Information card for entry 4307803

Structure parameters

• Formula: C25.5 H25 B N4 O3.63 Re
• Calculated formula: C23 H20 B N6 O4 Re
• Title of publication: A Series of [3 + 2] Cycloaddition Products from the Reaction of Rhenium Oxo Complexes with Diphenyl Ketene
• Authors of publication: Michael Middleditch; James C. Anderson; Alexander J. Blake; Clare Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2797 - 2804
• a: 15.1042 ± 0.001 Å
• b: 8.3461 ± 0.0006 Å
• c: 21.8796 ± 0.0014 Å
• α: 90°
• β: 90.758 ± 0.002°
• γ: 90°
• Cell volume: 2757.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No