Information card for entry 7702839

Structure parameters

• Common name: ruthenoquine
• Chemical name: 7-chloro-quinolin-4-yl)-(2-dimethylaminomethyl- ruthenocen-1-ylmethyl)-amine
• Formula: C23 H24 Cl N3 Ru
• Calculated formula: C23 H24 Cl N3 Ru
• Title of publication: Synthesis and antimalarial activity in vitro of new ruthenocene–chloroquine analogues
• Authors of publication: Beagley, Paul; Blackie, Margaret A. L.; Chibale, Kelly; Clarkson, Cailean; Moss, John R.; Smith, Peter J.
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4426
• a: 7.8322 ± 0.0001 Å
• b: 12.6176 ± 0.0001 Å
• c: 21.1164 ± 0.0002 Å
• α: 90°
• β: 92.526 ± 0.001°
• γ: 90°
• Cell volume: 2084.77 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No