Information card for entry 4089436

Structure parameters

• Formula: C36 H52 Ir2
• Calculated formula: C36 H52 Ir2
• SMILES: [Ir]1234567([CH]8CC[CH]1=[CH]2CC[CH]3=8)[c]1([c]7([c]6([c]5([c]41C)CC[c]12[c]3([Ir]456781([c]2([c]4([c]35C)C)C)[CH]1CC[CH]6=[CH]7CC[CH]8=1)C)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: 8.3107 ± 0.0017 Å
• b: 13.092 ± 0.003 Å
• c: 14.107 ± 0.003 Å
• α: 80.48 ± 0.03°
• β: 86.95 ± 0.03°
• γ: 80.75 ± 0.03°
• Cell volume: 1493.5 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No