Information card for entry 4060679

Structure parameters

• Formula: C29 H22 Ir2 O8 W2
• Calculated formula: C29 H22 Ir2 O8 W2
• SMILES: [Ir]12345([Ir]6789([W]%101%11%12%13%14(C3=O)(C7=O)([cH]1[cH]%11[c]%12([cH]%13[cH]1%14)C)[C]15([C]9%10([W]2613579(C4=O)(C8=O)[cH]1[cH]5[cH]7[c]3([cH]19)C)c1ccccc1)C)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Mixed-Metal Cluster Chemistry. 21. Synthesis and Crystallographic and Electrochemical Studies of Alkyne-Coordinated Group 6-Iridium Clusters Linked by Phenylenevinylene Groups
• Authors of publication: Nigel T. Lucas; Eleni G. A. Notaras; Marie P. Cifuentes; Mark G. Humphrey
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Pages of publication: 284 - 301
• a: 9.7099 ± 0.0002 Å
• b: 9.9514 ± 0.0002 Å
• c: 14.8062 ± 0.0003 Å
• α: 90°
• β: 105.411 ± 0.0011°
• γ: 90°
• Cell volume: 1379.24 ± 0.05 ų
• Cell temperature: 473.2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0295
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No