Information card for entry 4347568

Structure parameters

• Formula: C24 H50 Fe2 N4 S2 Si4
• Calculated formula: C24 H50 Fe2 N4 S2 Si4
• SMILES: C[Si](C)(N([Fe]12([n]3cc(ccc3)C)S[Fe]2(N([Si](C)(C)C)[Si](C)(C)C)([n]2cc(ccc2)C)S1)[Si](C)(C)C)C
• Title of publication: Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.
• Authors of publication: Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4512 - 4518
• a: 8.918 ± 0.003 Å
• b: 9.868 ± 0.004 Å
• c: 12.062 ± 0.005 Å
• α: 108.984 ± 0.0018°
• β: 94.95 ± 0.004°
• γ: 115.36 ± 0.003°
• Cell volume: 874.8 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No