Information card for entry 4322591

Structure parameters

• Formula: C25 H48 F3 N4 O3 S Zn
• Calculated formula: C25 H48 F3 N4 O4 S Zn
• SMILES: [Zn]12([N](=CC=[N]2C(C)(C)C)C(C)(C)C)[N](=CC=[N]1C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.C1COCC1
• Title of publication: A Homologous Series of Homoleptic Zinc Bis(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene) Complexes: Kx[Zn(t-BuNCHCHN-t-Bu)2], Zn(t-BuNCHCHN-t-Bu)2, and [Zn(t-BuNCHCHN-t-Bu)2](OTf)x (x = 1, 2)
• Authors of publication: Evelien Rijnberg; Bodo Richter; Karl-H. Thiele; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 56 - 63
• a: 10.3077 ± 0.0006 Å
• b: 17.1974 ± 0.0006 Å
• c: 17.8241 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3159.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.0981
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No