Information card for entry 2200107

Structure parameters

• Formula: C22 H14 Ir2 O10 W2
• Calculated formula: C22 H14 Ir2 O10 W2
• SMILES: [Ir]12([Ir]3([W]45671([W]189%1023(C#[O])(C#[O])[c]2([cH]%10[cH]9[cH]8[cH]12)C)(C#[O])(C#[O])[c]1([cH]4[cH]5[cH]6[cH]71)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: W~2~Ir~2~(CO)~10~(η^5^-C~5~H~4~Me)~2~
• Authors of publication: Lucas, Nigel T.; Notaras, Eleni G. A.; Humphrey, Mark G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m132 - m133
• a: 18.3035 ± 0.0001 Å
• b: 8.5629 ± 0.0001 Å
• c: 31.2876 ± 0.0002 Å
• α: 90°
• β: 94.7702 ± 0.0004°
• γ: 90°
• Cell volume: 4886.75 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections: 2.4
• Goodness-of-fit parameter for all reflections included in the refinement: 1.812
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes