Crystallography Open Database

Information card for entry 5000342

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Coordinates	5000342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H102 Cl18 Mn12 N6 O30
Calculated formula	C105 H102 Cl18 Mn12 N6 O30
Title of publication	Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6]
Authors of publication	Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	3725 - 3736
a	36.774 ± 0.003 Å
b	14.9295 ± 0.0012 Å
c	27.037 ± 0.002 Å
α	90°
β	121.884 ± 0.004°
γ	90°
Cell volume	12604.3 ± 1.9 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for all reflections included in the refinement	0.8413
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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