Definitive crystal structure of 1,1'-bis[1,2-dicarba-<i>closo</i>-dodecaborane(11)]
Man, Wing Y.; Rosair, Georgina M.; Welch, Alan J.; Acta Crystallographica Section E 70 (2014) 462–465; doi:10.1107/S1600536814023897

data_2240171
_publ_section_title
;
 Definitive crystal structure of
 1,1'-bis[1,2-dicarba-<i>closo</i>-dodecaborane(11)]
;
_journal_coeditor_code           PK2536
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              462
_journal_page_last               465
_journal_paper_doi               10.1107/S1600536814023897
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C4 H22 B20'
_chemical_formula_sum            'C4 H22 B20'
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_chemical_name_systematic        ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method
;
Olex2 1.2
(compiled 2014.09.19 svn.r3010 for OlexSys, GUI svn.r4874)
;
_cell_angle_alpha                90
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_cell_length_b                   9.7667(6)
_cell_length_c                   12.4071(8)
_cell_measurement_reflns_used    7872
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.474
_cell_measurement_theta_min      3.284
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;
APEX2 (Bruker, 2009)
;
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SAINT (Bruker, 2009)
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SAINT (Bruker, 2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2008)
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SHELXS97 (Sheldrick, 2008)
;
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_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0288
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         33.586
_diffrn_reflns_theta_min         2.654
_exptl_absorpt_coefficient_mu    0.045
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_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+0.1013P] where P=(Fo^2^+2Fc^2^)/3'
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