Crystallography Open Database

Information card for entry 1570739

Preview

Coordinates	1570739.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetrakis(phenylmethanaminium)tri(iodo)-germanium(II) tetraiodo-germanium(ii)
Formula	C28 H40 Ge3 I10 N4
Calculated formula	C28 H40 Ge3 I10 N4
SMILES	[Ge](I)(I)([I-])[I-].[Ge](I)(I)[I-].[Ge](I)(I)[I-].[NH3+]Cc1ccccc1.[NH3+]Cc1ccccc1.[NH3+]Cc1ccccc1.[NH3+]Cc1ccccc1
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	8.2572 ± 0.0004 Å
b	21.5648 ± 0.0008 Å
c	13.2995 ± 0.0006 Å
α	90°
β	96.915 ± 0.002°
γ	90°
Cell volume	2350.95 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
288974 (current)	2024-01-09	cif/ Adding structures of 1570739 via cif-deposit CGI script.	1570739.cif