Crystallography Open Database

Information card for entry 7719030

7719029 << 7719030 >> 7719031

Preview

Coordinates	7719030.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(1-amino-5-nitraminotetrazolato) bis(di(5H-tetrazol-1-yl)ethane) copper(II)
Chemical name	bis(1-amino-5-nitraminotetrazolato) bis(di(5H-tetrazol-1-yl)ethane) copper(II)
Formula	C10 H16 Cu N30 O4
Calculated formula	C10 H16 Cu N30 O4
Title of publication	1-Amino-5-nitriminotetrazolate as a promising anion in safe yet powerful energetic coordination compounds.
Authors of publication	Benz, Maximilian; Endraß, Simon M J; Klapötke, Thomas M; Stierstorfer, Jörg; Strey, Sadiq
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	15
Pages of publication	6156 - 6166
a	8.5508 ± 0.0002 Å
b	11.393 ± 0.0003 Å
c	12.2836 ± 0.0003 Å
α	90°
β	93.955 ± 0.001°
γ	90°
Cell volume	1193.81 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
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	0.049
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
300364 (current)	2025-07-05	cif/ Adding structures of 7719023, 7719024, 7719025, 7719026, 7719027, 7719028, 7719029, 7719030 via cif-deposit CGI script.	7719030.cif