Crystallography Open Database

Information card for entry 4508863

Preview

Coordinates	4508863.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pyridine-2,3,5,6-tetracarboxylic acid
Formula	C9 H9 N O10
Calculated formula	C9 H9 N O10
Title of publication	Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality
Authors of publication	Babu, N. Jagadeesh; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	8
Pages of publication	1753
a	5.5412 ± 0.0011 Å
b	6.3763 ± 0.0013 Å
c	9.071 ± 0.0018 Å
α	110.23 ± 0.03°
β	91.99 ± 0.03°
γ	106.39 ± 0.03°
Cell volume	285.38 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0427
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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