Crystallography Open Database

Information card for entry 1564732

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Coordinates	1564732.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SnBrmaltol
Chemical name	SnBrmaltol
Formula	C6 H5 Br O3 Sn
Calculated formula	C6 H5 Br O3 Sn
SMILES	[Sn]1(Br)OC2=C(OC=CC2=[O]1)C
Title of publication	Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment
Authors of publication	Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi
Journal of publication	Chemical Science
Year of publication	2021
a	9.4057 ± 0.0012 Å
b	7.3958 ± 0.0009 Å
c	11.7318 ± 0.0014 Å
α	90°
β	98.096 ± 0.002°
γ	90°
Cell volume	807.96 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0371
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
269325 (current)	2021-09-28	cif/ Adding structures of 1564730, 1564731, 1564732 via cif-deposit CGI script.	1564732.cif