Information card for entry 4305513

Structure parameters

• Common name: 3
• Chemical name: [(NH~3~)~5~Ru(III))(2,4-dihydroxybenzoate)] ^.^SO~4~^.^2 H~2~O
• Formula: C7 H24 N5 O10 Ru S
• Calculated formula: C7 H24 N5 O10 Ru S
• 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: 15.485 ± 0.0008 Å
• b: 7.6969 ± 0.0004 Å
• c: 14.9386 ± 0.0008 Å
• α: 90°
• β: 107.845 ± 0.001°
• γ: 90°
• Cell volume: 1694.82 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No