Information card for entry 7703868

Structure parameters

• Formula: C23 H18 Mo N3 O5 P
• Calculated formula: C23 H18 Mo N3 O5 P
• SMILES: [Mo]([P](c1nc(ccc1)C)(c1nc(ccc1)C)c1nc(ccc1)C)(C#[O])(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: 10.4126 ± 0.0003 Å
• b: 22.0156 ± 0.0005 Å
• c: 10.8107 ± 0.0003 Å
• α: 90°
• β: 109.128 ± 0.003°
• γ: 90°
• Cell volume: 2341.41 ± 0.12 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No