Crystallography Open Database

Information card for entry 4314458

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Coordinates	4314458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H150 Cl Fe11 N8 O37
Calculated formula	C72 H135 Fe11 N3 O37
Title of publication	An Undecanuclear FeIII Single-Molecule Magnet
Authors of publication	Ayuk M. Ako; Valeriu Mereacre; Yanhua Lan; Wolfgang Wernsdorfer; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1 - 3
a	15.5135 ± 0.0005 Å
b	15.5135 ± 0.0005 Å
c	51.3543 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	10703.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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