Information card for entry 1551230

Structure parameters

• Formula: C25 H39 B N7 O2 P W
• Calculated formula: C25 H39 B N7 O2 P W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(cc1C)C)(C#[O])(C#[O])=CP(N(C(C)C)C(C)C)C
• 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: 11.0365 ± 0.0004 Å
• b: 11.7052 ± 0.0003 Å
• c: 12.2565 ± 0.0003 Å
• α: 81.005 ± 0.002°
• β: 77.156 ± 0.003°
• γ: 75.95 ± 0.003°
• Cell volume: 1488.75 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No