Crystallography Open Database

Information card for entry 1520167

1520166 << 1520167 >> 1520168

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Coordinates	1520167.cif

Structure parameters

Chemical name	maleic acid & TEMED
Formula	C14 H24 N2 O8
Calculated formula	C14 H24 N2 O8
SMILES	[O-]C(=O)/C=C\C(=O)O.O=C([O-])/C=C\C(=O)O.[NH+](C)(CC[NH+](C)C)C
Title of publication	Hemi-tetramethylethylenediammonium maleate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	511
a	5.7536 ± 0.0006 Å
b	14.855 ± 0.002 Å
c	10.1829 ± 0.0015 Å
α	90°
β	100.799 ± 0.009°
γ	90°
Cell volume	854.92 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1739
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	1520167.cif
137613	2015-06-01	cif/ Adding structures of 1520167 via cif-deposit CGI script.	1520167.cif