Information card for entry 4075507

Structure parameters

• Formula: C48 H54 B11 Cl4 Fe O5 P3 Sn W
• Calculated formula: C48 H54 B11 Cl4 Fe O5 P3 Sn W
• Title of publication: Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)
• Authors of publication: Gädt, Torben; Eichele, Klaus; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3904
• a: 13.7646 ± 0.0006 Å
• b: 20.3159 ± 0.0009 Å
• c: 21.7745 ± 0.0011 Å
• α: 90°
• β: 102.298 ± 0.004°
• γ: 90°
• Cell volume: 5949.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No