Information card for entry 7103220

Structure parameters

• Formula: C51 H46 B2 F15 In N6 S3
• Calculated formula: C51 H46 B2 F15 In N6 S3
• SMILES: [In]12([S]=C3N([BH](N4C(=[S]1)N(C=C4)C(C)(C)C)N1C(=[S]2)N(C=C1)C(C)(C)C)C=CN3C(C)(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(c(F)c(F)c1F)F.c1ccccc1.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: 12.1353 ± 0.0006 Å
• b: 12.5348 ± 0.0006 Å
• c: 20.0186 ± 0.001 Å
• α: 81.989 ± 0.001°
• β: 77.827 ± 0.001°
• γ: 70.812 ± 0.001°
• Cell volume: 2803.2 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No