Information card for entry 7022672

Structure parameters

• Formula: C23 H29 Cl2 N3 O Ru S
• Calculated formula: C23 H25 Cl2 N3 O Ru S
• Title of publication: The synthesis and antiparasitic activity of aryl- and ferrocenyl-derived thiosemicarbazone ruthenium(II)-arene complexes.
• Authors of publication: Adams, Muneebah; Li, Yiqun; Khot, Heena; De Kock, Carmen; Smith, Peter J.; Land, Kirkwood; Chibale, Kelly; Smith, Gregory S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4677 - 4685
• a: 12.1626 ± 0.0009 Å
• b: 12.8067 ± 0.0009 Å
• c: 17.0022 ± 0.0013 Å
• α: 90°
• β: 109.213 ± 0.002°
• γ: 90°
• Cell volume: 2500.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No