Information card for entry 7027969

Structure parameters

• Formula: C12 H27 O7 Re
• Calculated formula: C12 H27 O7 Re
• SMILES: [Re]1(=O)(=O)(=O)[OH]C(C)(C(O1)(C)C)C.OC(C)(C(O)(C)C)C
• Title of publication: Preparation and reactions of rhenium(VII) trioxo hydrogendiolato complexes and rhenium(VI) oxo bis(diolato) complexes
• Authors of publication: Edwards, Peter G.; Jokela, Jukka; Lehtonen, Ari; Sillanpää, Reijo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 19
• Pages of publication: 3287
• a: 12.184 ± 0.008 Å
• b: 11.217 ± 0.007 Å
• c: 13.864 ± 0.009 Å
• α: 90°
• β: 111.34 ± 0.05°
• γ: 90°
• Cell volume: 1765 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1111
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No