Crystallography Open Database

Information card for entry 4003432

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Coordinates	4003432.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-bromo-N,N,N-trimethylethan-1-aminium tetrabromomanganate(II)
Formula	C12 H30 Br6 Mn N2
Calculated formula	C12 H30 Br6 Mn N2
SMILES	Br[Mn](Br)([Br-])[Br-].BrCCC[N+](C)(C)C.BrCCC[N+](C)(C)C
Title of publication	Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence
Authors of publication	Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.
Journal of publication	Chemistry of Materials
Year of publication	2019
a	23.5987 ± 0.0008 Å
b	9.4951 ± 0.0002 Å
c	15.7871 ± 0.0005 Å
α	90°
β	91.653 ± 0.003°
γ	90°
Cell volume	3535.98 ± 0.18 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1023
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243736 (current)	2019-11-27	cif/ Adding structures of 4003432 via cif-deposit CGI script.	4003432.cif