Information card for entry 7113396

Structure parameters

• Common name: compound 4a BF4
• Formula: C32.5 H35 B Cl F4 Ir N3 P Pd
• Calculated formula: C32.5 H35 B Cl F4 Ir N3 P Pd
• SMILES: [Ir]1234([P](Cc5n1[n]1[Pd]67([n]8c(c1c5)cccc8)[CH2]=[CH]6C7)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl.[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: 13.877 ± 0.009 Å
• b: 14.786 ± 0.013 Å
• c: 16.189 ± 0.014 Å
• α: 83.74 ± 0.04°
• β: 79.66 ± 0.03°
• γ: 88.57 ± 0.03°
• Cell volume: 3248 ± 5 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2412
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.662
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No