Crystallography Open Database

Information card for entry 7112547

Preview

Coordinates	7112547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Al N4
Calculated formula	C23 H21 Al N4
Title of publication	Paramagnetic aluminium β-diketiminate.
Authors of publication	Moilanen, Jani; Borau-Garcia, Javier; Roesler, Roland; Tuononen, Heikki M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	71
Pages of publication	8949 - 8951
a	13.381 ± 0.0009 Å
b	9.413 ± 0.0004 Å
c	15.604 ± 0.001 Å
α	90°
β	90.54 ± 0.002°
γ	90°
Cell volume	1965.3 ± 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	0.1035
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180239 (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 7/11/25.	7112547.cif
110813	2014-04-20	cif/ Adding structures of 7112547 via cif-deposit CGI script.	7112547.cif