Information card for entry 7707282

Structure parameters

• Formula: C70 H104 B2 Fe6 N16 S10 W2
• Calculated formula: C70 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: 27.096 ± 0.004 Å
• b: 19.118 ± 0.003 Å
• c: 20.286 ± 0.003 Å
• α: 90°
• β: 98.477 ± 0.002°
• γ: 90°
• Cell volume: 10394 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No