Information card for entry 4347678

Structure parameters

• Common name: azido-(2,2',2"-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)
• Chemical name: azido-(2,2',2"-boranetriyl-tris(6-tert-butylpyridazine-3(2H)-thione))-cop- per(I) dichloromethane solvate (2:1)
• Formula: C55 H80 B2 Cl2 Cu2 N18 S6
• Calculated formula: C55 H80 B2 Cl2 Cu2 N18 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: 9.8606 ± 0.0004 Å
• b: 19.8005 ± 0.001 Å
• c: 18.3543 ± 0.0008 Å
• α: 90°
• β: 92.2761 ± 0.0014°
• γ: 90°
• Cell volume: 3580.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No