Crystallography Open Database

Information card for entry 8000564

Preview

Coordinates	8000564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Br7 Cs N2 Pb2
Calculated formula	C4 H14 Br7 Cs N2 Pb2
Title of publication	Two-Dimensional Dion-Jacobson Perovskite (NH<sub>3</sub>C<sub>4</sub>H<sub>8</sub>NH<sub>3</sub>)CsPb<sub>2</sub>Br<sub>7</sub> with High X-ray Sensitivity and Peak Discrimination of α-Particles.
Authors of publication	Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong
Journal of publication	The journal of physical chemistry letters
Year of publication	2022
Pages of publication	1187 - 1193
a	8.0489 ± 0.001 Å
b	31.099 ± 0.004 Å
c	8.3796 ± 0.001 Å
α	90°
β	90.441 ± 0.004°
γ	90°
Cell volume	2097.5 ± 0.5 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.16
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
272541 (current)	2022-02-04	cif/ Adding structures of 8000564 via cif-deposit CGI script.	8000564.cif