Crystallography Open Database

Information card for entry 1570744

Preview

Coordinates	1570744.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[tetrakis(1,3-(propane-1,3-diaminium) bis(m-iodo)-bis(iodo)-germanium(ii)] dihydrate
Formula	C12 H52 Ge3 I14 N8 O2
Calculated formula	C12 H52 Ge3 I14 N8 O2
SMILES	C(CC[NH3+])[NH3+].C(CC[NH3+])[NH3+].[Ge+2].[I-].[I-].[I-].[I-].[Ge+2].[I-].[I-].[I-].O.C(CC[NH3+])[NH3+].C(CC[NH3+])[NH3+].[I-].[Ge+2].[I-].[I-].[I-].[I-].[I-].[I-].O
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	8.389 ± 0.0008 Å
b	11.1217 ± 0.0011 Å
c	14.7309 ± 0.0012 Å
α	90.206 ± 0.003°
β	104.865 ± 0.003°
γ	109.288 ± 0.003°
Cell volume	1247.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
288979 (current)	2024-01-09	cif/ Adding structures of 1570744 via cif-deposit CGI script.	1570744.cif