Crystallography Open Database

Information card for entry 4327324

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Coordinates	4327324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H140 Mn9 O39
Calculated formula	C73 H110 Mn9 O37
Title of publication	New Polynuclear Manganese Clusters from the Use of the Hydrophobic Carboxylate Ligand 2,2-Dimethylbutyrate
Authors of publication	Nicole E. Chakov; Lev N. Zakharov; Arnold L. Rheingold; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4555 - 4567
a	25.9274 ± 0.0014 Å
b	19.6851 ± 0.001 Å
c	21.1978 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	10819 ± 1 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0771
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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