Crystallography Open Database

Information card for entry 4131925

4131924 << 4131925 >> 4131926

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Coordinates	4131925.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diaqua bis(ditetrazolyl)propane copper(II) chlorate
Chemical name	diaqua bis(ditetrazolyl)propane copper(II) chlorate
Formula	C10 H20 Cl2 Cu N16 O8
Calculated formula	C10 H20 Cl2 Cu N16 O8
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	15.0672 ± 0.0005 Å
b	9.0113 ± 0.0003 Å
c	17.5426 ± 0.0006 Å
α	90°
β	97.696 ± 0.003°
γ	90°
Cell volume	2360.39 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0352
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4131925.cif