Crystallography Open Database

Information card for entry 2103833

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Structure parameters

Chemical name	4,4'-Bipyridyl–maleic acid (1/2)
Formula	C18 H16 N2 O8
Calculated formula	C18 H16 N2 O8
SMILES	C(=O)(/C=C\C(=O)O)[O-].c1cc(cc[nH+]1)c1cc[nH+]cc1.C(=O)(/C=C\C(=O)O)[O-]
Title of publication	Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
Authors of publication	Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	100 - 117
a	24.037 ± 0.0016 Å
b	6.7434 ± 0.0006 Å
c	11.4388 ± 0.001 Å
α	90°
β	115.996 ± 0.004°
γ	90°
Cell volume	1666.5 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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