Information card for entry 7024228

Structure parameters

• Formula: C35 H35 F6 P3
• Calculated formula: C35 H35 F6 P3
• SMILES: [P+](CCCCP(c1ccccc1)c1ccccc1)(Cc1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mono-alkylated bisphosphines as dopants for ESI-MS analysis of catalytic reactions.
• Authors of publication: Chisholm, Danielle M.; Oliver, Allen G.; McIndoe, J. Scott
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 364 - 373
• a: 10.1738 ± 0.0004 Å
• b: 15.8803 ± 0.0007 Å
• c: 19.7059 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3183.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No