Information card for entry 7011058

Structure parameters

• Formula: C33 H22 Fe3 O7 S2 W2
• Calculated formula: C33 H22 Fe3 O7 S2 W2
• Title of publication: Synthesis, structure and mechanism of formation of chalcogen-stabilised mixed-metal clusters featuring acetylide bridging and acetylide coupling
• Authors of publication: Pradeep Mathur; Moawia O. Ahmed; John H. Kaldis; Michael J. McGlinchey
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 619 - 629
• a: 10.8005 ± 0.0008 Å
• b: 16.9398 ± 0.0009 Å
• c: 18.5162 ± 0.0012 Å
• α: 90°
• β: 92.877 ± 0.003°
• γ: 90°
• Cell volume: 3383.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.0694
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No