Crystallography Open Database

Information card for entry 4311984

4311983 << 4311984 >> 4311985

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Coordinates	4311984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145.25 H174.25 Mn16 O65
Calculated formula	C147.36 H148 Mn16 O62.01
Title of publication	A Family of Mn16 Single-Molecule Magnets from a Reductive Aggregation Route
Authors of publication	Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7315 - 7323
a	32.2566 ± 0.0018 Å
b	20.1227 ± 0.0011 Å
c	27.864 ± 0.0016 Å
α	90°
β	116.13 ± 0.002°
γ	90°
Cell volume	16237.8 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.088
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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