Information card for entry 7051019

Structure parameters

• Common name: K[Re6Se5Cl9](H2O)2
• Chemical name: potassium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III) dihydrate
• Formula: Cl9 H4 K O2 Re6 Se5
• Calculated formula: Cl8.9 K O2 Re6 Se5.078
• Title of publication: Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]
• Authors of publication: Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 737 - 740
• a: 8.892 ± 0.001 Å
• b: 8.892 ± 0.001 Å
• c: 8.892 ± 0.001 Å
• α: 65.63 ± 0.017°
• β: 65.63 ± 0.017°
• γ: 65.63 ± 0.017°
• Cell volume: 557.92 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No