Information card for entry 7008167

Structure parameters

• Formula: C78 H94 Cl4 Fe2 N12 O22
• Calculated formula: C78 H94 Cl4 Fe2 N12 O22
• Title of publication: 2:2 Fe(III):ligand and "adamantane core" 4:2 Fe(III):ligand (hydr)oxo complexes of an acyclic ditopic ligand.
• Authors of publication: Ghiladi, Morten; Larsen, Frank B.; McKenzie, Christine J.; Sotofte, Inger; Tuchagues, Jean-Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1687 - 1692
• a: 15.18 ± 0.003 Å
• b: 10.722 ± 0.002 Å
• c: 25.921 ± 0.005 Å
• α: 90°
• β: 95.24 ± 0.03°
• γ: 90°
• Cell volume: 4201.3 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.1555
• Weighted residual factors for significantly intense reflections: 0.1283
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No