First Dinuclear B(II) Monocations with Bridging Guanidinate Ligands: Synthesis and Properties
Oxana Ciobanu; Dimitri Emeljanenko; Elisabeth Kaifer; Jürgen Mautz; Hans-Jörg Himmel; Inorganic Chemistry 47 (2008) 4774–4778; doi:10.1021/ic8000812

data_4304961
_publ_contact_author
;
       Prof. Dr. Dr. Hans-Joerg Himmel
       Anorganisch-Chemisches Institut
       Ruprecht-Karls Universitaet Heidelberg
       Im Neuenheimer Feld 270
       69120 Heidelberg
       Germany
;
_publ_contact_author_email       hans-jorg.himmel@aci.uni-heidelberg.de
_publ_contact_author_fax         '049 6221 54-5707'
_publ_contact_author_phone       '049 6221 54-8446'
_publ_section_title
;
First Dinuclear B(II) Monocations with Bridging Guanidinate Ligands:
Synthesis and Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4774
_journal_page_last               4778
_journal_paper_doi               10.1021/ic8000812
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C19 H39 B2 Cl3 N8'
_chemical_formula_weight         507.55
_chemical_name_systematic
;                                                                             
 ?                                                                            
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                74.73(3)
_cell_angle_beta                 83.49(3)
_cell_angle_gamma                62.60(3)
_cell_formula_units_Z            2
_cell_length_a                   9.859(2)
_cell_length_b                   10.313(2)
_cell_length_c                   14.883(3)
_cell_measurement_temperature    200
_cell_volume                     1296.0(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'NONIUS KAPPA CCD'
_diffrn_measurement_method       'O-Scan    '
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            48680
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.378
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.783
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         5767
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0993
_refine_ls_R_factor_gt           0.0635
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1001P)^2^+0.9755P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1626
_refine_ls_wR_factor_ref         0.1965
_reflns_number_gt                3957
_reflns_number_total             5767
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8000812-file001_2.cif
_cod_data_source_block           ox02
_cod_original_cell_volume        1296.0(5)
_cod_database_code               4304961