Crystallography Open Database

Information card for entry 4108208

Preview

Coordinates	4108208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H162 I8 Mn10 N8 O38
Calculated formula	C40 H90 I8 Mn10 N8 O26
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	25.6712 ± 0.001 Å
b	17.0984 ± 0.0007 Å
c	26.2611 ± 0.0011 Å
α	90°
β	96.036 ± 0.002°
γ	90°
Cell volume	11463 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0992
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections	0.161
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	0.8972
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.	4108208.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108208.cif
56545	2012-05-11	cif/ Adding structures of 4108208 via cif-deposit CGI script.	4108208.cif