Crystallography Open Database

Information card for entry 4107508

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Coordinates	4107508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C135 H100 F24 Mn4 N31 O4 P4 Re
Calculated formula	C89.3333 H66.6667 F14.6227 Mn2.66667 N21.3333 O2.33333 P2.70933 Re0.666667
Title of publication	A Redox-Switchable Single-Molecule Magnet Incorporating [Re(CN)7]3-
Authors of publication	Danna E. Freedman; David M. Jenkins; Anthony T. Iavarone; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2884 - 2885
a	38.945 ± 0.004 Å
b	24.649 ± 0.002 Å
c	17.3178 ± 0.0015 Å
α	90°
β	113.609 ± 0.002°
γ	90°
Cell volume	15233 ± 2 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1411
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2244
Weighted residual factors for all reflections included in the refinement	0.2585
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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