Information card for entry 7035941

Structure parameters

• Formula: C40 H50 Ir2 N4
• Calculated formula: C40 H50 Ir2 N4
• SMILES: c12[n](ccn1c1c(cc(cc1C)C)C)[Ir]134([CH]5=[CH]1CC[CH]3=[CH]4CC5)[n]1c(n(cc1)c1c(cc(cc1C)C)C)[Ir]1342[CH]2=[CH]1CC[CH]3=[CH]4CC2
• Title of publication: Dinuclear iridium and rhodium complexes with bridging arylimidazolide-N(3),C(2) ligands: synthetic, structural, reactivity, electrochemical and spectroscopic studies.
• Authors of publication: He, Fan; Ruhlmann, Laurent; Gisselbrecht, Jean-Paul; Choua, Sylvie; Orio, Maylis; Wesolek, Marcel; Danopoulos, Andreas A.; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17030 - 17044
• a: 10.533 ± 0.003 Å
• b: 12.162 ± 0.003 Å
• c: 14.504 ± 0.004 Å
• α: 86.57 ± 0.006°
• β: 85.21 ± 0.006°
• γ: 69.345 ± 0.006°
• Cell volume: 1731.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No