Crystallography Open Database

Information card for entry 1570736

Preview

Coordinates	1570736.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(butylammonium) triiodo-germanium(ii) iodide
Formula	C8 H24 Ge I4 N2
Calculated formula	C8 H24 Ge I4 N2
SMILES	[Ge](I)([I-])(I)[I-].[NH3+]CCCC.[NH3+]CCCC
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	8.2561 ± 0.0003 Å
b	8.6468 ± 0.0004 Å
c	27.5966 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1970.09 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
288971 (current)	2024-01-09	cif/ Adding structures of 1570736 via cif-deposit CGI script.	1570736.cif