Crystallography Open Database

Information card for entry 1571898

Preview

Coordinates	1571898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 I6 N2 Pb2
Calculated formula	C7 H12 I6 N2 Pb2
Title of publication	Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.
Authors of publication	Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11374 - 11381
a	12.9493 ± 0.0003 Å
b	18.7108 ± 0.0005 Å
c	17.6439 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4274.97 ± 0.19 Å³
Cell temperature	239.99 ± 0.1 K
Ambient diffraction temperature	239.99 ± 0.1 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
293732 (current)	2024-08-05	cif/ Updating files of 1571897, 1571898, 1571899, 1571900, 1571901, 1571902, 1571903, 1571904, 1571905, 1571906 Original log message: Adding full bibliography for 1571897--1571906.cif.	1571898.cif
292406	2024-06-15	cif/ Adding structures of 1571897, 1571898, 1571899, 1571900, 1571901, 1571902, 1571903, 1571904, 1571905, 1571906 via cif-deposit CGI script.	1571898.cif