Information card for entry 7035942

Structure parameters

• Formula: C40 H50 Ir2 N4
• Calculated formula: C40 H50 Ir2 N4
• SMILES: [Ir]123(c4n(cc[n]54)c4c(cc(cc4C)C)C)([CH]4=[CH]3CC[CH]1=[CH]2CC4)[n]1ccn(c1[Ir]1235[CH]4=[CH]1CC[CH]2=[CH]3CC4)c1c(cc(cc1C)C)C
• 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: 12.3621 ± 0.0004 Å
• b: 18.959 ± 0.0006 Å
• c: 17.3685 ± 0.0005 Å
• α: 90°
• β: 119.356 ± 0.002°
• γ: 90°
• Cell volume: 3548 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No