Information card for entry 4300798

Structure parameters

• Formula: C38 H54 N2 O2 P2 Ru
• Calculated formula: C38 H54 N2 O2 P2 Ru
• SMILES: [Ru]123([P](Cc4c3c(ccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([O]=C(N2c1ccccc1)Nc1ccccc1)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: 13.237 ± 0.0008 Å
• b: 14.0281 ± 0.0008 Å
• c: 21.1699 ± 0.0016 Å
• α: 79.378 ± 0.002°
• β: 74.244 ± 0.001°
• γ: 89.938 ± 0.001°
• Cell volume: 3713.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No