Information card for entry 4339830

Structure parameters

• Formula: C44 H47 Ni O0.5 P4
• Calculated formula: C44 H47 Ni O0.5 P4
• SMILES: [Ni]123[P](CC[P@]1(CC[P@@]2(CC[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• 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: 14.6487 ± 0.0002 Å
• b: 14.4641 ± 0.0002 Å
• c: 19.0842 ± 0.0002 Å
• α: 90°
• β: 90.1252 ± 0.0009°
• γ: 90°
• Cell volume: 4043.56 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No