Information card for entry 7113397

Structure parameters

• Common name: compound 5
• Formula: C29 H29 Ir N3 P
• Calculated formula: C29 H29 Ir N3 P
• SMILES: [Ir]1234([P](Cc5n1nc(c5)c1ncccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• 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: 9.341 ± 0.005 Å
• b: 9.958 ± 0.005 Å
• c: 13.571 ± 0.009 Å
• α: 92.45 ± 0.05°
• β: 102.39 ± 0.04°
• γ: 98.18 ± 0.02°
• Cell volume: 1216.9 ± 1.2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No