Information card for entry 4339832

Structure parameters

• Formula: C96 H96 P8 Pd2
• Calculated formula: C96 H96 P8 Pd2
• SMILES: [Pd]123[P](CC[P@]1(CC[P@]1([Pd]4([P](CC1)(c1ccccc1)c1ccccc1)[P@](CC[P@@]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).
• Authors of publication: Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8059 - 8070
• a: 14.8875 ± 0.0008 Å
• b: 16.5889 ± 0.0009 Å
• c: 19.0688 ± 0.0011 Å
• α: 105.936 ± 0.002°
• β: 100.285 ± 0.004°
• γ: 90.298 ± 0.003°
• Cell volume: 4448.3 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No