Crystallography Open Database

Information card for entry 4112246

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Coordinates	4112246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C198.38 H380.76 Cl4.76 Mn30 N4 O106
Calculated formula	C198.376 H380.752 Cl4.752 Mn30 N4 O106
Title of publication	Single-Molecule Magnets: A Large Mn30 Molecular Nanomagnet Exhibiting Quantum Tunneling of Magnetization
Authors of publication	Monica Soler; Wolfgang Wernsdorfer; Kirsten Folting; Maren Pink; George Christou
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2156 - 2165
a	35.8248 ± 0.0011 Å
b	23.1245 ± 0.0011 Å
c	40.7231 ± 0.0016 Å
α	90°
β	113.234 ± 0.002°
γ	90°
Cell volume	31000 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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 all reflections	0.1414
Residual factor for significantly intense reflections	0.0885
Weighted residual factors for significantly intense reflections	0.2718
Weighted residual factors for all reflections included in the refinement	0.3208
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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