Information card for entry 7038195

Structure parameters

• Formula: C40 H66 O4 P4 W2
• Calculated formula: C40 H66 O4 P4 W2
• SMILES: [c]12([c]3([c]4([c]5([c]1([W]12345(P(P2[P]([W]34562([c]2([c]3([c]5([c]6([c]42C)C)C)C)C)(C#[O])C#[O])(C(C)(C)C)C(C)(C)C)[P]1(C(C)(C)C)C(C)(C)C)(C#[O])C#[O])C)C)C)C)C
• Title of publication: The reactivity of 1,1-dichloro-2,2-di-tert-butyldiphosphane towards lithiated metal carbonyls: a new entry to phosphanylphosphinidene dimers.
• Authors of publication: Grubba, Rafał; Zauliczny, Mateusz; Ponikiewski, Łukasz; Pikies, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4961 - 4964
• a: 21.4329 ± 0.0008 Å
• b: 21.4329 ± 0.0008 Å
• c: 8.837 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3515.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No