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_7016601
_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 S Yb, C7 H8'
_chemical_formula_sum            'C47 H46 N2 S Yb'
_chemical_formula_weight         843.96
_chemical_name_systematic
;
?
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
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_cell_formula_units_Z            4
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_cell_length_b                   10.380(4)
_cell_length_c                   15.684(6)
_cell_measurement_reflns_used    8825
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8081
_cell_measurement_theta_min      4.1491
_cell_measurement_wavelength     0.71073
_cell_volume                     3858(3)
_computing_cell_refinement
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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)
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_computing_data_collection
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CrysAlisPro, Oxford Diffraction Ltd.,
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_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
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(compiled May 6 2009,17:20:42)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.4547
_diffrn_measured_fraction_theta_full 0.881
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      -0.0081100622
_diffrn_orient_matrix_UB_12      0.0229066128
_diffrn_orient_matrix_UB_13      -0.0255945381
_diffrn_orient_matrix_UB_21      0.0284827732
_diffrn_orient_matrix_UB_22      -0.0341552645
_diffrn_orient_matrix_UB_23      -0.0151727748
_diffrn_orient_matrix_UB_31      -0.0616085156
_diffrn_orient_matrix_UB_32      -0.0187810983
_diffrn_orient_matrix_UB_33      -0.0036095734
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_limit_h_max       32
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_exptl_absorpt_coefficient_mu    2.514
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.73772
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
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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)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1712
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.1
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.005(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7862
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0375P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0695
_refine_ls_wR_factor_ref         0.0715
_reflns_number_gt                6376
_reflns_number_total             7862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10135h.txt
_cod_data_source_block           Yb3Th
_cod_database_code               7016601