Crystallography Open Database

Information card for entry 4131934

4131933 << 4131934 >> 4131935

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Coordinates	4131934.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tris(ditetrazolylpropyl) copper(II) chlorate
Chemical name	tris(ditetrazolylpropyl) copper(II) chlorate'
Formula	C15 H24 Cl2 Cu N24 O6
Calculated formula	C15 H24 Cl2 Cu N24 O6
Title of publication	Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.
Authors of publication	Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	9
Pages of publication	3206 - 3209
a	10.9642 ± 0.0002 Å
b	10.9642 ± 0.0002 Å
c	14.3772 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1496.78 ± 0.06 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
242010 (current)	2019-11-25	cif/ Adding structures of 4131925, 4131926, 4131927, 4131928, 4131929, 4131930, 4131931, 4131932, 4131933, 4131934 via cif-deposit CGI script.	4131934.cif