Information card for entry 7037034

Structure parameters

• Formula: C49 H82 Cl Cr Li N2 O11 P2 W
• Calculated formula: C49 H82 Cl Cr Li N2 O11 P2 W
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[W]1(=Nc2c(cccc2C(C)C)C(C)C)(P([P]1(C(C)(C)C)C(C)(C)C)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])Cl.C[O]1CC[O](C)[Li]231([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: An investigation on the chemistry of the R2P[double bond, length as m-dash]P ligand: reactions of a phosphanylphosphinidene complex of tungsten(vi) with electrophilic reagents.
• Authors of publication: Grubba, Rafał; Ordyszewska, Anna; Ponikiewski, Łukasz; Gudat, Dietrich; Pikies, Jerzy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2172 - 2179
• a: 12.7661 ± 0.0008 Å
• b: 33.693 ± 0.0015 Å
• c: 13.4621 ± 0.0006 Å
• α: 90°
• β: 96.479 ± 0.004°
• γ: 90°
• Cell volume: 5753.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No