Information card for entry 2010942

Structure parameters

• Chemical name: 2,2'-Dipyridylaminepentacarbonyltungsten(0)
• Formula: C15 H9 N3 O5 W
• Calculated formula: C15 H9 N3 O5 W
• SMILES: [W]([n]1ccccc1Nc1ncccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl(di-2-pyridylamine)tungsten(0)
• Authors of publication: Creaven, Bernadette S.; Howie, R. Alan; Long, Conor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e181 - e182
• a: 12.812 ± 0.011 Å
• b: 7.185 ± 0.007 Å
• c: 17.835 ± 0.015 Å
• α: 90°
• β: 99.61 ± 0.07°
• γ: 90°
• Cell volume: 1619 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.063
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes