Information card for entry 4335204

Structure parameters

• Formula: C31 H33 Fe2 O9 P W2
• Calculated formula: C31 H33 Fe2 O9 P W2
• Title of publication: Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2]
• Authors of publication: M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7068 - 7077
• a: 9.2955 ± 0.0005 Å
• b: 16.2208 ± 0.0007 Å
• c: 21.1179 ± 0.0011 Å
• α: 90°
• β: 90.212 ± 0.002°
• γ: 90°
• Cell volume: 3184.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No