Crystallography Open Database

Information card for entry 1570725

Preview

Coordinates	1570725.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis((3-chlorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]
Formula	C14 H18 Cl2 Ge I4 N2
Calculated formula	C14 H18 Cl2 Ge I4 N2
SMILES	c1c(cccc1C[NH3+])Cl.c1(cc(ccc1)Cl)C[NH3+].[Ge+2].[I-].[I-].[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	17.264 ± 0.003 Å
b	8.1402 ± 0.0012 Å
c	8.3591 ± 0.0012 Å
α	90°
β	99.694 ± 0.005°
γ	90°
Cell volume	1158 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.0331
Weighted residual factors for all reflections included in the refinement	0.0339
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
288960 (current)	2024-01-09	cif/ Adding structures of 1570725 via cif-deposit CGI script.	1570725.cif