Information card for entry 7005078

Structure parameters

• Formula: C12 H16 F6 Fe N P
• Calculated formula: C12 H16 F6 Fe N P
• Title of publication: In vitro DNA scission activity of heterometallocenes.
• Authors of publication: Kowalski, Konrad; Suwaki, Natsuko; Zakrzewski, Janusz; White, Andrew J. P.; Long, Nicholas J.; Mann, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 743 - 748
• a: 6.772 ± 0.0016 Å
• b: 14.61 ± 0.003 Å
• c: 7.809 ± 0.003 Å
• α: 90°
• β: 107.73 ± 0.03°
• γ: 90°
• Cell volume: 735.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No