Crystallography Open Database

Information card for entry 7701404

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Coordinates	7701404.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)
Chemical name	(18-crown-6)bis(tetrahydrofuran)potassium_bis(pentamethylcyclopentadienyl)manganese(I)
Formula	C40 H70 K Mn O8
Calculated formula	C40 H70 K Mn O8
Title of publication	Structural Characterization of Potassium Salts of the Decamethylmanganocene Anion Cp*2Mn-
Authors of publication	Malischewski, Moritz; Seppelt, Konrad
Journal of publication	Dalton Transactions
Year of publication	2019
a	22.671 ± 0.002 Å
b	11.9085 ± 0.001 Å
c	17.1759 ± 0.0017 Å
α	90°
β	111.469 ± 0.003°
γ	90°
Cell volume	4315.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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