Information card for entry 4514920

Structure parameters

• Formula: Cl5 H24 N9 O2 Ru2
• Calculated formula: Cl4.5 H24 N9 O2 Ru2
• Title of publication: A Selective and Cell-Permeable Mitochondrial Calcium Uniporter (MCU) Inhibitor Preserves Mitochondrial Bioenergetics after Hypoxia/Reoxygenation Injury.
• Authors of publication: Woods, Joshua J.; Nemani, Neeharika; Shanmughapriya, Santhanam; Kumar, Akshay; Zhang, MengQi; Nathan, Sarah R.; Thomas, Manfred; Carvalho, Edmund; Ramachandran, Karthik; Srikantan, Subramanya; Stathopulos, Peter B.; Wilson, Justin J.; Madesh, Muniswamy
• Journal of publication: ACS central science
• Year of publication: 2019
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 153 - 166
• a: 8.5277 ± 0.0001 Å
• b: 7.6795 ± 0.0001 Å
• c: 13.5715 ± 0.0001 Å
• α: 90°
• β: 91.593 ± 0.001°
• γ: 90°
• Cell volume: 888.433 ± 0.017 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No