Information card for entry 7026473

Structure parameters

• Formula: C31 H52.5 B2 Br In N9.5 S4
• Calculated formula: C31 H52.5 B2 Br In N9.5 S4
• Title of publication: Bis(2-mercapto-1-R-imidazolyl)hydroborato complexes of aluminium, gallium, indium and thallium: compounds possessing gallium-gallium bonds and a trivalent thallium alkyl.
• Authors of publication: Yurkerwich, Kevin; Coleman, Fergal; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6939 - 6942
• a: 21.2905 ± 0.0017 Å
• b: 11.3455 ± 0.0009 Å
• c: 18.8012 ± 0.0015 Å
• α: 90°
• β: 112.659 ± 0.001°
• γ: 90°
• Cell volume: 4190.9 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No