Information card for entry 4300797

Structure parameters

• Formula: C44 H75 N3 O P2 Ru
• Calculated formula: C44 H75 N3 O P2 Ru
• SMILES: [Ru]123([P](Cc4c3c(C[P]1(C(C)(C)C)C(C)(C)C)ccc4)(C(C)(C)C)C(C)(C)C)([N](=C(N2CCCCCC)NCCCCCC)c1ccccc1)C#[O]
• Title of publication: Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds
• Authors of publication: Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2895 - 2907
• a: 44.327 ± 0.01 Å
• b: 10.868 ± 0.002 Å
• c: 21.27 ± 0.005 Å
• α: 90°
• β: 116.77 ± 0.003°
• γ: 90°
• Cell volume: 9149 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2285
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No