Crystallography Open Database

Information card for entry 8105285

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Coordinates	8105285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 N2 O8
Calculated formula	C13 H13 N2 O8
Title of publication	The crystal structure of 4,4′-bipyridinium bis(3-carboxy-2-nitrobenzoate) tetrahydrate, C13H13N2O8
Authors of publication	Chai, Chun-Xia; Peng, Peng; Cai, Bin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	779 - 781
a	7.859 ± 0.0006 Å
b	9.3108 ± 0.0008 Å
c	11.0816 ± 0.0008 Å
α	66.95 ± 0.003°
β	71.558 ± 0.003°
γ	77.203 ± 0.004°
Cell volume	703.38 ± 0.1 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149.44 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.0544
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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