Information card for entry 7048228

Structure parameters

• Formula: C29 H33 Fe O2.5
• Calculated formula: C29 H33 Fe O2.5
• Title of publication: Synthesis, structure, docking and cytotoxic studies of ferrocene-hormone conjugates for hormone-dependent breast cancer application.
• Authors of publication: Carmona-Negrón, José A; Santana, Alberto; Rheingold, Arnold L.; Meléndez, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 5952 - 5964
• a: 10.0046 ± 0.0004 Å
• b: 11.4982 ± 0.0006 Å
• c: 11.6527 ± 0.0005 Å
• α: 64.265 ± 0.002°
• β: 74.577 ± 0.002°
• γ: 77.079 ± 0.003°
• Cell volume: 1154.96 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No