Crystallography Open Database

Information card for entry 1570730

Preview

Coordinates	1570730.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis((4-chlorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]
Formula	C14 H18 Cl2 Ge I4 N2
Calculated formula	C14 H18 Cl2 Ge I4 N2
SMILES	c1cc(Cl)ccc1C[NH3+].[Ge+2].[I-].[I-].c1(ccc(cc1)Cl)C[NH3+].[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	34.1352 ± 0.0009 Å
b	8.1304 ± 0.0002 Å
c	8.3002 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2303.58 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288965 (current)	2024-01-09	cif/ Adding structures of 1570730 via cif-deposit CGI script.	1570730.cif