Information card for entry 1570744

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
• 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 ų
• 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 Fobs: No