Information card for entry 4116671

Structure parameters

• Formula: C56 H70 Cl16 Na3 O19 Ru2
• Calculated formula: C56 H64 Cl16 Na3 O19 Ru2
• SMILES: [Ru]12([Ru]34(Oc5c(O3)c(Cl)c(Cl)c(Cl)c5Cl)Oc3c(O4)c(Cl)c(Cl)c(Cl)c3Cl)(Oc3c(O1)c(Cl)c(Cl)c(Cl)c3Cl)([O]1CCCC1)Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl.[Na+].[Na+].[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1.O.O.O
• Title of publication: Novel Ligand-Unsupported Diruthenium Compounds, [Ru2(Cl4Cat)4]n- (Cl4Cat = Tetrachlorocatecholate; n=2 and 3)
• Authors of publication: Mitsuru Kondo; Mayumi Hamatani; Susumu Kitagawa; Cortlandt G. Pierpont; Kei Unoura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 455 - 456
• a: 20.428 ± 0.007 Å
• b: 21.657 ± 0.006 Å
• c: 9.443 ± 0.001 Å
• α: 93.5 ± 0.02°
• β: 101.26 ± 0.02°
• γ: 108.38 ± 0.02°
• Cell volume: 3854.3 ± 1.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 288.2 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 significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 2.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No