Crystallography Open Database

Information card for entry 1557436

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Structure parameters

Chemical name	Bis(<i>N</i>-adamantyl-<i>N</i>'-ethylimidazolium) tetrabromidomanganate(II)
Formula	C30 H46 Br4 Mn N4
Calculated formula	C30 H46 Br4 Mn N4
SMILES	[Mn](Br)(Br)([Br-])[Br-].n1(c[n+](cc1)C12CC3CC(CC(C1)C3)C2)CC.n1(c[n+](cc1)C12CC3CC(CC(C1)C3)C2)CC
Title of publication	Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II)
Authors of publication	Giltzau, Niels Ole; Köckerling, Martin
Journal of publication	IUCrData
Year of publication	2020
Journal volume	5
Journal issue	3
a	18.02 ± 0.001 Å
b	18.742 ± 0.001 Å
c	19.74 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6666.8 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
248737 (current)	2020-03-04	cif/ hkl/ Adding structures of 1557436 via cif-deposit CGI script.	1557436.cif 1557436.hkl