Information card for entry 4089439

Structure parameters

• Formula: C26 H32 Ir2 O4
• Calculated formula: C26 H32 Ir2 O4
• SMILES: C([Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)CCCC[c]12[c]3([c]4([c]5([c]1(C)[Ir]2345(C#[O])C#[O])C)C)C)C#[O])#[O]
• Title of publication: Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands
• Authors of publication: Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3253
• a: 12.634 ± 0.005 Å
• b: 8.193 ± 0.003 Å
• c: 13.626 ± 0.006 Å
• α: 90°
• β: 112.63 ± 0.006°
• γ: 90°
• Cell volume: 1301.8 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No