Information card for entry 4067808

Structure parameters

• Formula: C61 H70 Cl10 Ir2 P4 Pd
• Calculated formula: C61 H70 Cl10 Ir2 P4 Pd
• SMILES: [Ir]1234(Cl)(Cl)([P]5(C[P]([Pd](Cl)(Cl)[P](C5)(C[P]([Ir]5678(Cl)(Cl)[c]9([c]8([c]7([c]6([c]59C)C)C)C)C)(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)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: 23.3745 ± 0.0005 Å
• b: 15.303 ± 0.0004 Å
• c: 18.1393 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6488.4 ± 0.3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 6
• 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: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No