Crystallography Open Database

Information card for entry 7217313

Preview

Coordinates	7217313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.875 H55.75 Mn3 O14 S4
Calculated formula	C57.875 H55.5 Mn3 O14 S4
Title of publication	Synthesis, crystal structure and magnetic properties of a trinuclear phenolate bridged manganese complex containing Mn(II)-Mn(III) ions
Authors of publication	Bikas, Rahman; Hosseini-Monfared, Hassan; Sanchiz, Joaquin; Siczek, Milosz; Lis, Tadeusz
Journal of publication	RSC Advances
Year of publication	2014
a	13.263 ± 0.005 Å
b	19.962 ± 0.008 Å
c	21.953 ± 0.009 Å
α	86.49 ± 0.05°
β	88.31 ± 0.05°
γ	89.3 ± 0.05°
Cell volume	5798 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2269
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.2006
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180504 (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 7/21/73.	7217313.cif
121117	2014-08-05	cif/ Adding structures of 7217313 via cif-deposit CGI script.	7217313.cif