Crystallography Open Database

Information card for entry 7011191

Preview

Coordinates	7011191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H17.5 B4.5 N
Calculated formula	C6.02 H17.02 B4.5 N
Title of publication	Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9-C2B9H12−
Authors of publication	Fox, Mark A.; Goeta, Andrés E.; Hughes, Andrew K.; Johnson, Andrew L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	10
Pages of publication	2132
a	6.517 ± 0.001 Å
b	8.799 ± 0.002 Å
c	9.158 ± 0.002 Å
α	65.513 ± 0.003°
β	85.279 ± 0.003°
γ	83.91 ± 0.003°
Cell volume	474.79 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1469
Weighted residual factors for all reflections included in the refinement	0.1521
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011191.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011191.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011191.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011191.cif