Crystallography Open Database

Information card for entry 7127419

Preview

Coordinates	7127419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 Br7 Cs N2 Pb2
Calculated formula	C6 H18 Br7 Cs N2 Pb2
Title of publication	Polar CsPbBr<sub>3</sub>-based Dion-Jacobson hybrid for promising UV photodetection.
Authors of publication	Fu, Dongying; Wu, Shichao; Xin, Jianli; Zhang, Xinyuan; Han, Gaoyi; Zhang, Xian-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	92
Pages of publication	14381 - 14384
a	8.2772 ± 0.0005 Å
b	8.0905 ± 0.0004 Å
c	35.589 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2383.3 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0847
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
260679 (current)	2021-01-07	cif/ Updating files of 7127419 Original log message: Adding full bibliography for 7127419.cif.	7127419.cif
258477	2020-10-20	cif/ Adding structures of 7127419 via cif-deposit CGI script.	7127419.cif