Information card for entry 4347571

Structure parameters

• Formula: C42 H76 Fe4 N6 Na2 O2 S4 Si8
• Calculated formula: C42 H76 Fe4 N6 Na2 O2 S4 Si8
• 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: 12.371 ± 0.003 Å
• b: 24.482 ± 0.005 Å
• c: 23.672 ± 0.004 Å
• α: 90°
• β: 104.827 ± 0.003°
• γ: 90°
• Cell volume: 6931 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No