Information card for entry 4336222

Structure parameters

• Formula: C29 H30 Ir4 Mo O9
• Calculated formula: C29 H30 Ir4 Mo O9
• SMILES: [Ir]123456789[Ir]%10%11%12%13([Ir]%14%151([Ir]2%10(C[c]14[c]5([c]6([c]7([c]81C)C)C)C)(C%12=O)(C%14=O)C#[O])([Mo]12453%11([c]3([c]5([c]4([c]2([c]13C)C)C)C)C)(C9=O)(C#[O])[H]%13%15)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)
• Authors of publication: Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11256 - 11268
• a: 11.0021 ± 0.0003 Å
• b: 18.1098 ± 0.0005 Å
• c: 16.2304 ± 0.0004 Å
• α: 90°
• β: 99.3334 ± 0.0015°
• γ: 90°
• Cell volume: 3191.03 ± 0.15 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: 0.0525
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9366
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No