Crystallography Open Database

Information card for entry 7214223

Preview

Coordinates	7214223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Mn O5
Calculated formula	C10 H10 Mn O5
Title of publication	Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing
Authors of publication	Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	13
Pages of publication	2766
a	9.2037 ± 0.0003 Å
b	7.9073 ± 0.0002 Å
c	29.7366 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2164.12 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180473 (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 7/21/42.	7214223.cif
108264	2014-03-30	cif/ Adding structures of 7214219, 7214220, 7214221, 7214222, 7214223 via cif-deposit CGI script.	7214223.cif