Crystallography Open Database

Information card for entry 4030497

Preview

Coordinates	4030497.cif

Structure parameters

Formula	C12 H30 B20
Calculated formula	C12 B20
SMILES	[C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)Cc1ccccc1C[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
Title of publication	organofunctionalized derivatives of alpha-carborane as molecular precursors to non-oxide ceramics of boron
Authors of publication	Johnson, S. E.; Gomez, F. A.; Hawthorne, M. F.; Thorne, K. J.; Mackenzie, J. D.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1992
Journal volume	29
Journal issue	Supp
Pages of publication	113 - 125
a	6.7064 ± 0.0004 Å
b	11.229 ± 0.0006 Å
c	30.71 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2312.7 ± 0.2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P c 21 n
Hall space group symbol	P -2n -2ac
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178483 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/04.	4030497.cif
130166	2015-01-28	cif/ Adding structures of 4030497 via cif-deposit CGI script.	4030497.cif