Information card for entry 4314822

Structure parameters

• Common name: [(phd)ReO3Cl]
• Formula: C12 H6 Cl N2 O5 Re
• Calculated formula: C11.28 H5.64 Cl0.94 N1.88 O4.7 Re
• 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: 8.6523 ± 0.00016 Å
• b: 10.83956 ± 0.00017 Å
• c: 14.0402 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1316.79 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No