Information card for entry 4347675

Structure parameters

• Common name: (2,2',2"-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)
• Chemical name: (2,2',2"-boranetriyltris(6-tert-butylpyridazine-3(2H)-thione))- (trifluoromethanesulfonato)-copper(I)
• Formula: C28 H39 B Cu F3 N6 O3 S4
• Calculated formula: C28 H39 B Cu F3 N6 O3 S4
• Title of publication: Thiopyridazine-Based Copper Boratrane Complexes Demonstrating the Z-type Nature of the Ligand.
• Authors of publication: Holler, Stefan; Tüchler, Michael; Belaj, Ferdinand; Veiros, Luis F.; Kirchner, Karl; Mösch-Zanetti, Nadia C
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4980 - 4991
• a: 9.7806 ± 0.0004 Å
• b: 12.2287 ± 0.0005 Å
• c: 15.9639 ± 0.0007 Å
• α: 108.487 ± 0.0018°
• β: 96.4871 ± 0.0019°
• γ: 98.3205 ± 0.0018°
• Cell volume: 1765.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No