Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide free, electrolytes for rechargeable Mg batteries.
McArthur, Scott G.; Jay, Rahul; Geng, Linxiao; Guo, Juchen; Lavallo, Vincent; Chemical communications (Cambridge, England) 53 (2017) 4453–4456; doi:10.1039/c7cc01570d

data_7119871
_publ_section_title
;
 Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide
 free, electrolytes for rechargeable Mg batteries.
;
_journal_issue                   32
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4453
_journal_page_last               4456
_journal_paper_doi               10.1039/c7cc01570d
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C14 H50 B18 Mg O6'
_chemical_formula_weight         533.43
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-01-26 deposited with the CCDC.
2017-03-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_length_c                   14.3738(7)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.38
_cell_volume                     3181.9(3)
_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'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_crystal_description       'prism frag'
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_exptl_crystal_size_max          0.495
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_refine_ls_abs_structure_details
; 
 Flack x determined using 3969 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^+0.3425P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0811
_refine_ls_wR_factor_ref         0.0852
_reflns_Friedel_coverage         0.929
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_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                9094
_reflns_number_total             10124
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc01570d2.cif
_cod_data_source_block           vL170SM_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7119871.cif.
;
_cod_database_code               7119871
_shelx_estimated_absorpt_t_min   0.959
_shelx_estimated_absorpt_t_max   0.983
_shelxl_version_number           2013-4
_shelx_res_checksum              34733