Crystallography Open Database

Information card for entry 1570742

Preview

Coordinates	1570742.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-(bis((2-Hydroxyethyl)ammonium) bis(m-iodo)-di-iodo-germanium(ii))
Formula	C4 H16 Ge I4 N2 O2
Calculated formula	C4 H16 Ge I4 N2 O2
SMILES	[Ge](I)I.[I-].[I-].OCC[NH3+].OCC[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	13.0687 ± 0.001 Å
b	19.3506 ± 0.0012 Å
c	6.103 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1543.37 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0237
Residual factor for significantly intense reflections	0.0182
Weighted residual factors for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0332
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
288977 (current)	2024-01-09	cif/ Adding structures of 1570742 via cif-deposit CGI script.	1570742.cif