Information card for entry 4310345

Structure parameters

• Formula: C38 H53 B N P
• Calculated formula: C38 H53 B N P
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1cc(P(C(C)C)C(C)C)ccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Coordinating Anions: (Phosphino)tetraphenylborate Ligands as New Reagents for Synthesis
• Authors of publication: Christine M. Thomas; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8 - 10
• a: 9.89 ± 0.0008 Å
• b: 20.1253 ± 0.0016 Å
• c: 16.797 ± 0.0014 Å
• α: 90°
• β: 92.835 ± 0.002°
• γ: 90°
• Cell volume: 3339.2 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.614
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No