Information card for entry 7104431

Structure parameters

• Formula: C56 H56 Cl3 N O3 P2 Ru
• Calculated formula: C56 H54 Cl3 N O3 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)([P](c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)(N=O)C(C(=O)OC)=CC1=Cc1ccc(cc1)C.ClCCl
• Title of publication: Vinylidene rutheniums with an electrostructurally-flexible NO ligand and their ruthenacyclobutene formation.
• Authors of publication: Yamaguchi, Mamoru; Arikawa, Yasuhiro; Nishimura, Yoshimasa; Umakoshi, Keisuke; Onishi, Masayoshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 2911 - 2913
• a: 10.957 ± 0.001 Å
• b: 15.466 ± 0.001 Å
• c: 17.537 ± 0.002 Å
• α: 78.638 ± 0.002°
• β: 71.9489 ± 0.0009°
• γ: 71.3085 ± 0.0008°
• Cell volume: 2660.7 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.397
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No