Information card for entry 7040301

Structure parameters

• Formula: C33 H57 N O2 P2 Ru
• Calculated formula: C33 H57 N O2 P2 Ru
• SMILES: [RuH2]1([P](C(C)(C)C)(C(C)(C)C)CC[P]1(C(C)(C)C)C1=C(Nc2c(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: 22.485 ± 0.005 Å
• b: 9.699 ± 0.002 Å
• c: 16.385 ± 0.004 Å
• α: 90°
• β: 108.632 ± 0.015°
• γ: 90°
• Cell volume: 3386 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No