Crystallography Open Database

Information card for entry 8000325

Preview

Coordinates	8000325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 I N
Calculated formula	C H6 I N
Title of publication	Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.
Authors of publication	Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.
Journal of publication	The journal of physical chemistry letters
Year of publication	2019
Journal volume	10
Journal issue	22
Pages of publication	7245 - 7250
a	5.124 ± 0.003 Å
b	5.124 ± 0.003 Å
c	9.039 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	237.3 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246581 (current)	2020-01-04	cif/ Updating files of 8000325 Original log message: Adding full bibliography for 8000325.cif.	8000325.cif
227481	2019-11-12	cif/ Adding structures of 8000325 via cif-deposit CGI script.	8000325.cif