Information card for entry 4327124

Structure parameters

• Chemical name: bis(mu2-hydrogen-tris(3-mercapto-6-tert-butyl-pyridazin-2-yl)borato-S,S', S'')-di-copper(I) dichloromethane solvate (1:3)
• Formula: C51 H74 B2 Cl6 Cu2 N12 S6
• Calculated formula: C51 H74 B2 Cl6 Cu2 N12 S6
• Title of publication: Pyridazine Based Scorpionate Ligand in a Copper Boratrane Compound
• Authors of publication: Gernot Nuss; Gerald Saischek; Bastian N. Harum; Manuel Volpe; Ferdinand Belaj; Nadia C. Mösch-Zanetti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12632 - 12640
• a: 16.5494 ± 0.0006 Å
• b: 17.6573 ± 0.0007 Å
• c: 24.1261 ± 0.0009 Å
• α: 90°
• β: 107.479 ± 0.0009°
• γ: 90°
• Cell volume: 6724.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No