Crystallography Open Database

Information card for entry 1515488

Preview

Coordinates	1515488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Mn2 O6
Calculated formula	C7 H12 Mn2 O6
Title of publication	Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
Authors of publication	Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	10
Pages of publication	1929
a	8.1123 ± 0.001 Å
b	9.3629 ± 0.0011 Å
c	13.462 ± 0.0018 Å
α	90°
β	94.88 ± 0.007°
γ	90°
Cell volume	1018.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2423
Weighted residual factors for all reflections included in the refinement	0.252
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515488.cif
111831	2014-04-28	cif/ Adding structures of 1515485, 1515486, 1515487, 1515488, 1515489, 1515490 via cif-deposit CGI script.	1515488.cif