Information card for entry 4336227

Structure parameters

• Formula: C28 H23 Ir3 O9 W2
• Calculated formula: C28 H23 Ir3 O9 W2
• SMILES: [Ir]1234([Ir]56789%10%11([W]%12%13%14%15%162([Ir]21([W]1%17%18%1935%12([cH]3[cH]%19[cH]%18[cH]%17[cH]13)(C%11=O)C2=O)(C4=O)(C#[O])C#[O])([cH]1[cH]%16[cH]%15[cH]%14[cH]%131)(C#[O])C%10=O)[c]1([c]6([c]7([c]8([cH]91)C)C)C)C)(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: 10.553 ± 0.002 Å
• b: 16.679 ± 0.003 Å
• c: 16.864 ± 0.003 Å
• α: 90°
• β: 103.83 ± 0.03°
• γ: 90°
• Cell volume: 2882.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No