Crystallography Open Database

Information card for entry 1570737

Preview

Coordinates	1570737.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis((4-chlorophenyl)methanaminium) tetrakis(m-iodo)-triodo-cesium-di-germanium]
Formula	C14 H18 Cl2 Cs Ge2 I7 N2
Calculated formula	C14 H18 Cl2 Cs Ge2 I7 N2
SMILES	C(c1ccc(cc1)Cl)[NH3+].[Ge+2].[I-].[I-].[I-].[I-].[Cs+].C(c1ccc(cc1)Cl)[NH3+].[Ge+2].[I-].[I-].[I-]
Title of publication	Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites
Authors of publication	Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.
Journal of publication	Nature
Year of publication	2023
Journal volume	620
Pages of publication	328 - 335
a	8.4068 ± 0.0003 Å
b	45.0015 ± 0.0016 Å
c	8.3314 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3151.9 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	39
Hermann-Mauguin space group symbol	A e m 2
Hall space group symbol	A 2 -2b
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288972 (current)	2024-01-09	cif/ Adding structures of 1570737 via cif-deposit CGI script.	1570737.cif