Crystallography Open Database

Information card for entry 7706466

Preview

Coordinates	7706466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 I4 N2 O2 Pb
Calculated formula	C18 H28 I4 N2 O2 Pb
Title of publication	Temperature-responsive emission and elastic properties of a new 2D lead halide perovskite.
Authors of publication	Fan, Jia-Hui; Qin, Yan; Azeem, Muhammad; Zhang, Zhuo-Zhen; Li, Zhi-Gang; Sun, Na; Yao, Zhao-Quan; Li, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2648 - 2653
a	12.2659 ± 0.0002 Å
b	12.3518 ± 0.0002 Å
c	18.4045 ± 0.0002 Å
α	80.443 ± 0.001°
β	81.138 ± 0.001°
γ	89.995 ± 0.001°
Cell volume	2715.94 ± 0.07 Å³
Cell temperature	223 ± 0.1 K
Ambient diffraction temperature	223 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262649 (current)	2021-03-05	cif/ Updating files of 7706466 Original log message: Adding full bibliography for 7706466.cif.	7706466.cif
261132	2021-01-22	cif/ Adding structures of 7706466 via cif-deposit CGI script.	7706466.cif