Information card for entry 7005089

Structure parameters

• Formula: C8 H16 Cl6 O5 Re2
• Calculated formula: C8 H16 Cl6 O5 Re2
• SMILES: [Re](O[Re](=O)(Cl)(Cl)(Cl)[O]1CCCC1)(=O)(Cl)(Cl)(Cl)[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: 8.285 ± 0.002 Å
• b: 9.252 ± 0.003 Å
• c: 12.07 ± 0.003 Å
• α: 91.525 ± 0.004°
• β: 90.116 ± 0.004°
• γ: 92.49 ± 0.004°
• Cell volume: 924 ± 0.4 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: 0.0574
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No