Information card for entry 4067810

Structure parameters

• Formula: C62 H72 Cl5 F6 O P5 Pd Rh2
• Calculated formula: C62 H72 Cl5 F6 O P5 Pd Rh2
• SMILES: [Pd]12(Cl)[Cl][Rh]3456(Cl)([P](C[P]2(C[P]([Rh]2789(Cl)(Cl)[c]%10([c]2([c]7([c]8([c]9%10C)C)C)C)C)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• 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: 10.848 ± 0.002 Å
• b: 33.528 ± 0.006 Å
• c: 19.391 ± 0.004 Å
• α: 90°
• β: 94.726 ± 0.003°
• γ: 90°
• Cell volume: 7029 ± 2 ų
• Cell temperature: 153 ± 3 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No