Information card for entry 7707284

Structure parameters

• Formula: C52 H98 B2 Fe6 N30 O2 S6 W2
• Calculated formula: C52 H98 B2 Fe6 N30 O2 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: 10.9698 ± 0.0017 Å
• b: 11.9853 ± 0.0018 Å
• c: 15.905 ± 0.002 Å
• α: 72.82 ± 0.002°
• β: 83.033 ± 0.002°
• γ: 81.869 ± 0.002°
• Cell volume: 1970.7 ± 0.5 ų
• Cell temperature: 296 ± 2 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: 0.0527
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No