Crystallography Open Database

Information card for entry 1570740

Preview

Coordinates	1570740.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis(2-iodoethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]
Formula	C4 H14 Ge I6 N2
Calculated formula	C4 H14 Ge I6 N2
SMILES	[Ge](I)(I)([I-])[I-].ICC[NH3+].ICC[NH3+]
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	8.1291 ± 0.0006 Å
b	8.8236 ± 0.0006 Å
c	25.322 ± 0.002 Å
α	90°
β	97.632 ± 0.003°
γ	90°
Cell volume	1800.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.065
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
288975 (current)	2024-01-09	cif/ Adding structures of 1570740 via cif-deposit CGI script.	1570740.cif