Information card for entry 4314820

Structure parameters

• Common name: [ReO3(Me3tach)[ReO4]
• Formula: C6 H15 N3 O7 Re2
• Calculated formula: C6 H15 N3 O7 Re2
• SMILES: [Re]12(=O)(=O)(=O)[N]3(C[N]1(C[N]2(C3)C)C)C.[Re](=O)(=O)(=O)[O-]
• Title of publication: Triazacyclohexane (tach) Complexes of High-Valent Rhenium: Syntheses of [(R3tach)ReO3]+ (R = -CH3, -CH2C6H5) and Its Substitution Reactions
• Authors of publication: Henrik Braband; Sebastian Imstepf; Michael Felber; Bernhard Spingler; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1283 - 1285
• a: 7.827 ± 0.0002 Å
• b: 13.2607 ± 0.0003 Å
• c: 12.9646 ± 0.0003 Å
• α: 90°
• β: 92.353 ± 0.002°
• γ: 90°
• Cell volume: 1344.48 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No