Information card for entry 7011088

Structure parameters

• Common name: Complex 1
• Formula: C30 H67 Fe2 N5 O S6
• Calculated formula: C30 H67 Fe2 N5 O S6
• Title of publication: Dinuclear iron and vanadium complexes of the N(CH2CH2S)33− ligand with bridging oxide, nitride or cyanide
• Authors of publication: Sian C. Davies; David L. Hughes; Raymond L. Richards; J. Roger Sanders
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1442 - 1447
• a: 16.9292 ± 0.0015 Å
• b: 11.2912 ± 0.001 Å
• c: 22.06 ± 0.002 Å
• α: 90°
• β: 92.207 ± 0.007°
• γ: 90°
• Cell volume: 4213.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0889
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No