Information card for entry 4331720

Structure parameters

• Formula: C31.5 H45 B2 Cl I2 N12 O3 W2
• Calculated formula: C31.5 H45 B2 Cl I2 N12 O3 W2
• Title of publication: π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten
• Authors of publication: Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 352 - 361
• a: 13.348 ± 0.001 Å
• b: 13.962 ± 0.002 Å
• c: 12.275 ± 0.002 Å
• α: 93.97 ± 0.01°
• β: 97.55 ± 0.01°
• γ: 97.3 ± 0.01°
• Cell volume: 2240.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.12
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No