Information card for entry 4318273

Structure parameters

• Formula: C10 H9 N5 O6 Ru
• Calculated formula: C10 H9 N5 O6 Ru
• SMILES: [Ru]1(O)([n]2c(c3[n]1cccc3)cccc2)(N(=O)=O)(N(=O)=O)N=O
• Title of publication: Ligand Substitution, pH Dependent Deoxygenation, and Linkage Isomerization Reactions of the 2,2'-Bipyridinetetranitroruthenate Dianion
• Authors of publication: Daniel A. Freedman; Daron E. Janzen; Jennifer L. Vreeland; Hannah M. Tully; Kent R. Mann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3820 - 3829
• a: 6.5607 ± 0.0006 Å
• b: 14.2326 ± 0.0012 Å
• c: 14.5402 ± 0.0012 Å
• α: 90°
• β: 102.08 ± 0.001°
• γ: 90°
• Cell volume: 1327.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No