Crystallography Open Database

Information card for entry 7061914

7061913 << 7061914 >> 7061915

Preview

Coordinates	7061914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Br3 Cl N Pb
Calculated formula	C5 H13 Br3 Cl N Pb
Title of publication	A new organic–inorganic hybrid perovskite ferroelectric [ClCH2CH2N(CH3)3][PbBr3] and Its PVDF matrix-assisted highly-oriented flexible ferroelectric films
Authors of publication	Li, Duo-Fu; Zhao, Peng-Ju; Deng, Xiang-Hong; Wu, Yao-Zhen; He, Xiao-Li; Liu, Dong-Sheng; Li, Yong-Xiu; Sui, Yan
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	40
Pages of publication	19391 - 19400
a	8.9465 ± 0.0005 Å
b	17.4587 ± 0.0009 Å
c	8.1154 ± 0.0004 Å
α	90°
β	96.586 ± 0.005°
γ	90°
Cell volume	1259.21 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
279023 (current)	2022-11-07	cif/ Updating files of 7061914, 7061915, 7061916, 7061917 Original log message: Adding full bibliography for 7061914--7061917.cif.	7061914.cif
278056	2022-09-22	cif/ Adding structures of 7061914, 7061915, 7061916, 7061917 via cif-deposit CGI script.	7061914.cif