Information card for entry 7009055

Structure parameters

• Formula: C8 H12 B I N4 S2 Zn
• Calculated formula: C8 H12 B I N4 S2 Zn
• SMILES: [Zn]12(I)[S]=c3n(ccn3C)[BH]([H]2)n2c(=[S]1)n(cc2)C
• Title of publication: The synthesis and structural characterization of bis(mercaptoimidazolyl)hydroborato complexes of lithium, thallium and zinc †
• Authors of publication: Kimblin, Clare; Bridgewater, Brian M.; Hascall, Tony; Parkin, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 891
• a: 11.362 ± 0.002 Å
• b: 9.937 ± 0.002 Å
• c: 13.483 ± 0.003 Å
• α: 90°
• β: 110.31 ± 0.02°
• γ: 90°
• Cell volume: 1427.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.0799
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No