Information card for entry 7011089

Structure parameters

• Common name: Complex 2
• Formula: C22 H47 N5 S6 V2
• Calculated formula: C22.5 H21.6 N5 S6 V2
• 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: 15.587 ± 0.008 Å
• b: 17.7284 ± 0.0015 Å
• c: 24.016 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6636 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.1463
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections: 0.2239
• Weighted residual factors for significantly intense reflections: 0.1642
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No