Information card for entry 1551231

Structure parameters

• Formula: C36 H46 B N8 O2 P W
• Calculated formula: C36 H46 B N8 O2 P W
• SMILES: [W]12([n]3n([BH](n4[n]2c(C)cc4C)n2[n]1c(C)cc2C)c(cc3C)C)(=CP(N(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C)(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: 10.8899 ± 0.0004 Å
• b: 11.6332 ± 0.0004 Å
• c: 15.5746 ± 0.0006 Å
• α: 83.516 ± 0.003°
• β: 84.985 ± 0.003°
• γ: 77.955 ± 0.003°
• Cell volume: 1913.13 ± 0.12 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: 0.037
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No