Crystallography Open Database

Information card for entry 4341904

4341903 << 4341904 >> 4341905

Preview

Coordinates	4341904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 Mn Na5 O24
Calculated formula	C8 H28 Mn Na5 O24
SMILES	C1(=O)O[Mn]234(O[C@H]([C@H](C(=O)[O-])O2)C(=O)O3)O[C@@H]1[C@H](C(=O)[O-])O4.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Title of publication	Field-Induced Slow Relaxation in a Monometallic Manganese(III) Single-Molecule Magnet.
Authors of publication	Craig, Gavin A.; Marbey, Jonathan J.; Hill, Stephen; Roubeau, Olivier; Parsons, Simon; Murrie, Mark
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	13 - 15
a	20.103 ± 0.005 Å
b	6.798 ± 0.0013 Å
c	9.611 ± 0.002 Å
α	90°
β	112.375 ± 0.008°
γ	90°
Cell volume	1214.6 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for all reflections	0.0764
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	0.9465
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341904.cif
130615	2015-02-04	cif/ Updating files of 4341904 Original log message: Adding full bibliography for 4341904.cif.	4341904.cif
128612	2014-12-13	cif/ Adding structures of 4341904 via cif-deposit CGI script.	4341904.cif