Information card for entry 7051020

Structure parameters

• Common name: (nBu4N)[Re6Se5Cl9]
• Chemical name: tetra-n-butylammonium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)
• Formula: C16 H36 Cl9 N Re6 Se5
• Calculated formula: C16 H36 Cl9.05 N Re6 Se4.95
• 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: 10.775 ± 0.002 Å
• b: 17.101 ± 0.003 Å
• c: 10.602 ± 0.002 Å
• α: 100.83 ± 0.03°
• β: 99.62 ± 0.03°
• γ: 87.51 ± 0.03°
• Cell volume: 1891.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections: 1.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No