Crystallography Open Database

Information card for entry 8106979

Preview

Coordinates	8106979.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4'bipiperidinium dichloride 0.12 hydrate
Formula	C10 H22.24 Cl2 N2 O0.12
Calculated formula	C10 H22.24 Cl2 N2 O0.12
Title of publication	Crystal structure of 4,4′-bipiperidinium dichloride 0.12 hydrate, C10H22N2Cl2 · 0.12 H2O
Authors of publication	Socha, Paweƚ; Dobrzycki, Lukasz
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	3
Pages of publication	693 - 694
a	9.6661 ± 0.0008 Å
b	7.3063 ± 0.0006 Å
c	19.327 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1364.94 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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