Information card for entry 4306525

Structure parameters

• Common name: di-t-butylaminebis(2,4,6-triphenylbenzenethiolato)iron(II)
• Formula: C59.5 H60 Fe N2 S2
• Calculated formula: C59.5 H60 Fe N2 S2
• Title of publication: Reactivity of a Sterically Hindered Fe(II) Thiolate Dimer with Amines and Hydrazines
• Authors of publication: Michael J. Zdilla; Atul K. Verma; Sonny C. Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11382 - 11390
• a: 11.188 ± 0.002 Å
• b: 12.099 ± 0.002 Å
• c: 19.913 ± 0.004 Å
• α: 104.66 ± 0.03°
• β: 92.79 ± 0.03°
• γ: 95.16 ± 0.03°
• Cell volume: 2590 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.1226
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No