Information card for entry 7009056

Structure parameters

• Formula: C9 H15 B N4 S2 Zn
• Calculated formula: C9 H15 B N4 S2 Zn
• SMILES: [Zn]12([S]=c3n([BH]([H]2)n2c(=[S]1)n(cc2)C)ccn3C)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: 7.652 ± 0.001 Å
• b: 13.822 ± 0.003 Å
• c: 13.469 ± 0.002 Å
• α: 90°
• β: 102.588 ± 0.007°
• γ: 90°
• Cell volume: 1390.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections: 0.1481
• Weighted residual factors for significantly intense reflections: 0.1164
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No