Crystallography Open Database

Information card for entry 7237174

Preview

Coordinates	7237174.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hexakis(1-aminotetrazolyl)iron(II) perchlorate
Chemical name	hexakis(1-aminotetrazolyl)iron(II) perchlorate
Formula	C6 H18 Cl2 Fe N30 O8
Calculated formula	C6 H18 Cl2 Fe N30 O8
Title of publication	Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands
Authors of publication	Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	33
Pages of publication	16257
a	18.8934 ± 0.0004 Å
b	18.8934 ± 0.0004 Å
c	6.983 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2158.7 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
237469 (current)	2019-11-24	cif/ Adding structures of 7237167, 7237168, 7237169, 7237170, 7237171, 7237172, 7237173, 7237174, 7237175, 7237176, 7237177, 7237178, 7237179, 7237180, 7237181, 7237182, 7237183, 7237184, 7237185, 7237186 via cif-deposit CGI script.	7237174.cif