Crystallography Open Database

Information card for entry 2015408

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Structure parameters

Common name	cadaverinium dichloride
Chemical name	Pentane-1,5-diammonium dichloride
Formula	C5 H16 Cl2 N2
Calculated formula	C5 H16 Cl2 N2
Title of publication	Cadaverinium dichloride: a case of centro‒non-centrosymmetric ambiguity
Authors of publication	Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej
Journal of publication	Acta Crystallographica Section C
Year of publication	2006
Journal volume	62
Journal issue	7
Pages of publication	o399 - o401
a	11.9697 ± 0.0013 Å
b	18.18 ± 0.002 Å
c	4.4626 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	971.1 ± 0.19 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	4
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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