Crystallography Open Database

Information card for entry 4003434

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Coordinates	4003434.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-benzyl-N,N,N-trimethylammonium tetraiodomanganate(II)
Formula	C20 H32 I4 Mn N2
Calculated formula	C20 H32 I4 Mn N2
SMILES	I[Mn](I)([I-])[I-].[N+](C)(C)(C)Cc1ccccc1.[N+](C)(Cc1ccccc1)(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	9.7389 ± 0.0002 Å
b	9.3411 ± 0.0002 Å
c	15.7868 ± 0.0003 Å
α	90°
β	94.833 ± 0.002°
γ	90°
Cell volume	1431.05 ± 0.05 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
243738 (current)	2019-11-27	cif/ Adding structures of 4003434 via cif-deposit CGI script.	4003434.cif