Information card for entry 1556661

Structure parameters

• Common name: hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)
• Chemical name: hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)
• Formula: C144 H204 B6 I6 N36 S18 Zn6
• Calculated formula: C144 H204 B6 I6 N36 S18 Zn6
• Title of publication: Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands
• Authors of publication: Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 24
• a: 29.161 ± 0.003 Å
• b: 30.102 ± 0.003 Å
• c: 31.045 ± 0.003 Å
• α: 90°
• β: 102.323 ± 0.002°
• γ: 90°
• Cell volume: 26624 ± 5 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: 0.0537
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No