Information card for entry 7049579

Structure parameters

• Formula: C26 H44 Fe N3 P
• Calculated formula: C26 H44 Fe N3 P
• 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: 15.6619 ± 0.0011 Å
• b: 9.3742 ± 0.0006 Å
• c: 18.7966 ± 0.0013 Å
• α: 90°
• β: 108.622 ± 0.002°
• γ: 90°
• Cell volume: 2615.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No