Information card for entry 2201384

Structure parameters

• Chemical name: μ-Ferrio-bis{carbonyl[μ-2,2',2''-nitrilotriethanethiolato(3-)- N,S,S',S'':S,S']iron(II)} benzene solvate
• Formula: C20 H30 Fe3 N2 O2 S6
• Calculated formula: C20 H30 Fe3 N2 O2 S6
• Title of publication: μ-Ferrio-bis{carbonyl[μ-2,2',2''-nitrilotriethanethiolato(3-)-<i>N,S,S</i>',<i>S</i>'':<i>S,S</i>']iron(II)} benzene solvate
• Authors of publication: Davies, Sian C.; Smith, Matt C.; Hughes, David L.; Evans, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m658 - m660
• a: 14.1644 ± 0.0012 Å
• b: 11.0663 ± 0.0015 Å
• c: 17.82 ± 0.002 Å
• α: 90°
• β: 97.226 ± 0.008°
• γ: 90°
• Cell volume: 2771.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes