Crystallography Open Database

Information card for entry 2103559

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Coordinates	2103559.cif
Original IUCr paper	HTML

Structure parameters

Common name	Mnac
Chemical name	manganese acetate tetrahydrate
Formula	C4 H6 D8 Mn O8
Calculated formula	C4 D4.95333 Mn0.833333 O8
Title of publication	Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics
Authors of publication	Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David
Journal of publication	Acta Crystallographica Section B
Year of publication	2001
Journal volume	57
Journal issue	1
Pages of publication	36 - 44
a	11.1 ± 0.03 Å
b	17.51 ± 0.03 Å
c	9.09 ± 0.02 Å
α	90°
β	118.6 ± 0.2°
γ	90°
Cell volume	1551 ± 7 Å³
Cell temperature	300 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.0456
Goodness-of-fit parameter for significantly intense reflections	1.0655
Diffraction radiation probe	neutron
Diffraction radiation wavelength	0.8308 Å
Diffraction radiation type	Neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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