Crystallography Open Database

Information card for entry 2206700

2206699 << 2206700 >> 2206701

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206700.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Lithium hydrogen iodofumarate monohydrate
Chemical name	poly[[aqualithium(I)]-μ~3~-iodofumarato]
Formula	C4 H4 I Li O5
Calculated formula	C4 H4 I Li O5
SMILES	IC(=C\C(=O)O)/C(=O)[O-].O.[Li+]
Title of publication	Lithium hydrogen iodofumarate monohydrate
Authors of publication	Billetter, Heinrich; Pantenburg, Ingo; Ruschewitz, Uwe
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1857 - m1859
a	7.5649 ± 0.0015 Å
b	6.7833 ± 0.0008 Å
c	15.502 ± 0.003 Å
α	90°
β	101.98 ± 0.02°
γ	90°
Cell volume	778.2 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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