Crystallography Open Database

Information card for entry 4510983

Preview

Coordinates	4510983.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	manganese 2-(1H-imidazole-yl) propinate
Formula	C12 H14 Mn N4 O4
Calculated formula	C12 H14 Mn 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	15.215 ± 0.002 Å
b	5.0455 ± 0.0007 Å
c	16.937 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1300.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	4510983.cif
114461	2014-05-24	cif/ Adding structures of 4510983 via cif-deposit CGI script.	4510983.cif