Information card for entry 4081921

Structure parameters

• Formula: C16 H18 Cl2 Ir2 N4 O4
• Calculated formula: C16 H18 Cl2 Ir2 N4 O4
• SMILES: C1(=[Ir](C#[O])(C#[O])Cl)N2CCCCN3C(=[Ir](C#[O])(C#[O])Cl)N4CCCCN1C4C23
• Title of publication: A Tetracyclic Bis(imidazolindiylidene) Ligand and Its Diiridium and Dipalladium Complexes
• Authors of publication: Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6445
• a: 9.272 ± 0.0003 Å
• b: 22.7873 ± 0.0008 Å
• c: 9.7352 ± 0.0003 Å
• α: 90°
• β: 94.71 ± 0.003°
• γ: 90°
• Cell volume: 2049.94 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No