Crystallography Open Database

Information card for entry 1570734

Preview

Coordinates	1570734.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[bis((4-iodophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]
Formula	C14 H18 Ge I6 N2
Calculated formula	C14 H18 Ge I6 N2
SMILES	C(c1ccc(cc1)I)[NH3+].[Ge+2].[I-].[I-].C(c1ccc(cc1)I)[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	8.4111 ± 0.0009 Å
b	34.575 ± 0.004 Å
c	8.3164 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2418.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.283
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
288969 (current)	2024-01-09	cif/ Adding structures of 1570734 via cif-deposit CGI script.	1570734.cif