Crystallography Open Database

Information card for entry 7237181

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Coordinates	7237181.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(2-aminotetrazolyl) dinitrato copper(II)
Chemical name	bis(2-aminotetrazolyl) dinitrato copper(II)
Formula	C2 H6 Cu N12 O6
Calculated formula	C2 H6 Cu N12 O6
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	7.9953 ± 0.0008 Å
b	8.9746 ± 0.0008 Å
c	8.0033 ± 0.0009 Å
α	90°
β	107.469 ± 0.012°
γ	90°
Cell volume	547.79 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.026
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
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.	7237181.cif