Information card for entry 7005087

Structure parameters

• Formula: C8 H16 Cl O5 Re
• Calculated formula: C8 H16 Cl O5 Re
• SMILES: [Re](=O)(=O)(=O)(Cl)([O]1CCCC1)[O]1CCCC1
• 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: 7.724 ± 0.002 Å
• b: 12.795 ± 0.003 Å
• c: 12.204 ± 0.003 Å
• α: 90°
• β: 98.412 ± 0.004°
• γ: 90°
• Cell volume: 1193.1 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No