Crystallography Open Database

Information card for entry 7711969

7711968 << 7711969 >> 7711970

Preview

Coordinates	7711969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H17 Br3 Cl N Pb
Calculated formula	C7 H17 Br3 Cl N 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	10.8678 ± 0.0004 Å
b	35.685 ± 0.0015 Å
c	7.7853 ± 0.0003 Å
α	90°
β	100.953 ± 0.001°
γ	90°
Cell volume	2964.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
283264 (current)	2023-05-05	cif/ Updating files of 7711968, 7711969 Original log message: Adding full bibliography for 7711968--7711969.cif.	7711969.cif
279932	2022-12-18	cif/ Adding structures of 7711968, 7711969 via cif-deposit CGI script.	7711969.cif