Crystallography Open Database

Information card for entry 8000442

Preview

Coordinates	8000442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 Br4 N2 Zn
Calculated formula	C20 H32 Br4 N2 Zn
SMILES	[Zn](Br)(Br)([Br-])[Br-].C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1
Title of publication	Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.
Authors of publication	Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	5956 - 5962
a	9.552 ± 0.0002 Å
b	9.134 ± 0.0002 Å
c	15.2067 ± 0.0003 Å
α	90°
β	94.953 ± 0.0014°
γ	90°
Cell volume	1321.8 ± 0.05 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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 R(I) for significantly intense reflections	2.07
Goodness-of-fit parameter for all reflections	1.86
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~~2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254286 (current)	2020-07-15	cif/ Adding structures of 8000442 via cif-deposit CGI script.	8000442.cif