Information card for entry 7049580

Structure parameters

• Formula: C46 H74 Fe2 N4 P4
• Calculated formula: C46 H74 Fe2 N4 P4
• 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: 15.3428 ± 0.0007 Å
• b: 17.1185 ± 0.0009 Å
• c: 18.4549 ± 0.001 Å
• α: 90°
• β: 93.314 ± 0.003°
• γ: 90°
• Cell volume: 4839 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No