Crystallography Open Database

Information card for entry 7209290

7209289 << 7209290 >> 7209291

Preview

Coordinates	7209290.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Imidazolium L-Tartrate
Formula	C7 H10 N2 O6
Calculated formula	C7 H10 N2 O6
SMILES	[O-]C(=O)[C@H](O)[C@@H](O)C(=O)O.[nH]1cc[nH+]c1
Title of publication	Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold
Authors of publication	Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2157
a	7.577 ± 0.003 Å
b	6.894 ± 0.002 Å
c	8.927 ± 0.004 Å
α	90°
β	102.174 ± 0.005°
γ	90°
Cell volume	455.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180423 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92.	7209290.cif
75574	2013-03-10	cif/ Adding structures of 7209290 via cif-deposit CGI script.	7209290.cif