Information card for entry 4315688

Structure parameters

• Formula: C32 H72 Fe6 N8 O6 Se6
• Calculated formula: C32 H72 Fe6 N8 O6 Se6
• Title of publication: A New Hexanuclear Iron-Selenium Nitrosyl Cluster: Primary Exploration of the Preparation Methods, Structure, and Spectroscopic and Electrochemical Properties
• Authors of publication: Rongming Wang; Wei Xu; Jian Zhang; Lijuan Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4814 - 4819
• a: 12.0207 ± 0.0006 Å
• b: 11.8711 ± 0.0006 Å
• c: 18.5002 ± 0.0012 Å
• α: 90°
• β: 95.416 ± 0.004°
• γ: 90°
• Cell volume: 2628.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No