Information card for entry 7009054

Structure parameters

• Formula: C16 H24 B2 N8 S4 Tl2
• Calculated formula: C16 H24 B2 N8 S4 Tl2
• SMILES: [BH2](N1C(=S)N(C=C1)C)N1C(=S)N(C=C1)C.[Tl+]
• 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: 8.5696 ± 0.0004 Å
• b: 14.1642 ± 0.0007 Å
• c: 11.3006 ± 0.0005 Å
• α: 90°
• β: 111.966 ± 0.001°
• γ: 90°
• Cell volume: 1272.11 ± 0.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.0616
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No