Information card for entry 7049577

Structure parameters

• Formula: C20 H30 Cl4 Fe N2 P2
• Calculated formula: C20 H30 Cl4 Fe N2 P2
• Title of publication: Controllable access to P-functional [3]ferrocenophane and [4]ferrocenophane frameworks.
• Authors of publication: Weller, Stefan; Schlindwein, Simon H.; Feil, Christoph M.; Kelemen, Zsolt; Buzsáki, Dániel; Nyulászi, László; Isenberg, Stefan; Pietschnig, Rudolf; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 6236 - 6247
• a: 6.1281 ± 0.0006 Å
• b: 11.3691 ± 0.0011 Å
• c: 17.4983 ± 0.0017 Å
• α: 90°
• β: 97.226 ± 0.006°
• γ: 90°
• Cell volume: 1209.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No