Crystallography Open Database

Information card for entry 8100961

Preview

Coordinates	8100961.cif
External links	ChemSpider

Structure parameters

Formula	C30 H66 B2 N4 O8
Calculated formula	C30 H66 B2 N4 O8
SMILES	[B-](OC)(OC)(OC)OC.[B-](OC)(OC)(OC)OC.c1n(c(c(C)[n+]1C(C)C)C)C(C)C.c1n(c(c(C)[n+]1C(C)C)C)C(C)C
Title of publication	Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazolium tetramethoxyborate, [C~11~H~21~N~2~][B(OCH~3~)~4~]
Authors of publication	Kuhn, N.; Steimann, M.; Weyers, G.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	2
Pages of publication	315 - 317
a	8.4173 ± 0.0014 Å
b	15.849 ± 0.004 Å
c	16.387 ± 0.005 Å
α	61.373 ± 0.011°
β	85.73 ± 0.017°
γ	84.884 ± 0.014°
Cell volume	1909.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8100961.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100961.cif
103185	2014-02-27	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100961.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100961.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100961.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	8100961.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100961.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100961.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100961.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100961.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100961.cif