Information card for entry 7024454

Structure parameters

• Formula: C21 H38 Fe K N3 Zn
• Calculated formula: C21 H38 Fe K N3 Zn
• Title of publication: Potassium-mediated zincation of ferrocene and ruthenocene: potassium, the architect behind supramolecular structural variations.
• Authors of publication: Clegg, William; Conway, Ben; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Russo, Luca
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 18.2193 ± 0.0007 Å
• b: 7.5981 ± 0.0004 Å
• c: 17.7793 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2461.23 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No