Information card for entry 4347679

Structure parameters

• Common name: azido-(2,2',2"-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)
• Chemical name: azido-(2,2',2"-boranetriyl-tris(6-tert-butylpyrida- zine-3(2H)-thione))-copper(I) acetonitrile solvate (2:1)
• Formula: C50 H69 B2 Cu2 N19 S6
• Calculated formula: C50 H69 B2 Cu2 N19 S6
• 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: 9.5053 ± 0.0004 Å
• b: 12.4791 ± 0.0006 Å
• c: 13.8509 ± 0.0006 Å
• α: 105.283 ± 0.002°
• β: 99.527 ± 0.002°
• γ: 95.101 ± 0.002°
• Cell volume: 1547.76 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No