Information card for entry 2200109

Structure parameters

• Formula: C34 H24 Ir2 O8 W2
• Calculated formula: C34 H24 Ir2 O8 W2
• SMILES: [Ir]12345([Ir]67(C#[O])(C#[O])(C(=O)[W]168(C2=O)([cH]12)([cH]16)([cH]21)([cH]12)[c]26C)(C(=O)[W]137(C4=O)([cH]23)([cH]24)([cH]32)([cH]23)[c]34C)[C]8(=[C]15c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: W~2~Ir~2~(μ~4~-η^2^-C~2~Ph~2~)(μ-CO)~4~(CO)~4~(η-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: m143 - m144
• a: 16.8073 ± 0.0001 Å
• b: 9.5849 ± 0.0001 Å
• c: 19.0626 ± 0.0002 Å
• α: 90°
• β: 90.8932 ± 0.0006°
• γ: 90°
• Cell volume: 3070.54 ± 0.05 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 all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0295
• Goodness-of-fit parameter for all reflections: 0.822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes