Crystallography Open Database

Information card for entry 8107191

Preview

Coordinates	8107191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Cl2 N2 O8
Calculated formula	C12 H14 Cl2 N2 O8
Title of publication	The crystal structure of 1,2-bis(pyridinium-4-yl)ethane diperchlorate, C12H14N2·2ClO4 – a second polymorph
Authors of publication	Qiu, Qi-Ming; Song, Jian-Biao; Yan, Li; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	695 - 696
a	5.317 ± 0.0004 Å
b	12.8711 ± 0.0008 Å
c	11.6788 ± 0.0007 Å
α	90°
β	100.888 ± 0.002°
γ	90°
Cell volume	784.86 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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