Crystallography Open Database

Information card for entry 1570728

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Coordinates	1570728.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis[4-(trifluoromethyl)benzylammonium] bis(m-iodo)-bis(iodo)-germanium(ii)]
Formula	C16 H16 F6 Ge I4 N2
Calculated formula	C16 H16 F6 Ge I4 N2
SMILES	I[Ge](I)([I-])[I-].FC(F)(F)c1ccc(C[NH3+])cc1.FC(F)(F)c1ccc(C[NH3+])cc1
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	35.387 ± 0.003 Å
b	8.3595 ± 0.0008 Å
c	8.5792 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2537.9 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
288963 (current)	2024-01-09	cif/ Adding structures of 1570728 via cif-deposit CGI script.	1570728.cif