Crystallography Open Database

Information card for entry 7210301

Preview

Coordinates	7210301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H7 Mn2 O10 S2
Calculated formula	C14 H7 Mn2 O10 S2
Title of publication	Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties
Authors of publication	Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	30
Pages of publication	6009
a	22.7772 ± 0.0016 Å
b	22.7772 ± 0.0016 Å
c	12.8156 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	6648.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.1221
Weighted residual factors for significantly intense reflections	0.3106
Weighted residual factors for all reflections included in the refinement	0.3353
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180434 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210301.cif
87591	2013-08-27	cif/ Adding structures of 7210298, 7210299, 7210300, 7210301 via cif-deposit CGI script.	7210301.cif