Information card for entry 4336350

Structure parameters

• Formula: C63 H61 F6 O2 P5 Ru
• Calculated formula: C63 H61 F6 O2 P5 Ru
• SMILES: c1(ccccc1C)[P@]1(c2ccccc2)CC[P@](c2ccccc2C)(c2ccccc2)[Ru]231([O]=C(c1ccccc1)O2)[P@@](c1ccccc1C)(c1ccccc1)CC[P@]3(c1ccccc1C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.3933 ± 0.0003 Å
• b: 20.089 ± 0.0004 Å
• c: 19.2867 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5576.7 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No