Crystallography Open Database

Information card for entry 1515490

Preview

Coordinates	1515490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H32 Mn4 O14
Calculated formula	C21 H32 Mn4 O14
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	5.0585 ± 0.0003 Å
b	12.4647 ± 0.0007 Å
c	20.8241 ± 0.0009 Å
α	90.848 ± 0.004°
β	90.047 ± 0.004°
γ	90.77 ± 0.005°
Cell volume	1312.75 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1955
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1515490.cif
111831	2014-04-28	cif/ Adding structures of 1515485, 1515486, 1515487, 1515488, 1515489, 1515490 via cif-deposit CGI script.	1515490.cif