Information card for entry 4080718

Structure parameters

• Formula: C57 H71 N O2 P2 Ru
• Calculated formula: C57 H71 N O2 P2 Ru
• SMILES: [Ru]12(C#[O])(C#[O])[P](=C(c3[n]2c(C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands
• Authors of publication: Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 2918
• a: 14.6958 ± 0.0009 Å
• b: 9.821 ± 0.0007 Å
• c: 18.2435 ± 0.0014 Å
• α: 90°
• β: 102.543 ± 0.004°
• γ: 90°
• Cell volume: 2570.2 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.2128
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No