Information card for entry 4345265

Structure parameters

• Formula: Cl4 H26 N8 O3 Ru2
• Calculated formula: Cl4 H26 N8 O3 Ru2
• SMILES: [NH3][Ru](O)([NH3])([NH3])([NH3])O[Ru]([NH3])([NH3])([NH3])([NH3])O.[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Synthetic Methods for the Preparation of a Functional Analogue of Ru360, a Potent Inhibitor of Mitochondrial Calcium Uptake.
• Authors of publication: Nathan, Sarah R.; Pino, Nicholas W.; Arduino, Daniela M.; Perocchi, Fabiana; MacMillan, Samantha N.; Wilson, Justin J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3123 - 3126
• a: 8.2808 ± 0.0005 Å
• b: 11.7183 ± 0.0007 Å
• c: 9.0833 ± 0.0005 Å
• α: 90°
• β: 96.612 ± 0.003°
• γ: 90°
• Cell volume: 875.55 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No