Crystallography Open Database

Information card for entry 7237127

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Coordinates	7237127.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide
Chemical name	tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide
Formula	C15 H24 Cu N30 O8
Calculated formula	C15 H24 Cu N30 O8
Title of publication	Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles
Authors of publication	Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	15
Pages of publication	6565
a	27.0187 ± 0.001 Å
b	18.508 ± 0.0006 Å
c	15.4569 ± 0.0005 Å
α	90°
β	124.91 ± 0.001°
γ	90°
Cell volume	6338.5 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
237434 (current)	2019-11-24	cif/ Adding structures of 7237120, 7237121, 7237122, 7237123, 7237124, 7237125, 7237126, 7237127, 7237128, 7237129, 7237130, 7237131, 7237132 via cif-deposit CGI script.	7237127.cif