Information card for entry 4067806

Structure parameters

• Formula: C52 H57 Cl9 F6 Ir P5 Pd
• Calculated formula: C52 H57 Cl9 F6 Ir P5 Pd
• SMILES: [Ir]1234(Cl)(Cl)([P]5(C[P]([Pd]6(Cl)[P](C5)(C[P]6(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.38 ± 0.002 Å
• b: 14.534 ± 0.003 Å
• c: 17.841 ± 0.003 Å
• α: 80.825 ± 0.004°
• β: 75.642 ± 0.005°
• γ: 79.221 ± 0.004°
• Cell volume: 3033.4 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No