Information card for entry 4089437

Structure parameters

• Formula: C29 H31 Cl2 I2 Ir P
• Calculated formula: C29 H31 Cl2 I2 Ir P
• 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: 15.339 ± 0.005 Å
• b: 10.283 ± 0.003 Å
• c: 18.689 ± 0.006 Å
• α: 90°
• β: 92.436 ± 0.006°
• γ: 90°
• Cell volume: 2945.2 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No