Crystallography Open Database

Information card for entry 7110563

Preview

Coordinates	7110563.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(dimethylamino)phosphiniminium 7,8-dicarba-nido-undecaborane
Formula	C8 H32 B9 N4 P
Calculated formula	C8 H32 B9 N4 P
Title of publication	Deboronation of ortho-carborane by an iminophosphorane: crystal structures of the novel carborane adduct nido-C2B10H12·HNP(NMe2)3 and the borenium salt [(Me2N)3PNHBNP(NMe2)3]2O2+(C2B9H12−)2
Authors of publication	Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Neretin, Ivan S.; Wade, Kenneth
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	17
Pages of publication	1649
a	11.58 ± 0.002 Å
b	13.182 ± 0.003 Å
c	12.385 ± 0.002 Å
α	90°
β	91.88 ± 0.05°
γ	90°
Cell volume	1889.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180219 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/05.	7110563.cif
95401	2014-01-28	cif/ Adding structures of 7110562, 7110563, 7110564 via cif-deposit CGI script.	7110563.cif