Crystallography Open Database

Information card for entry 4109725

Preview

Coordinates	4109725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H157.6 Gd2 Mn11 N15 O58.4
Calculated formula	C87 H121.6 Gd2 Mn11 N3 O58.4
Title of publication	A Bell-Shaped Mn11Gd2 Single-Molecule Magnet
Authors of publication	Valeriu M. Mereacre; Ayuk M. Ako; Rodolphe Clérac; Wolfgang Wernsdorfer; George Filoti; Juan Bartolomé; Christopher E. Anson; Annie K. Powell
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9248 - 9249
a	15.8893 ± 0.001 Å
b	17.5285 ± 0.0011 Å
c	27.2474 ± 0.0017 Å
α	86.985 ± 0.001°
β	78.083 ± 0.001°
γ	72.737 ± 0.001°
Cell volume	7090.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	4109725.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109725.cif
58503	2012-05-29	cif/ Adding structures of 4109725 via cif-deposit CGI script.	4109725.cif