Information card for entry 4336348

Structure parameters

• Formula: C64.88 H68.5 F6 O3.88 P5 Ru
• Calculated formula: C63 H61 O2 P4 Ru
• SMILES: [Ru]123([O]=C(O1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)[C@@H](C)[C@@H]([P]2(c1ccccc1)c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)[C@@H](C)[C@@H]([P]3(c1ccccc1)c1ccccc1)C
• Title of publication: Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands
• Authors of publication: Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11563 - 11572
• a: 12.0349 ± 0.0001 Å
• b: 23.1591 ± 0.0003 Å
• c: 21.533 ± 0.0003 Å
• α: 90°
• β: 97.339 ± 0.001°
• γ: 90°
• Cell volume: 5952.46 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No