Information card for entry 7707283

Structure parameters

• Formula: C74 H149 B2 Fe6 N24 O12 S6 W2
• Calculated formula: C74 H149 B2 Fe6 N24 O12 S6 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: 24.0221 ± 0.0008 Å
• b: 18.0186 ± 0.0006 Å
• c: 23.9879 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10383 ± 0.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 8
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No