Information card for entry 7040300

Structure parameters

• Formula: C32 H53 N O P2 Ru
• Calculated formula: C32 H53 N O P2 Ru
• SMILES: [RuH]1234([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C1=C(N2c2c(cccc2[C]3(=[CH2]4)C)C(C)C)CCC1)C#[O]
• 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: 11.4375 ± 0.0009 Å
• b: 18.7399 ± 0.0019 Å
• c: 14.7262 ± 0.0014 Å
• α: 90°
• β: 98.732 ± 0.002°
• γ: 90°
• Cell volume: 3119.8 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No