Information card for entry 7012176

Structure parameters

• Formula: C24.25 H26.5 Cl0.5 Fe N2 O4
• Calculated formula: C24.25 H26 Cl0.5 Fe N2 O4
• Title of publication: Organometallic β-turn mimetics. A structural and spectroscopic study of inter-strand hydrogen bonding in ferrocene and cobaltocenium conjugates of amino acids and dipeptides
• Authors of publication: van Staveren, Dave R.; Weyhermüller, Thomas; Metzler-Nolte, Nils
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 2
• Pages of publication: 210
• a: 17.2236 ± 0.0014 Å
• b: 17.2236 ± 0.0014 Å
• c: 16.9834 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5038.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections: 0.2124
• Weighted residual factors for significantly intense reflections: 0.1965
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No