Crystallography Open Database

Information card for entry 2239482

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Structure parameters

Chemical name	(Dimethylphosphoryl)methanaminium hydrogen oxalate; oxalic acid
Formula	C6 H13 N O7 P
Calculated formula	C6 H13 N O7 P
Title of publication	(Dimethylphosphoryl)methanaminium hydrogen oxalate‒oxalic acid (2/1)
Authors of publication	Bialek, Sebastian; Clemens, Rebecca; Reiss, Guido J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	3
Pages of publication	o312
a	11.1482 ± 0.0006 Å
b	13.0903 ± 0.0007 Å
c	7.0432 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1027.84 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181894 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94.	2239482.cif 2239482.hkl
181313	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94.	2239482.cif 2239482.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239482.cif 2239482.hkl
110765	2014-04-19	cif/ hkl/ Adding structures of 2239482 via cif-deposit CGI script.	2239482.cif 2239482.hkl