Information card for entry 4308837

Structure parameters

• Formula: C40 H66 Cl4 Fe6 N10 O17
• Calculated formula: C40 H60 Cl4 Fe6 N10 O17
• Title of publication: Synthesis, Structural Characterization, and Magnetic Studies of Polynuclear Iron Complexes with a New Disubstituted Pyridine Ligand
• Authors of publication: Hayley A. Burkill; Neil Robertson; Ramón Vilar; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3337 - 3346
• a: 29.052 ± 0.008 Å
• b: 21.79 ± 0.006 Å
• c: 10.205 ± 0.002 Å
• α: 90°
• β: 98.36 ± 0.02°
• γ: 90°
• Cell volume: 6392 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.2135
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections: 0.2978
• Weighted residual factors for significantly intense reflections: 0.1886
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.227
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No