Crystallography Open Database

Information card for entry 5000296

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C182 H193 Mn18 N7 O74 P12
Calculated formula	C191 H156 Mn18 N6 O74 P12
Title of publication	Single-Molecule Magnets: Ligand-Induced Core Distortion and Multiple Jahn-Teller Isomerism in [Mn12O12(O2CMe)8(O2PPh2)8(H2O)4]
Authors of publication	Colette Boskovic; Maren Pink; John C. Huffman; David N. Hendrickson; George Christou
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	9914 - 9915
a	55.071 ± 0.004 Å
b	33.491 ± 0.003 Å
c	27.331 ± 0.002 Å
α	90°
β	114.966°
γ	90°
Cell volume	45699 ± 7 Å³
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	0.0777
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.6418
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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