Crystallography Open Database

Information card for entry 4108210

Preview

Coordinates	4108210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 I4 Mn7 O24
Calculated formula	C29 I4 Mn7 O24
Title of publication	Mixed-Valent Mn Supertetrahedra and Planar Discs as Enhanced Magnetic Coolers
Authors of publication	Maria Manoli; Anna Collins; Simon Parsons; Andrea Candini; Marco Evangelisti; Euan K. Brechin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11129 - 11139
a	13.1676 ± 0.0004 Å
b	22.4 ± 0.0006 Å
c	21.4912 ± 0.0006 Å
α	90°
β	91.92 ± 0.002°
γ	90°
Cell volume	6335.4 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2025
Residual factor for significantly intense reflections	0.167
Weighted residual factors for all reflections	0.3949
Weighted residual factors for significantly intense reflections	0.3676
Weighted residual factors for all reflections included in the refinement	0.3949
Goodness-of-fit parameter for all reflections included in the refinement	1.0398
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
178828 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/82.	4108210.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108210.cif
56547	2012-05-11	cif/ Adding structures of 4108210 via cif-deposit CGI script.	4108210.cif