Crystallography Open Database

Information card for entry 7008246

Preview

Coordinates	7008246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 K N O0.5
Calculated formula	C13 H12 K N O0.5
Title of publication	Structural studies of group 1 metal 4-azapentalenyl complexes.
Authors of publication	Bermingham, Michael J.; Cloke, F Geoffrey N; Gardiner, Michael G.; Hitchcock, Peter B.; Wise, Lauren E.; Yates, Brian F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	7
Pages of publication	1157 - 1158
a	17.6808 ± 0.0002 Å
b	10.2199 ± 0.0002 Å
c	12.4844 ± 0.0004 Å
α	90°
β	102.135 ± 0.001°
γ	90°
Cell volume	2205.47 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation probe	x-ray
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
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.	7008246.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008246.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008246.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008246.cif