Crystallography Open Database

Information card for entry 1520151

1520150 << 1520151 >> 1520152

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Coordinates	1520151.cif

Structure parameters

Chemical name	Oxalic acid & 4-methylimidazole hydrate
Formula	C10 H16 N4 O5
Calculated formula	C10 H16 N4 O5
SMILES	[O-]C(=O)C(=O)[O-].O.[nH]1c[nH+]c(c1)C.[nH]1c[nH+]c(c1)C
Title of publication	4-Methylimidazolium hemioxalate hydrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	490
a	9.1937 ± 0.0006 Å
b	13.5734 ± 0.0006 Å
c	10.5047 ± 0.0005 Å
α	90°
β	99.252 ± 0.004°
γ	90°
Cell volume	1293.83 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0664
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520151.cif
137592	2015-06-01	cif/ Adding structures of 1520151 via cif-deposit CGI script.	1520151.cif