Information card for entry 4515394

Structure parameters

• Formula: C50 H50 N2 O4 Si
• Calculated formula: C50 H50 N2 O4 Si
• SMILES: [Si](C(C)C)(C(C)C)(C#Cc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C#Cc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
• 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: 12.7873 ± 0.0003 Å
• b: 10.2281 ± 0.0002 Å
• c: 32.4829 ± 0.0007 Å
• α: 90°
• β: 96.682 ± 0.001°
• γ: 90°
• Cell volume: 4219.57 ± 0.16 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No