Information card for entry 4067805

Structure parameters

• Formula: C54 H63 Cl5 F6 O P5 Pd Rh
• Calculated formula: C54 H63 Cl5 F6 O P5 Pd Rh
• SMILES: [Pd]12(Cl)[P](C[P]([Rh]3456(Cl)(Cl)[c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(C[P]1(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• 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: 12.242 ± 0.004 Å
• b: 15.428 ± 0.005 Å
• c: 17.398 ± 0.006 Å
• α: 90.395 ± 0.004°
• β: 108.107 ± 0.004°
• γ: 109.157 ± 0.0015°
• Cell volume: 2928.5 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No