Synthesis of μ-Diborolyl Triple-Decker Complexes by Electrophilic Stacking. Similar Bonding Properties of Anions [CpCo(1,3-C3B2H5)]−and Cp−toward Transition Metals†
Siebert, Walter; Kudinov, Alexander R.; Zanello, Piero; Antipin, Mikhail Yu.; Scherban, Vyacheslav V.; Romanov, Alexander S.; Muratov, Dmitry V.; Starikova, Zoya A.; Corsini, Maddalena; Organometallics 28 (2009) 2707–; doi:10.1021/om900032z

data_4069111
_publ_section_title
;
 Synthesis of \m-Diborolyl Triple-Decker Complexes by Electrophilic
 Stacking. Similar Bonding Properties of Anions
 [CpCo(1,3-C3B2H5)]&#x2212;and Cp&#x2212;toward Transition Metals&#x2020;
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2707
_journal_paper_doi               10.1021/om900032z
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C18 H25 B2 Co Ru'
_chemical_formula_sum            'C18 H25 B2 Co Ru'
_chemical_formula_weight         423.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 98.456(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.0993(7)
_cell_length_b                   10.6819(9)
_cell_length_c                   10.3270(9)
_cell_measurement_reflns_used    4425
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.92
_cell_measurement_theta_min      2.71
_cell_volume                     883.74(13)
_computing_cell_refinement       'SAINTPlus (Bruker, 1998a)'
_computing_data_collection       'SMART (Bruker, 1998b)'
_computing_data_reduction        'SAINTPlus (Bruker, 1998a)'
_computing_molecular_graphics    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_publication_material  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_refinement  'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_computing_structure_solution    'SHELXTL ver. 5.1 (Sheldrick, 1998b)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5597
_diffrn_reflns_theta_full        26.97
_diffrn_reflns_theta_max         26.97
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    1.785
_exptl_absorpt_correction_T_max  0.770
_exptl_absorpt_correction_T_min  0.420
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1998a)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.164
_refine_diff_density_min         -1.126
_refine_diff_density_rms
;0.105  
Bruker (1998a). SAINTPlus. Data Reduction and Correction Program v. 6.01,
Bruker AXS, Madison, Wisconsin, USA. 

Bruker (1998b). SMART. Bruker Molecular Analysis Research Tool, 
v. 5.059. Bruker AXS, Madison, Wisconsin, USA. 

Sheldrick G.M. (1998a). SADABS v.2.01, Bruker/Siemens Area Detector 
Absorption Correction Program, Bruker AXS, Madison, Wisconsin, USA. 

Sheldrick G.M. (1998b). SHELXTL v. 5.10, Structure Determination Software 
Suite, Bruker AXS, Madison, Wisconsin, USA. 
;
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         2021
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0300
_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^)+(0.0137P)^2^+2.9308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0699
_refine_ls_wR_factor_ref         0.0716
_reflns_number_gt                1886
_reflns_number_total             2021
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om900032z_si_002.cif
_cod_data_source_block           zo
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4069111