Information card for entry 7703872

Structure parameters

• Formula: C34 H24 N6 O4 P2 W
• Calculated formula: C34 H24 N6 O4 P2 W
• SMILES: [W]([P](c1ncccc1)(c1ncccc1)c1ncccc1)([P](c1ncccc1)(c1ncccc1)c1ncccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: An experimental and theoretical study of the coordination and donor properties of tris-2-pyridyl-phosphine ligands.
• Authors of publication: Hanf, Schirin; Colebatch, Annie L.; Stehr, Philipp; García-Rodríguez, Raúl; Hey-Hawkins, Evamarie; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5312 - 5322
• a: 17.0942 ± 0.0002 Å
• b: 10.2626 ± 0.0001 Å
• c: 17.9547 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3149.81 ± 0.06 ų
• Cell temperature: 130 ± 0.14 K
• Ambient diffraction temperature: 130 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No