Information card for entry 2203387

Structure parameters

• Formula: C45 H35 Ir3 O7 W
• Calculated formula: C45 H35 Ir3 O7 W
• SMILES: [Ir]1234([Ir]567([Ir]81([W]19%10%11%1225([c]2([c]1([c]9([c]%10([c]%112C)C)C)C)C)(C#[O])[C]7(c1ccccc1)=[C]8%12c1ccccc1)(C#[O])(C#[O])[C]4(=[C]36c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Heptacarbonylbis(μ~3~-η^2^-diphenylacetylene)(η^5^-pentamethylcyclopentadienyl)triiridiumtungsten
• Authors of publication: Anthony C. Willis; Gulliver T. Dalton; Mark G. Humphrey
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m458 - m459
• a: 15.7919 ± 0.0002 Å
• b: 14.3952 ± 0.0002 Å
• c: 17.9788 ± 0.0002 Å
• α: 90°
• β: 90.7217 ± 0.0006°
• γ: 90°
• Cell volume: 4086.75 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes