Information card for entry 7710689

Structure parameters

• Formula: C24 H21 Fe N3 O3
• Calculated formula: C24 H21 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: 5.7127 ± 0.0006 Å
• b: 29.914 ± 0.003 Å
• c: 12.0899 ± 0.0014 Å
• α: 90°
• β: 91.627 ± 0.002°
• γ: 90°
• Cell volume: 2065.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No