Information card for entry 2019121

Structure parameters

• Chemical name: Carbonyl[tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran hemisolvate
• Formula: C30 H47 B Cu N9 O4.5
• Calculated formula: C30 H47 B Cu N9 O4.5
• Title of publication: Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands
• Authors of publication: Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 947 - 953
• a: 15.1972 ± 0.0011 Å
• b: 15.787 ± 0.0011 Å
• c: 34.902 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8373.6 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes