Crystallography Open Database

Information card for entry 7711968

7711967 << 7711968 >> 7711969

Preview

Coordinates	7711968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H17 Br3 Cl N Pb
Calculated formula	C6.4974 H16.4934 Br3 Cl0.9996 N0.9996 Pb
Title of publication	Design, synthesis, and characterization of a new hybrid organic-inorganic perovskite with a high-<i>T</i><sub>c</sub> dielectric transition.
Authors of publication	Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Ge, Shuwang; Liu, Xianmin; Zhang, Yinan; Chen, Long; Hua, Xiu-Ni; Sun, Baiwang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	955 - 961
a	10.57 ± 0.002 Å
b	10.57 ± 0.002 Å
c	7.9754 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	771.7 ± 0.3 Å³
Cell temperature	410 K
Ambient diffraction temperature	410 K
Number of distinct elements	6
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1423
Residual factor for significantly intense reflections	0.0893
Weighted residual factors for significantly intense reflections	0.2454
Weighted residual factors for all reflections included in the refinement	0.3051
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283264 (current)	2023-05-05	cif/ Updating files of 7711968, 7711969 Original log message: Adding full bibliography for 7711968--7711969.cif.	7711968.cif
279932	2022-12-18	cif/ Adding structures of 7711968, 7711969 via cif-deposit CGI script.	7711968.cif