Information card for entry 7113398

Structure parameters

• Common name: compound 8
• Formula: C60 H62 Cl4 Ir2 N6 P2
• Calculated formula: C60 H62 Cl4 Ir2 N6 P2
• SMILES: [Ir]1234(n5nc(cc5c5[n]1cccc5)C[P]([Ir]1567([P](Cc8n1nc(c8)c1ncccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]5CC[CH]6=[CH]7CC1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl.ClCCl
• Title of publication: Selective synthesis of isomeric heterodinuclear complexes with switched metal arrangements via proton-induced reversible metal migration.
• Authors of publication: Dubs, Christian; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2760 - 2761
• a: 11.13 ± 0.018 Å
• b: 14.56 ± 0.02 Å
• c: 18.75 ± 0.02 Å
• α: 78.51 ± 0.06°
• β: 85.37 ± 0.06°
• γ: 71.38 ± 0.06°
• Cell volume: 2821 ± 7 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2282
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No