Crystallography Open Database

Information card for entry 4510981

Preview

Coordinates	4510981.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Znic 2-(1H-imidazole-yl) propinate
Formula	C12 H14 N4 O4 Zn
Calculated formula	C12 H14 N4 O4 Zn
Title of publication	Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid
Authors of publication	Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2355
a	8.447 ± 0.0012 Å
b	12.5254 ± 0.0017 Å
c	13.3182 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1409.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179656 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/09.	4510981.cif
114459	2014-05-24	cif/ Adding structures of 4510981 via cif-deposit CGI script.	4510981.cif