Crystallography Open Database

Information card for entry 8103230

Preview

Coordinates	8103230.cif

Structure parameters

Formula	C10 H21 F3 N2 O3 S Si2
Calculated formula	C10 H21 F3 N2 O3 S Si2
SMILES	S(=O)(=O)([O-])C(F)(F)F.[Si](n1c[n+]([Si](C)(C)C)cc1)(C)(C)C
Title of publication	Crystal structure of 1,3-bis(trimethylsilyl)imidazolium trifluoromethanesulfonate, (C9H21N2Si2)(CF3SO3)
Authors of publication	Carmen Froschauer; Klaus Wurst; Gerhard Laus; Herwig Schottenberger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	545
a	14.6136 ± 0.0004 Å
b	12.5955 ± 0.0005 Å
c	19.9486 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3671.9 ± 0.2 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103230.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103230.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103230.cif
32572	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103230 via cif-deposit CGI script.	8103230.cif