Information card for entry 4350633

Structure parameters

• Formula: C25 H19 Ir3 Mo2 O11
• Calculated formula: C25 H19 Ir3 Mo2 O11
• SMILES: [Ir]123([Ir]4567([Ir]891([Mo]1%10%11%1224(C#[O])(C#[O])([c]2([c]1([cH]%10[c]%11([c]%122C)C)C)C)[H]79)([Mo]124735(C6=O)(C8=O)(C#[O])[cH]3[cH]1[cH]2[cH]4[cH]73)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.
• Authors of publication: Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10859 - 10872
• a: 13.0086 ± 0.0002 Å
• b: 13.5437 ± 0.0002 Å
• c: 16.6804 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2938.83 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections included in the refinement: 0.0228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0618
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No