Crystallography Open Database

Information card for entry 4518042

Preview

Coordinates	4518042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 I3 N Pb
Calculated formula	C H6 I3 N Pb
Title of publication	Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.
Authors of publication	Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	39
Pages of publication	43885 - 43891
a	8.8921 ± 0.0013 Å
b	8.8921 ± 0.0013 Å
c	12.604 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	996.6 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.1091
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for significantly intense reflections	7.55
Goodness-of-fit parameter for all reflections included in the refinement	7.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71359 Å
Diffraction radiation type	X-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256982 (current)	2020-10-04	cif/ Updating files of 4518042, 4518043 Original log message: Adding full bibliography for 4518042--4518043.cif.	4518042.cif
256426	2020-09-16	cif/ Adding structures of 4518042 via cif-deposit CGI script.	4518042.cif