Information card for entry 7103222

Structure parameters

• Formula: C24 H37 B In N6 S3
• Calculated formula: C24 H37 B In N6 S3
• SMILES: [BH]12N3C(=[S][In]([S]=C4N1C=CN4C(C)(C)C)[S]=C1N2C=CN1C(C)(C)C)N(C(C)(C)C)C=C3.c1ccccc1
• Title of publication: Monovalent indium in a sulfur-rich coordination environment: synthesis, structure and reactivity of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato indium, [TmBut]In.
• Authors of publication: Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G; Parkin, Gerard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 28
• Pages of publication: 3305 - 3307
• a: 13.5112 ± 0.0004 Å
• b: 13.5112 ± 0.0004 Å
• c: 28.6753 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4533.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No