Information card for entry 7712904

Structure parameters

• Formula: C26 H51 B Fe3 N17 S3 Si W
• Calculated formula: C26 H51 B Fe3 N17 S3 Si W
• Title of publication: Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors
• Authors of publication: Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.742 ± 0.004 Å
• b: 11.078 ± 0.005 Å
• c: 21.227 ± 0.009 Å
• α: 83.765 ± 0.005°
• β: 86.492 ± 0.005°
• γ: 87.819 ± 0.005°
• Cell volume: 2505.1 ± 1.8 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: 0.0852
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No