Information card for entry 4067809

Structure parameters

• Formula: C61 H70 Cl10 Ir P4 Pd Rh
• Calculated formula: C61 H68 Cl10 Ir P4 Pd Rh
• SMILES: [Ir]1234(Cl)(Cl)([P](C[P]5([Pd](Cl)(Cl)[P](C[P]([Rh]6789(Cl)(Cl)[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)(C5)c5ccccc5)(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[C]5(C1([C]2(=[C]3(C45C)C)C)C)C.ClCCl.ClCCl
• Title of publication: Heterotrinuclear Complexes with Palladium, Rhodium, and Iridium Ions Assembled by Conformational Switching of a Tetraphosphine Ligand around a Palladium Center
• Authors of publication: Yoshii, Akiko; Takenaka, Hiroe; Nagata, Hiroko; Noda, Sayo; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 133
• a: 23.3351 ± 0.0007 Å
• b: 15.3353 ± 0.0004 Å
• c: 18.1485 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6494.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No