Crystallography Open Database

Information card for entry 7237658

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Coordinates	7237658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MA2Pb3I8 DMSO complex
Formula	C6 H24 I8 N2 O2 Pb3 S2
Calculated formula	C6 H25 I8 N2 O2 Pb3 S2
Title of publication	Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance
Authors of publication	Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	28
Pages of publication	16947
a	4.5887 ± 0.0009 Å
b	27.262 ± 0.005 Å
c	26.789 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3351.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238477 (current)	2019-11-24	cif/ Adding structures of 7237658 via cif-deposit CGI script.	7237658.cif