Crystallography Open Database

Information card for entry 4108207

Preview

Coordinates	4108207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H169.8 I7.2 Mn10 N10 O25.8
Calculated formula	C40 H99.7998 I5.2 Mn10 N9.9999 O25.8001
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	15.82 ± 0.0003 Å
b	15.82 ± 0.0003 Å
c	77.614 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	16822.2 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.143
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for all reflections	0.1548
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.0139
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4108207.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108207.cif
56544	2012-05-11	cif/ Adding structures of 4108207 via cif-deposit CGI script.	4108207.cif