Information card for entry 4080613

Structure parameters

• Formula: C19 H8 Cu Ir4 N O11
• Calculated formula: C19 H8 Cu Ir4 N O11
• SMILES: [Ir]12([Ir]3456([Ir]7891([Ir]23([Cu]47([C]19=CC=CC=C1)[N]#CC)(C6=O)(C8=O)(C#[O])C#[O])(C5=O)C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding
• Authors of publication: Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 2416
• a: 9.5872 ± 0.0004 Å
• b: 18.1276 ± 0.0009 Å
• c: 30.2789 ± 0.0014 Å
• α: 90°
• β: 96.777 ± 0.001°
• γ: 90°
• Cell volume: 5225.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No