Information card for entry 7710688

Structure parameters

• Formula: C29 H23 Fe N3 O3
• Calculated formula: C29 H23 Fe N3 O3
• Title of publication: Ferrocene-appended Anthraquinone and Coumarin as Redox-active Cytotoxins
• Authors of publication: Houshmand, Aryan; Heroux, Devon; Liu, Dennis; Zhou, Wen; Linington, Roger Gareth; Bally, Marcel; Warren, Jeffrey J.; Walsby, Charles John
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.5846 ± 0.0011 Å
• b: 10.9289 ± 0.0012 Å
• c: 12.3271 ± 0.0014 Å
• α: 96.266 ± 0.002°
• β: 104.325 ± 0.002°
• γ: 106.238 ± 0.002°
• Cell volume: 1178.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No