Information card for entry 7040298

Structure parameters

• Formula: C35 H57 Cl N O P2 Ru
• Calculated formula: C35 H57 Cl N O P2 Ru
• SMILES: [Ru]12(Cl)([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C1=C(N2c2c(cccc2C(C)C)C(C)C)CCC1)C#[O].c1ccccc1
• Title of publication: Synthesis of a sterically bulky diphosphine synthon and Ru(ii) complexes of a cooperative tridentate enamide-diphosphine ligand platform.
• Authors of publication: Annibale, Vincent T.; Ostapowicz, Thomas G.; Westhues, Stefan; Wambach, Truman C.; Fryzuk, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 16011 - 16025
• a: 10.9852 ± 0.0013 Å
• b: 18.066 ± 0.002 Å
• c: 20.127 ± 0.003 Å
• α: 69.079 ± 0.003°
• β: 79.6 ± 0.003°
• γ: 75.222 ± 0.003°
• Cell volume: 3589.9 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No