Information card for entry 1570725

Structure parameters

• Chemical name: catena-[bis((3-chlorophenyl)methanaminium) bis(m-iodo)-bis(iodo)-germanium(ii)]
• Formula: C14 H18 Cl2 Ge I4 N2
• Calculated formula: C14 H18 Cl2 Ge I4 N2
• 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: 17.264 ± 0.003 Å
• b: 8.1402 ± 0.0012 Å
• c: 8.3591 ± 0.0012 Å
• α: 90°
• β: 99.694 ± 0.005°
• γ: 90°
• Cell volume: 1158 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No