Crystallography Open Database

Information card for entry 7217640

Preview

Coordinates	7217640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 K2 Mn O26 S4
Calculated formula	C28 H32 K2 Mn O26 S4
SMILES	C(=O)(c1ccc(S(=O)(O[Mn](OS(c2ccc(C(=O)O)cc2)(=O)=O)(OS(=O)(=O)c2ccc(C(=O)O)cc2)(OS(=O)(=O)c2ccc(C(=O)O)cc2)([OH2])[OH2])=O)cc1)O.[K+].[K+].O.O.O.O
Title of publication	Preparation and topological properties of two structures with p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.
Authors of publication	Franco, Chris Hebert J.; Aglio, Renata C.; Corrêa, Charlane Cimini; Diniz, Renata
Journal of publication	RSC Advances
Year of publication	2014
a	8.055 ± 0.0005 Å
b	10.152 ± 0.0007 Å
c	12.541 ± 0.0008 Å
α	99.084 ± 0.006°
β	95.358 ± 0.005°
γ	106.09 ± 0.006°
Cell volume	962.78 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0862
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
180507 (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 7/21/76.	7217640.cif
121783	2014-08-08	cif/ Adding structures of 7217639, 7217640 via cif-deposit CGI script.	7217640.cif