Information card for entry 4336226

Structure parameters

• Formula: C28 H23 Ir3 O9 W2
• Calculated formula: C28 H23 Ir3 O9 W2
• SMILES: [Ir]1234([Ir]567([Ir]89%10%11%121([W]1%13%14%1525([W]25%16%1736([cH]3[cH]2[cH]5[cH]%16[cH]%173)(C4=O)C#[O])([cH]2[cH]%15[cH]%14[cH]%13[cH]12)(C#[O])C%12=O)([cH]1[c]8([c]9([c]%10([c]%111C)C)C)C)C7=O)(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: 18.117 ± 0.004 Å
• b: 9.2527 ± 0.0019 Å
• c: 35.923 ± 0.007 Å
• α: 90°
• β: 94.42 ± 0.03°
• γ: 90°
• Cell volume: 6004 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No