Crystal structure of 1,1'-bis[1,7-dicarba-<i>closo</i>-dodecaborane(11)]
Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.; Acta Crystallographica Section E 70 (2014) 376–378; doi:10.1107/S1600536814022132

data_2240097
_publ_section_title
;
 Crystal structure of 1,1'-bis[1,7-dicarba-<i>closo</i>-dodecaborane(11)]
;
_journal_coeditor_code           HB7290
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              376
_journal_page_last               378
_journal_paper_doi               10.1107/S1600536814022132
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C4 H22 B20'
_chemical_formula_moiety         'C4 H22 B20'
_chemical_formula_sum            'C4 H22 B20'
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_chemical_name_systematic
;
1,1'-Bis[1,7-dicarba-<i>closo</i>-dodecaborane(11)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
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Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
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_cell_length_b                   6.8308(7)
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_cell_measurement_temperature    100
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SAINT (Bruker, 2009)
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APEX2 (Bruker, 2009)
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SAINT (Bruker, 2009)
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SHELXTL (Sheldrick, 2008)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL97 (Sheldrick, 2008)
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SHELXS97 (Sheldrick, 2008)
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoKa
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_theta_max         33.014
_diffrn_reflns_theta_min         3.358
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.046
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.38
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0690
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0689P)^2^+0.3243P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_res_checksum              65528
_shelxl_version_number           2014-3