Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide toward Alkali-Metal Salts and the Generation of Heterometallic Ytterbium−Alkali-Metal Boratabenzene Complexes
Cui, Peng; Chen, Yaofeng; Li, Guangyu; Xia, Wei; Organometallics 30 (2011) 2012–; doi:10.1021/om200040z

data_4064318
_publ_section_title
;
 Versatile Reactivities ofansa-Heteroborabenzene Divalent Ytterbium Amide
 toward Alkali-Metal Salts and the Generation of Heterometallic
 Ytterbium&#x2212;Alkali-Metal Boratabenzene Complexes
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2012
_journal_paper_doi               10.1021/om200040z
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C30 H66 B2 Li4 N4 Si4'
_chemical_formula_weight         644.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.587(2)
_cell_angle_beta                 103.302(2)
_cell_angle_gamma                93.817(2)
_cell_formula_units_Z            2
_cell_length_a                   8.9337(12)
_cell_length_b                   14.898(2)
_cell_length_c                   18.102(3)
_cell_measurement_reflns_used    4234
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.33
_cell_volume                     2132.4(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12903
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.162
_exptl_absorpt_correction_T_max  0.9683
_exptl_absorpt_correction_T_min  0.9455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.004
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.487
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         7417
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1379P)^2^+0.1305P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1804
_refine_ls_wR_factor_ref         0.2195
_reflns_number_gt                5211
_reflns_number_total             7417
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200040z_si_001.cif
_cod_data_source_block           mo_dm10144_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2132.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4064318