Information card for entry 7248550

Structure parameters

• Chemical name: pent-3-yn-1-yltriphenylphosphonium hexafluorophosphate
• Formula: C23 H22 F6 P2
• Calculated formula: C23 H22 F6 P2
• 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 G.; McIndoe, J. Scott; Paci, Irina
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 14448 - 14455
• a: 11.1886 ± 0.0011 Å
• b: 17.4838 ± 0.0016 Å
• c: 11.8098 ± 0.0011 Å
• α: 90°
• β: 107.462 ± 0.001°
• γ: 90°
• Cell volume: 2203.8 ± 0.4 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: 0.052
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No