Information card for entry 7005088

Structure parameters

• Formula: C4 H8 Cl4 O2 Re
• Calculated formula: C4 H8 Cl4 O2 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)(=O)[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: 15.22 ± 0.004 Å
• b: 7.996 ± 0.002 Å
• c: 16.717 ± 0.007 Å
• α: 90°
• β: 91.089 ± 0.003°
• γ: 90°
• Cell volume: 2034.1 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No