Information card for entry 1551233

Structure parameters

• Formula: C43 H60 B2 Cl2 N13 O4 P W2
• Calculated formula: C43 H60 B2 Cl2 N13 O4 P W2
• SMILES: P(C#[W]12(C#[O])(C#[O])[n]3n([BH](n4c(cc(C)[n]24)C)n2[n]1c(C)cc2C)c(cc3C)C)(C#[W]12(C#[O])(C#[O])[n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)N(C(C)C)C(C)C.ClCCl
• 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: 24.5458 ± 0.0005 Å
• b: 13.8577 ± 0.0003 Å
• c: 15.7675 ± 0.0004 Å
• α: 90°
• β: 90.92 ± 0.002°
• γ: 90°
• Cell volume: 5362.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No