Pentaborate(1-) salts templated by substituted pyrrolidinium cations: synthesis, structural characterization, and modelling of solid-state H-bond interactions by DFT calculations.
Beckett, Michael A.; Coles, Simon J.; Davies, R. Andrew; Horton, Peter N.; Jones, Charlotte L.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7032–7040; doi:10.1039/c5dt00248f

data_7034359
_publ_section_title
;
 Pentaborate(1-) salts templated by substituted pyrrolidinium cations:
 synthesis, structural characterization, and modelling of solid-state
 H-bond interactions by DFT calculations.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7032
_journal_page_last               7040
_journal_paper_doi               10.1039/c5dt00248f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'B5 H4 O10, C5 H12 N, 0.5(C3 H6 O)'
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_symmetry_space_group_name_Hall  '-C 2yc'
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2015-01-15 deposited with the CCDC.
2015-02-17 downloaded from the CCDC.
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Rigaku CrystalClear-SM Expert 3.1 b18
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Rigaku CrystalClear-SM Expert 3.1 b18
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Rigaku CrystalClear-SM Expert 3.1 b18
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Rigaku CrystalClear-SM Expert 3.1 b18
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'w=1/[\s^2^(Fo^2^)+(0.0497P)^2^+1.4935P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c5dt00248f6.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3105 2015-03-04 15:46:00Z robertas 

 Adding full bibliography for 7034358--7034361.cif.
;
_cod_original_formula_sum        'C6.50 H19 B5 N O10.50'
_cod_database_code               7034359
_shelx_estimated_absorpt_t_min   0.977
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