Crystallography Open Database

Information card for entry 4128314

Preview

Coordinates	4128314.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	j095
Formula	C12 H32 I8 N4 Pb2
Calculated formula	C12 H32 I8 N4 Pb2
Title of publication	Ferroelectricity and Rashba Effect in a Two-Dimensional Dion-Jacobson Hybrid Organic-Inorganic Perovskite.
Authors of publication	Park, In-Hyeok; Zhang, Qiannan; Kwon, Ki Chang; Zhu, Ziyu; Yu, Wei; Leng, Kai; Giovanni, David; Choi, Hwa Seob; Abdelwahab, Ibrahim; Xu, Qing-Hua; Sum, Tze Chien; Loh, Kian Ping
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	15972 - 15976
a	10.5315 ± 0.0002 Å
b	12.5444 ± 0.0003 Å
c	12.5572 ± 0.0003 Å
α	90°
β	89.99°
γ	90°
Cell volume	1658.95 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2254
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
221437 (current)	2019-11-03	cif/ Adding structures of 4128314 via cif-deposit CGI script.	4128314.cif