Information card for entry 4515396

Structure parameters

• Formula: C46 H42 N2 Si
• Calculated formula: C46 H42 N2 Si
• SMILES: [Si](C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)(C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)(C(C)C)C(C)C
• Title of publication: Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.
• Authors of publication: Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 15548 - 15557
• a: 14.4395 ± 0.0003 Å
• b: 13.817 ± 0.0002 Å
• c: 18.3269 ± 0.0003 Å
• α: 90°
• β: 100.609 ± 0.001°
• γ: 90°
• Cell volume: 3593.91 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No