Information card for entry 7028527

Structure parameters

• Formula: C48 H47 O2 P3 Ru
• Calculated formula: C48 H47 O2 P3 Ru
• SMILES: [Ru]12345([P]([C@@H]6O[C@@H]6[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Ligand-based molecular recognition and dioxygen splitting: an endo epoxide ending.
• Authors of publication: Sues, Peter E.; Forbes, Matthew W.; Lough, Alan J.; Morris, Robert H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4137 - 4145
• a: 22.1396 ± 0.0015 Å
• b: 11.6632 ± 0.0008 Å
• c: 33.324 ± 0.002 Å
• α: 90°
• β: 104.066 ± 0.002°
• γ: 90°
• Cell volume: 8346.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No