Information card for entry 7005086

Structure parameters

• Formula: C16 H36 Cl6 O9 Re2
• Calculated formula: C16 H36 Cl6 O9 Re2
• SMILES: C1OCCC1.C1CCCO1.O=[Re]([OH2])(Cl)(Cl)(Cl)O[Re](=O)([OH2])(Cl)(Cl)Cl.C1CCCO1.C1CCCO1
• Title of publication: Rhenium oxohalides: synthesis and crystal structures of ReO3Cl(THF)2, ReOCl4(THF), Re2O3Cl6(THF)2, and Re2O3Cl6(H2O)2.
• Authors of publication: Noh, Wontae; Girolami, Gregory S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 674 - 679
• a: 8.528 ± 0.005 Å
• b: 10.051 ± 0.005 Å
• c: 10.707 ± 0.006 Å
• α: 66.006 ± 0.008°
• β: 67.762 ± 0.008°
• γ: 67.683 ± 0.008°
• Cell volume: 747.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No