Crystallography Open Database

Information card for entry 7009651

Preview

Coordinates	7009651.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[KPPh2].1/14(toluene)
Formula	C12.5 H10.57 K P
Calculated formula	C12.4286 H10 K P
Title of publication	Crowded organometallic compounds of the alkali metals with diphenylphosphino substituents in the organic group
Authors of publication	Avent, Anthony G.; Bonafoux, Dominique; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Smith, J. David
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	2183
a	15.1313 ± 0.0002 Å
b	13.7513 ± 0.0002 Å
c	39.8676 ± 0.0006 Å
α	90°
β	94.851 ± 0.001°
γ	90°
Cell volume	8265.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1626
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation probe	x-ray
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.	7009651.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009651.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009651.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009651.cif