Crystallography Open Database

Information card for entry 7025949

Preview

Coordinates	7025949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H45 Al K2 N2 O Si2
Calculated formula	C27 H45 Al K2 N2 O Si2
SMILES	[Al]1([N]([Si](C)(C)C)=C(C=C(N1[Si](C)(C)C)c1ccccc1)c1ccccc1)(C)C.[K+].[K+].O(CC)CC
Title of publication	Crystalline di- or trianionic metal (Al, Sm) beta-diketiminates.
Authors of publication	Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Protchenko, Andrey V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	28
Pages of publication	6426 - 6433
a	13.8525 ± 0.0007 Å
b	14.1721 ± 0.0008 Å
c	16.9078 ± 0.0007 Å
α	90°
β	101.807 ± 0.003°
γ	90°
Cell volume	3249.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.081
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179965 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/59.	7025949.cif
93362	2014-01-13	cif/ Adding structures of 7025949, 7025950, 7025951, 7025952 via cif-deposit CGI script.	7025949.cif