Information card for entry 7114522

Structure parameters

• Formula: C19 H40 B10 N O2 Re
• Calculated formula: C19 H40 B10 N O2 Re
• Title of publication: Alkyne coupling in rhenacarbaborane chemistry. Structure of [1,2-µ-NHBut-2,2-(CO)2-3,2-σ:η2-{C(CHBut)‒CHCHBut}-closo-2,1-ReCB10H9]
• Authors of publication: Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1004
• a: 11.4396 ± 0.0016 Å
• b: 15.369 ± 0.002 Å
• c: 15.377 ± 0.002 Å
• α: 90°
• β: 92.828 ± 0.012°
• γ: 90°
• Cell volume: 2700.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No