Information card for entry 1570729

Structure parameters

• Chemical name: catena-[bis(2-(4-chlorophenyl)ethan-1-aminium) bis(m-iodo)-bis(iodo)-germanium(ii)]'
• Formula: C16 H22 Cl2 Ge I4 N2
• Calculated formula: C16 H22 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: 11.9349 ± 0.0011 Å
• b: 6.0242 ± 0.0006 Å
• c: 34.381 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2471.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No