Information card for entry 4342973

Structure parameters

• Formula: C29 H44 Cl3 Ir3 O2
• Calculated formula: C29 H44 Cl3 Ir3 O2
• SMILES: [Ir]123456(CC=[CH2][Ir]7892([Cl]1)([O]=C(O4)C)[CH]1=[CH]7CC[CH]8=[CH]9CC1)[CH]1=[CH]5CC[CH]3=[CH]6CC1.[Ir]123(Cl)(Cl)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Direct Synthesis and Bonding Properties of the First μ(2)-η(2),η(2)-Allyl-Bridged Diiridium Complex.
• Authors of publication: Riener, Korbinian; Zimmermann, Teresa K.; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Pages of publication: 150507080818000
• a: 22.1554 ± 0.0005 Å
• b: 17.0293 ± 0.0004 Å
• c: 17.3067 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6529.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No