Crystallography Open Database

Information card for entry 4516198

Preview

Coordinates	4516198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 I4 N2 O2 Sn
Calculated formula	C4 H16 I4 N2 O2 Sn
SMILES	C(CO)[NH3+].I[Sn](I)([I-])[I-].C(CO)[NH3+]
Title of publication	Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells
Authors of publication	Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang
Journal of publication	ACS Energy Letters
Year of publication	2018
Journal volume	3
Journal issue	9
Pages of publication	2077
a	13.0062 ± 0.0018 Å
b	19.617 ± 0.004 Å
c	6.3852 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1629.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
226184 (current)	2019-11-10	cif/ Adding structures of 4516198 via cif-deposit CGI script.	4516198.cif