Information card for entry 7040127

Structure parameters

• Formula: C31 H28 Cl Fe N3 O
• Calculated formula: C31 H24.5 Cl Fe N3 O
• Title of publication: Mono- and multimeric ferrocene congeners of quinoline-based polyamines as potential antiparasitics.
• Authors of publication: Stringer, Tameryn; De Kock, Carmen; Guzgay, Hajira; Okombo, John; Liu, Jenny; Kanetake, Sierra; Kim, Jihwan; Tam, Christina; Cheng, Luisa W.; Smith, Peter J.; Hendricks, Denver T.; Land, Kirkwood M.; Egan, Timothy J.; Smith, Gregory S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13415 - 13426
• a: 10.156 ± 0.016 Å
• b: 40.86 ± 0.07 Å
• c: 12.657 ± 0.019 Å
• α: 90°
• β: 90.276 ± 0.017°
• γ: 90°
• Cell volume: 5252 ± 15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1082
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No