Information card for entry 4308480

Structure parameters

• Formula: C88 H112 Cl12 O8 P4 Ru2
• Calculated formula: C68 H64 Cl4 O4 P4 Ru2
• SMILES: [Ru]123(Cl)(Cl)[P](CC[O]2c2ccc([O]4[Ru]5(Cl)(Cl)([P](CC4)(c4ccccc4)c4ccccc4)[P](CC[O]5c4ccc([O]3CC[P]1(c1ccccc1)c1ccccc1)cc4)(c1ccccc1)c1ccccc1)cc2)(c1ccccc1)c1ccccc1
• Title of publication: Binuclear Ruthenium Macrocycles Formed via the Weak-Link Approach
• Authors of publication: Meisa S. Khoshbin; Maxim V. Ovchinnikov; Chad A. Mirkin; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 496 - 501
• a: 42.5605 ± 0.0018 Å
• b: 42.5605 ± 0.0018 Å
• c: 9.7061 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17581.6 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1393
• 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