Information card for entry 7712030

Structure parameters

• Formula: C8 H18 N2 O6 Re2
• Calculated formula: C8 H18 N2 O6 Re2
• Title of publication: σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).
• Authors of publication: Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1030 - 1035
• a: 9.7251 ± 0.0009 Å
• b: 9.6283 ± 0.0009 Å
• c: 31.118 ± 0.003 Å
• α: 90°
• β: 96.23 ± 0.005°
• γ: 90°
• Cell volume: 2896.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No