Crystallography Open Database

Information card for entry 2206088

2206087 << 2206088 >> 2206089

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Structure parameters

Chemical name	4,4'-Bipyridinium bis(3,5-dicarboxybenzoate) benzene-1,3,5-tricarboxylic acid hexahydrate
Formula	C37 H38 N2 O24
Calculated formula	C37 H38 N2 O24
Title of publication	4,4'-Bipyridinium bis(3,5-dicarboxybenzoate) benzene-1,3,5-tricarboxylic acid hexahydrate
Authors of publication	Xin-Hua Li; Xin-Xiang Lei; Shun Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	6
Pages of publication	o1802 - o1804
a	10.9217 ± 0.0007 Å
b	21.5274 ± 0.0017 Å
c	16.4036 ± 0.0011 Å
α	90°
β	91.037 ± 0.001°
γ	90°
Cell volume	3856.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0759
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.215
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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