measurement_theta_min      4.1597
_cell_measurement_wavelength     0.71073
_cell_volume                     3195(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.4547
_diffrn_measured_fraction_theta_full 0.867
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0431396645
_diffrn_orient_matrix_UB_12      0.0132428786
_diffrn_orient_matrix_UB_13      -0.0322944849
_diffrn_orient_matrix_UB_21      0.0509158248
_diffrn_orient_matrix_UB_22      -0.0167352653
_diffrn_orient_matrix_UB_23      0.0189230352
_diffrn_orient_matrix_UB_31      -0.0189129797
_diffrn_orient_matrix_UB_32      -0.0146612504
_diffrn_orient_matrix_UB_33      -0.050679039
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0743
_diffrn_reflns_av_unetI/netI     0.0994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15497
_diffrn_reflns_theta_full        26.55
_diffrn_reflns_theta_max         26.55
_diffrn_reflns_theta_min         4.2
_exptl_absorpt_coefficient_mu    2.961
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.89528
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.015
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.979
_refine_diff_density_min         -0.653
_refine_diff_density_rms         0.104
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.013(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         5381
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.056
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0198P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0636
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                4223
_reflns_number_total             5381
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10135h.txt
_cod_data_source_block           YbFu
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7016604