Information card for entry 4089438

Structure parameters

• Formula: C23 H30 I4 Ir2 O2
• Calculated formula: C23 H30 I4 Ir2 O2
• SMILES: [Ir]1234(I)(I)(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)CCC[c]12[Ir]345(I)(I)(C#[O])[c]1([c]3([c]4([c]25C)C)C)C
• 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: 15.299 ± 0.004 Å
• b: 13.816 ± 0.003 Å
• c: 14.935 ± 0.004 Å
• α: 90°
• β: 112.177 ± 0.003°
• γ: 90°
• Cell volume: 2923.3 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No