Information card for entry 4346253

Structure parameters

• Formula: C44 H62 Cl N2 P3 W
• Calculated formula: C44 H62 Cl N2 P3 W
• SMILES: [W]1(Cl)(P(P(c2ccccc2)c2ccccc2)[P]1(C(C)(C)C)C(C)(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Reactivity of Phosphanylphosphinidene Complex of Tungsten(VI) toward Phosphines: A New Method of Synthesis of catena-Polyphosphorus Ligands.
• Authors of publication: Grubba, Rafał; Ordyszewska, Anna; Kaniewska, Kinga; Ponikiewski, Łukasz; Chojnacki, Jarosław; Gudat, Dietrich; Pikies, Jerzy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8380 - 8387
• a: 10.2405 ± 0.0003 Å
• b: 12.1292 ± 0.0004 Å
• c: 19.1946 ± 0.0006 Å
• α: 94.778 ± 0.003°
• β: 102.456 ± 0.002°
• γ: 101.513 ± 0.003°
• Cell volume: 2261.21 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No