Information card for entry 7704703

Structure parameters

• Formula: C15 H14 Fe O
• Calculated formula: C15 H14 Fe O
• Title of publication: Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.
• Authors of publication: Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 11504 - 11511
• a: 7.4133 ± 0.0005 Å
• b: 10.1403 ± 0.0008 Å
• c: 15.2345 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1145.22 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No