Crystallography Open Database

Information card for entry 1508398

Preview

Coordinates	1508398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 Br3 Cu2 N
Calculated formula	C5 H12 Br3 Cu2 N
Title of publication	(C5H12N)Cu2Br3: A Piperidinium Copper(I) Bromide with [Cu2Br3]? Ladders
Authors of publication	Komm, Theresa; Biner, Daniel; Neels, Antonia; Kramer, Karl W.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	4
Pages of publication	1434 - 1440
a	6.2948 ± 0.001 Å
b	8.2624 ± 0.0014 Å
c	10.7612 ± 0.0017 Å
α	75.964 ± 0.019°
β	89.232 ± 0.019°
γ	84.072 ± 0.019°
Cell volume	540.04 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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