Information card for entry 7013672

Structure parameters

• Formula: C77.5 H96 Cl5 F12 Fe N6 O6.5 P2
• Calculated formula: C77.5 H96 Cl5 F12 Fe N6 O6.5 P2
• Title of publication: Diastereoselective synthesis of coordination compounds: a chiral tripodal ligand based on bipyridine units and its ruthenium(II) and iron(II) complexes.
• Authors of publication: Hamann, Christine; Von Zelewsky, Alexander; Neels, Antonia; Stoeckli-Evans, Helen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 402 - 406
• a: 11.2488 ± 0.0004 Å
• b: 26.3679 ± 0.0007 Å
• c: 27.9714 ± 0.0011 Å
• α: 90°
• β: 94.361 ± 0.003°
• γ: 90°
• Cell volume: 8272.5 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No