Information card for entry 2240579

Structure parameters

• Chemical name: Tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate
• Formula: C18 H15 B F4 N3 O3 Re
• Calculated formula: C18 H15 B F4 N3 O3 Re
• Title of publication: Crystal structure of tricarbonyltris(pyridine-κ<i>N</i>)rhenium(I) tetrafluoridoborate
• Authors of publication: Ikotun, Adebomi A.; Coogan, Micheal P.; Owoseni, Abimbola A.; Bhuvanesh, Nattamai; Egharevba, Gabriel O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m106 - m107
• a: 8.1272 ± 0.0012 Å
• b: 18.718 ± 0.003 Å
• c: 13.046 ± 0.002 Å
• α: 90°
• β: 97.317 ± 0.009°
• γ: 90°
• Cell volume: 1968.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes