Information card for entry 7707285

Structure parameters

• Formula: C77 H119 B2 Fe6 N17 O S10 W2
• Calculated formula: C77 H119 B2 Fe6 N17 O 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: 14.222 ± 0.003 Å
• b: 25.989 ± 0.005 Å
• c: 28.267 ± 0.005 Å
• α: 76.25 ± 0.002°
• β: 89.471 ± 0.002°
• γ: 88.082 ± 0.002°
• Cell volume: 10143 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No