Information card for entry 4305514

Structure parameters

• Common name: 6
• Chemical name: [(1,3,9-trimethylxanthine-/KN^7^)(NH~3~)~5~Ru]^.^[ZnCl~4~]^.^Cl
• Formula: C8 H25 Cl5 N9 O2 Ru Zn
• Calculated formula: C8 H25 Cl5 N9 O2 Ru Zn
• SMILES: [Ru]([NH3])([NH3])([NH3])([NH3])([NH3])[n]1c2c(N(C(=O)N(C)C2=O)C)n(c1)C.[Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-]
• Title of publication: Solid-State Changes in Ligand-to-Metal Charge-Transfer Spectra of (NH3)5RuIII(2,4-dihydroxybenzoate) and (NH3)5RuIII(xanthine) Chromophores
• Authors of publication: Karsten Krogh-Jespersen; Robert T. Stibrany; Elizabeth John; John D. Westbrook; Thomas J. Emge; Michael J. Clarke; Joseph A. Potenza; Harvey J. Schugar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9813 - 9827
• a: 7.4212 ± 0.0003 Å
• b: 8.8688 ± 0.0003 Å
• c: 31.3964 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2066.42 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No