Information card for entry 2012659

Structure parameters

• Formula: C20 H13 Ir3 Mo O11
• Calculated formula: C20 H13 Ir3 Mo O11
• SMILES: [Ir]1234([Ir]5([Ir]16(C#[O])(C#[O])C#[O])(C2=O)(C#[O])(C#[O])C(=O)[Mo]456(C3=O)(C#[O])([c]12C)([c]13C)([c]21C)([c]12C)[cH]23)(C#[O])C#[O]
• Title of publication: Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum
• Authors of publication: Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m249 - m251
• a: 11.543 ± 0.005 Å
• b: 17.198 ± 0.009 Å
• c: 25.382 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5039 ± 4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections: 1.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes