Crystallography Open Database

Information card for entry 1548617

Preview

Coordinates	1548617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H28 Ga I N O6
Calculated formula	C16 H28 Ga I N O6
SMILES	[I-].[Ga]123(OC(=CC(=[O]3)C)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.[NH3+]C
Title of publication	In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells
Authors of publication	Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.
Journal of publication	Energy & Environmental Science
Year of publication	2018
Journal volume	11
Journal issue	2
Pages of publication	286
a	12.3537 ± 0.0006 Å
b	12.2717 ± 0.0005 Å
c	15.5166 ± 0.0007 Å
α	90°
β	112.273 ± 0.006°
γ	90°
Cell volume	2176.82 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1424
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
230081 (current)	2019-11-17	cif/ Updating files of 1548616, 1548617 Original log message: Adding full bibliography for 1548616--1548617.cif.	1548617.cif
204900	2018-01-06	cif/ Adding structures of 1548616, 1548617 via cif-deposit CGI script.	1548617.cif