Crystallography Open Database

Information card for entry 2238866

Preview

Coordinates	2238866.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate
Formula	C7 H13 Cr N2 O12
Calculated formula	C7 H13 Cr N2 O12
SMILES	c1c[nH+]c[nH]1.[Cr]12([OH2])(OC(=O)C(=O)O1)([OH2])OC(=O)C(=O)O2.O.O
Title of publication	Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate
Authors of publication	Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m667 - m668
a	10.836 ± 0.001 Å
b	7.5409 ± 0.0007 Å
c	16.349 ± 0.003 Å
α	90°
β	93.52 ± 0.01°
γ	90°
Cell volume	1333.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0311
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
176798 (current)	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.	2238866.cif
92174	2014-01-12	cif/ Adding structures of 2238866 via cif-deposit CGI script.	2238866.cif