Crystallography Open Database

Information card for entry 4510982

Preview

Coordinates	4510982.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cobalt 2-(1H-imidazole-yl) propinate
Formula	C12 H14 Co N4 O4
Calculated formula	C12 H14 Co N4 O4
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	8.3992 ± 0.001 Å
b	12.6546 ± 0.0016 Å
c	13.3111 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1414.8 ± 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	0.0426
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4510982.cif
114460	2014-05-24	cif/ Adding structures of 4510982 via cif-deposit CGI script.	4510982.cif