Information card for entry 7009053

Structure parameters

• Formula: C16 H24 B2 N8 S4 Zn
• Calculated formula: C16 H24 B2 N8 S4 Zn
• SMILES: [Zn]12([S]=c3n(ccn3C)[BH2]n3c(=[S]1)n(cc3)C)[S]=c1n(ccn1C)[BH2]n1c(=[S]2)n(cc1)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: 9.3268 ± 0.0013 Å
• b: 14.3927 ± 0.0019 Å
• c: 18.52 ± 0.003 Å
• α: 90°
• β: 93.811 ± 0.002°
• γ: 90°
• Cell volume: 2480.6 ± 0.6 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• 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: 0.0906
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No