Information card for entry 7048224

Structure parameters

• Formula: C29.67 H33.33 Fe O2.33
• Calculated formula: C29.6667 H36 Fe O2.33333
• 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: 12.297 ± 0.0017 Å
• b: 12.7497 ± 0.0019 Å
• c: 25.59 ± 0.003 Å
• α: 88.487 ± 0.003°
• β: 82.088 ± 0.004°
• γ: 65.822 ± 0.003°
• Cell volume: 3623.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0933
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No