Information card for entry 7042230

Structure parameters

• Common name: 3
• Chemical name: [Cp*Fe(?-S(C6H4S2)(?-S2)FeCp*]
• Formula: C26 H34 Fe2 S5
• Calculated formula: C26 H34 Fe2 S5
• Title of publication: Synthesis, structural characterization and conversion of dinuclear iron-sulfur clusters containing the disulfide ligand: [Cp*Fe(μ-η(2):η(2)-bdt)(cis-μ-η(1):η(1)-S2)FeCp*], [Cp*Fe(μ-S(C6H4S2))(cis-μ-η(1):η(1)-S2)FeCp*], and [{Cp*Fe(bdt)}2(trans-μ-η(1):η(1)-S2)].
• Authors of publication: Ji, Xiaoxiao; Tong, Peng; Yang, Dawei; Wang, Baomin; Zhao, Jinfeng; Li, Yang; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3820 - 3824
• a: 15.281 ± 0.005 Å
• b: 21.433 ± 0.007 Å
• c: 8.29 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2715.1 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No