Crystallography Open Database

Information card for entry 7237131

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Coordinates	7237131.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate
Chemical name	bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate
Formula	C10 H20 Cl2 Cu N16 O10
Calculated formula	C10 H20 Cl2 Cu N16 O10
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	8.4824 ± 0.0004 Å
b	14.4398 ± 0.0005 Å
c	10.7195 ± 0.0005 Å
α	90°
β	109.217 ± 0.005°
γ	90°
Cell volume	1239.81 ± 0.1 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
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	0.0443
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
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.	7237131.cif