Information card for entry 7103225

Structure parameters

• Formula: C54 H80 B2 In N15 S6
• Calculated formula: C54 H80 B2 In N15 S6
• 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: 28.0261 ± 0.0017 Å
• b: 12.0762 ± 0.0008 Å
• c: 19.4918 ± 0.0012 Å
• α: 90°
• β: 101.905 ± 0.002°
• γ: 90°
• Cell volume: 6455.1 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No