Crystallography Open Database

Information card for entry 7237125

Preview

Coordinates	7237125.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-ditetrazolylpropane copper(II) perchlorate
Chemical name	1,2-ditetrazolylpropane copper(II) perchlorate
Formula	C30 H48 Cl4 Cu2 N48 O16
Calculated formula	C30 H48 Cl4 Cu2 N48 O16
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	13.226 ± 0.0006 Å
b	13.786 ± 0.0008 Å
c	20.222 ± 0.0008 Å
α	99.253 ± 0.004°
β	102.001 ± 0.004°
γ	114.596 ± 0.005°
Cell volume	3150 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0893
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1665
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	7237125.cif