Information card for entry 1570730

Structure parameters

• Chemical name: catena-[bis((4-chlorophenyl)methylammonium) bis(m-iodo)-bis(iodo)-germanium(ii)]
• Formula: C14 H18 Cl2 Ge I4 N2
• Calculated formula: C14 H18 Cl2 Ge I4 N2
• SMILES: c1cc(Cl)ccc1C[NH3+].[Ge+2].[I-].[I-].c1(ccc(cc1)Cl)C[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: 34.1352 ± 0.0009 Å
• b: 8.1304 ± 0.0002 Å
• c: 8.3002 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2303.58 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No