Crystallography Open Database

Information card for entry 7210299

Preview

Coordinates	7210299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Mn3 N3 O15 S3
Calculated formula	C30 H27 Mn3 N3 O15 S3
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	16.4733 ± 0.0012 Å
b	10.6596 ± 0.0006 Å
c	21.7791 ± 0.0013 Å
α	90°
β	92.688 ± 0.005°
γ	90°
Cell volume	3820.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.2088
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
180433 (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 7/21/02.	7210299.cif
87591	2013-08-27	cif/ Adding structures of 7210298, 7210299, 7210300, 7210301 via cif-deposit CGI script.	7210299.cif