Crystallography Open Database

Information card for entry 1515486

Preview

Coordinates	1515486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 Mn O3
Calculated formula	C2 H3 Mn O3
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	5.8745 ± 0.0003 Å
b	7.4316 ± 0.0005 Å
c	7.9227 ± 0.0005 Å
α	90°
β	92.414 ± 0.004°
γ	90°
Cell volume	345.57 ± 0.04 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	0.0434
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515486.cif
111831	2014-04-28	cif/ Adding structures of 1515485, 1515486, 1515487, 1515488, 1515489, 1515490 via cif-deposit CGI script.	1515486.cif