Information card for entry 7037033

Structure parameters

• Formula: C55 H88 Cl Li Mo N2 O11 P2 W
• Calculated formula: C55 H88 Cl Li Mo 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)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])Cl.c1ccccc1.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: 12.9288 ± 0.0005 Å
• b: 15.1892 ± 0.0006 Å
• c: 16.9523 ± 0.0006 Å
• α: 99.703 ± 0.003°
• β: 91.898 ± 0.003°
• γ: 97.591 ± 0.003°
• Cell volume: 3247.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No