Crystallography Open Database

Information card for entry 4088774

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Coordinates	4088774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 Mn N2
Calculated formula	C8 H22 Mn N2
Title of publication	A Neutrally Charged Trimethylmanganese(III) Complex: Synthesis, Characterization, and Disproportionation Chemistry
Authors of publication	Stalzer, Madelyn M.; Telser, Joshua; Krzystek, Jurek; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	16
Pages of publication	2683
a	10.9462 ± 0.0008 Å
b	11.8486 ± 0.001 Å
c	17.7478 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2301.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.14 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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