Information card for entry 2008499

Structure parameters

• Chemical name: Sodium hydrogen dichloro(ethylenediaminetetra-acetate) ruthenium(III) eneahydrate
• Formula: C20 H47 Cl4 N4 Na O25 Ru2
• Calculated formula: C20 H46 Cl4 N4 Na O25 Ru2
• SMILES: [Ru]123(Cl)(Cl)OC(=O)C[N]2(CC(=O)O)CC[N]3(CC(=O)O1)CC(=[O][Na]([O]=C(O)C[N]12[Ru]3(Cl)(Cl)(OC(=O)C[N]3(CC(=O)O)CC2)OC(=O)C1)([OH2])([OH2])([OH2])[OH2])O.O.O.O.O.O
• Title of publication: Sodium hydrogen bis[dichloro(dihydrogen ethylenediaminetetraacetato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')ruthenium(III)] nonahydrate
• Authors of publication: Stadler, Eduardo; Stadler, Carlos C.; Peixoto, Carlos R. de M.; Vencato, Ivo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900051
• a: 8.332 ± 0.002 Å
• b: 13.766 ± 0.003 Å
• c: 17.264 ± 0.004 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 1980.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No