Information card for entry 4101435

Structure parameters

• Formula: C12 H16 Na7 O36 Ru4
• Calculated formula: C12 Na7 O36 Ru4
• SMILES: C1(C(=O)[O-])=[O][Ru]234567(OC(=O)C(=O)O3)[O]3[Ru]89%10%112(O1)(OC(=O)C(=O)O8)[O]1[Ru]28%126%10(OC(=O)C(=O)O2)([O]=C(C(=O)[O-])O[Ru]273%111%12(OC(=O)C(=O)O2)[O]58)[O]49.[Na+].[Na+].[Na+].O.[Na+].O.O.O.[Na+].[Na+].[Na+].O.O.O.O
• Title of publication: A mixed-valent ruthenium-oxo oxalato cluster Na7[Ru4(mu3-O)4(C2O4)6] with potent anti-HIV activities.
• Authors of publication: Wong, Ella Lai-Ming; Sun, Raymond Wai-Yin; Chung, Nancy P-Y; Lin, Chen-Lung Steve; Zhu, Nianyong; Che, Chi-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 4938 - 4939
• a: 16.879 ± 0.003 Å
• b: 12.292 ± 0.003 Å
• c: 17.093 ± 0.003 Å
• α: 90°
• β: 105.37 ± 0.03°
• γ: 90°
• Cell volume: 3419.6 ± 1.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No