Information card for entry 7011090

Structure parameters

• Common name: Complex 4
• Formula: C33 H66 N6 S6 V2
• Calculated formula: C32 H66 N6.84 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: 11.6163 ± 0.0014 Å
• b: 17.384 ± 0.002 Å
• c: 11.3268 ± 0.0013 Å
• α: 90°
• β: 100.518 ± 0.01°
• γ: 90°
• Cell volume: 2248.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No