Crystallography Open Database

Information card for entry 7008780

Preview

Coordinates	7008780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cl3 Ho N4 O3
Calculated formula	C12 H14 Cl3 Ho N4 O3
SMILES	[Ho]123(Cl)(Cl)(Cl)[n]4c5c([OH]1)cccc5ccc4C=[N]2NC(=[O]3)N.OC
Title of publication	2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions
Authors of publication	Albrecht, Markus; Osetska, Olga; Fröhlich, Roland
Journal of publication	Dalton Transactions
Year of publication	2005
Journal issue	23
Pages of publication	3757
a	8.001 ± 0.001 Å
b	19.276 ± 0.001 Å
c	11.01 ± 0.001 Å
α	90°
β	95.35 ± 0.01°
γ	90°
Cell volume	1690.6 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	6
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	0.0393
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179791 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/87.	7008780.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008780.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008780.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008780.cif