Information card for entry 7011091

Structure parameters

• Common name: Complex 6
• Formula: C15 H32 Fe N3 S3
• Calculated formula: C15 H32 Fe N3 S3
• 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: 8.9215 ± 0.0009 Å
• b: 14.1773 ± 0.0014 Å
• c: 15.7017 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1986 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.1232
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No