Information card for entry 2220257

Structure parameters

• Chemical name: Aquatricarbonyl(3,5,7-tribromotropolonato)rhenium(I) methanol solvate
• Formula: C11 H8 Br3 O7 Re
• Calculated formula: C11 H8 Br3 O7 Re
• SMILES: [Re]1([O]=C2C(=CC(=CC(=C2O1)Br)Br)Br)(C#[O])(C#[O])(C#[O])[OH2].OC
• Title of publication: Aquatricarbonyl(3,5,7-tribromotropolonato)rhenium(I) methanol solvate
• Authors of publication: Schutte, Marietjie; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1610 - m1611
• a: 9.09 ± 0.005 Å
• b: 9.379 ± 0.005 Å
• c: 10.01 ± 0.005 Å
• α: 109.569 ± 0.005°
• β: 94.285 ± 0.005°
• γ: 102.133 ± 0.005°
• Cell volume: 776.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes