Crystallography Open Database

Information card for entry 1542540

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Structure parameters

Chemical name	Caesium tetramethylammonium dodecahydro-<i>closo</i>-dodecaborate monohydrate
Formula	C4 H26 B12 Cs N O
Calculated formula	C4 H26 B12 Cs N O
Title of publication	Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate
Authors of publication	Tiritiris, Ioannis; Schleid, Thomas
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	2
Pages of publication	x160291
a	8.9771 ± 0.0005 Å
b	12.868 ± 0.0008 Å
c	14.5449 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1680.19 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181861 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1.	1542540.cif 1542540.hkl
176884	2016-02-25	cif/ hkl/ Adding structures of 1542540 via cif-deposit CGI script.	1542540.cif 1542540.hkl