Crystallography Open Database

Information card for entry 7237171

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Coordinates	7237171.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	aqua pentakis(2-aminotetrazole) iron(II) diperchlorate
Chemical name	aqua pentakis(2-aminotetrazole) iron(II) diperchlorate
Formula	C5 H17 Cl2 Fe N25 O9
Calculated formula	C5 H17 Cl2 Fe N25 O9
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	9.477 ± 0.0006 Å
b	9.9109 ± 0.0006 Å
c	15.4054 ± 0.0008 Å
α	75.695 ± 0.005°
β	89.058 ± 0.005°
γ	63.694 ± 0.006°
Cell volume	1249.66 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1369
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7237171.cif