Information card for entry 1551232

Structure parameters

• Formula: C30 H41 B N7 O2 P W
• Calculated formula: C30 H41 B N7 O2 P W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(#CP(N(C(C)C)C(C)C)c1ccccc1)(C#[O])C#[O]
• Title of publication: Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
• Authors of publication: Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10628 - 10641
• a: 10.6921 ± 0.0002 Å
• b: 10.6921 ± 0.0002 Å
• c: 25.0214 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2477.24 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No