Information card for entry 4078494

Structure parameters

• Formula: C45 H40 Cl5 O4 P4 Pd Rh3
• Calculated formula: C45 H40 Cl5 O4 P4 Pd Rh3
• SMILES: [Pd]123[Cl][Rh]4([Cl][Rh]([Cl]3)([P](C[P]1(CCC[P]2(C[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].[Rh](Cl)(Cl)(C#[O])C#[O]
• Title of publication: Cyclic Trinuclear Rh2M Complexes (M = Rh, Pt, Pd, Ni) Supported bymeso-1,3-Bis[(diphenylphosphinomethyl)phenylphosphino]propane
• Authors of publication: Nakajima, Takayuki; Kurai, Sachi; Noda, Sayo; Zouda, Maki; Kure, Bunsho; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4283
• a: 14.7507 ± 0.0011 Å
• b: 22.4667 ± 0.0014 Å
• c: 15.8882 ± 0.0013 Å
• α: 90°
• β: 113.48 ± 0.003°
• γ: 90°
• Cell volume: 4829.4 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No