Information card for entry 7040302

Structure parameters

• Formula: C33 H55 N O2 P2 Ru
• Calculated formula: C33 H55 N O2 P2 Ru
• SMILES: [RuH]12([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])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: 10.6471 ± 0.0009 Å
• b: 34.438 ± 0.003 Å
• c: 9.4579 ± 0.0008 Å
• α: 90°
• β: 105.572 ± 0.002°
• γ: 90°
• Cell volume: 3340.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No