Information card for entry 7248549

Structure parameters

• Chemical name: pent-3-yn-1-yltriphenylphosphonium iodide
• Formula: C23 H22 I P
• Calculated formula: C23 H22 I P
• Title of publication: Mechanistic study of the atomic layer deposition of cobalt: A combined mass spectrometric and computational approach
• Authors of publication: Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen Grayson; McIndoe, J. Scott; Paci, Irina
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2024
• a: 10.606 ± 0.01 Å
• b: 18.313 ± 0.016 Å
• c: 10.75 ± 0.01 Å
• α: 90°
• β: 106.717 ± 0.012°
• γ: 90°
• Cell volume: 2000 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No