Information card for entry 4071398

Structure parameters

• Formula: C32 H31 Br P2 Ru
• Calculated formula: C32 H31 Br P2 Ru
• SMILES: [Ru]12345(Br)([P](c6ccccc6)(c6ccccc6)C[C@H]([P]1(c1ccccc1)c1ccccc1)C)[cH]1[cH]2[cH]3[cH]4[cH]51
• 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: 9.65602 ± 0.0001 Å
• b: 14.95694 ± 0.0001 Å
• c: 10.48788 ± 0.0001 Å
• α: 90°
• β: 112.479 ± 0.0012°
• γ: 90°
• Cell volume: 1399.62 ± 0.02 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0173
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No