Crystallography Open Database

Information card for entry 4108206

Preview

Coordinates	4108206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H212 Br3 Mn10 N10 O25
Calculated formula	C39.97 H99.81 Br6.01 Mn10 N9.99 O24.97
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	15.6083 ± 0.0004 Å
b	15.6083 ± 0.0004 Å
c	76.462 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	16132 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4108206.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108206.cif
56543	2012-05-11	cif/ Adding structures of 4108206 via cif-deposit CGI script.	4108206.cif