Information card for entry 7021555

Structure parameters

• Formula: C21 H42 Cl N O2 P2 Ru S
• Calculated formula: C21 H42 Cl N O2 P2 Ru S
• SMILES: C(C)(C)[P]1(OCC[S]2[RuH]1(Cl)([n]1ccccc1)[P](C(C)C)(C(C)C)OCC2)C(C)C
• Title of publication: Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.
• Authors of publication: Sgro, Michael J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10460 - 10472
• a: 11.0475 ± 0.0002 Å
• b: 17.0485 ± 0.0004 Å
• c: 13.8434 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2607.31 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No