Crystallography Open Database

Information card for entry 4131928

4131927 << 4131928 >> 4131929

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Coordinates	4131928.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dichlorato bis(ditetrazolylpropane copper(II)
Chemical name	dichlorato bis(ditetrazolylpropane copper(II)
Formula	C10 H16 Cl2 Cu N16 O6
Calculated formula	C10 H16 Cl2 Cu N16 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	14.6638 ± 0.0007 Å
b	8.9883 ± 0.0005 Å
c	16.3538 ± 0.0008 Å
α	90°
β	90.324 ± 0.005°
γ	90°
Cell volume	2155.44 ± 0.19 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	0.0667
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4131928.cif