Information card for entry 7707281

Structure parameters

• Formula: C54 H104 B2 Fe6 N16 S10 W2
• Calculated formula: C54 H104 B2 Fe6 N16 S10 W2
• Title of publication: Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.
• Authors of publication: Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6840 - 6847
• a: 12.814 ± 0.005 Å
• b: 18.93 ± 0.008 Å
• c: 15.716 ± 0.006 Å
• α: 90°
• β: 95.057 ± 0.009°
• γ: 90°
• Cell volume: 3797 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No