Information card for entry 4071403

Structure parameters

• Formula: C47 H41 P2 Rh
• Calculated formula: C47 H41 P2 Rh
• SMILES: [Rh]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]4[cH]3[cH]2[cH]15.c1ccccc1
• Title of publication: Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]
• Authors of publication: Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3514
• a: 10.2753 ± 0.0009 Å
• b: 11.0726 ± 0.0011 Å
• c: 17.1524 ± 0.0017 Å
• α: 90.769 ± 0.011°
• β: 99.159 ± 0.011°
• γ: 98.058 ± 0.011°
• Cell volume: 1906.3 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No