Information card for entry 7712028

Structure parameters

• Formula: C12 H14 N2 O8 Re2
• Calculated formula: C12 H14 N2 O8 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: 19.6709 ± 0.0019 Å
• b: 8.1455 ± 0.0007 Å
• c: 10.5288 ± 0.0009 Å
• α: 90°
• β: 103.923 ± 0.007°
• γ: 90°
• Cell volume: 1637.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No