The First Bridged Lanthanide Carbene Complex Formed through Reduction of Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its Reactivity to Phenylisocyanate
Zhu Du; Hui Zhou; Haisheng Yao; Yong Zhang; Yingming Yao; Qi Shen; Chem.Commun. 47 (2011) 3595–; doi:10.1039/c0cc04504g

data_7106104
_publ_section_title
;
 The First Bridged Lanthanide Carbene Complex Formed through Reduction of
 Carbodiimide by amine Bis(phenolate )Ytterbium(II) Complex and Its
 Reactivity to Phenylisocyanate
;
_journal_name_full               Chem.Commun.
_journal_page_first              3595
_journal_paper_doi               10.1039/c0cc04504g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         '2(C96 H139 N7 O8 Yb2), 6(C7 H8), C6, C'
_chemical_formula_sum            'C241 H334 N14 O16 Yb4'
_chemical_formula_weight         4375.38
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 109.757(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   57.606(4)
_cell_length_b                   16.9580(10)
_cell_length_c                   24.9846(18)
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0539
_cell_volume                     22970(3)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.1088
_diffrn_reflns_av_sigmaI/netI    0.0919
_diffrn_reflns_limit_h_max       69
_diffrn_reflns_limit_h_min       -62
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            111192
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.675
_exptl_absorpt_correction_T_max  0.8272
_exptl_absorpt_correction_T_min  0.6729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             9144
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.035
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         21007
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.1164
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0614P)^2^+290.2887P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1751
_refine_ls_wR_factor_ref         0.1896
_reflns_number_gt                16195
_reflns_number_total             21007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc04504g.txt
_cod_data_source_block           Complex3
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7106104