Information card for entry 7026477

Structure parameters

• Formula: C28 H48 B2 Ga2 I2 N8 S4
• Calculated formula: C28 H48 B2 Ga2 I2 N8 S4
• SMILES: [BH2]1N2C(=[S][Ga](I)([Ga]3(I)[S]=C4N([BH2]N5C(=[S]3)N(C=C5)C(C)(C)C)C=CN4C(C)(C)C)[S]=C3N1C=CN3C(C)(C)C)N(C=C2)C(C)(C)C
• 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: 9.873 ± 0.009 Å
• b: 18.84 ± 0.017 Å
• c: 12.499 ± 0.012 Å
• α: 90°
• β: 110.952 ± 0.014°
• γ: 90°
• Cell volume: 2171 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No