Information card for entry 7113395

Structure parameters

• Common name: compound 3a BF4
• Formula: C32 H34 B F4 Ir N3 P Pd
• Calculated formula: C32 H34 B F4 Ir N3 P Pd
• SMILES: [Ir]1234(n5[n]6[Pd]78([P](Cc6cc5c5[n]1cccc5)(c1ccccc1)c1ccccc1)[CH2]=[CH]7C8)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• 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: 10.898 ± 0.006 Å
• b: 11.791 ± 0.008 Å
• c: 12.96 ± 0.008 Å
• α: 96.74 ± 0.02°
• β: 111.63 ± 0.02°
• γ: 95.51 ± 0.02°
• Cell volume: 1519.8 ± 1.6 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2532
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No