Information card for entry 7026484

Structure parameters

• Formula: C16 H24 B2 Ga2 I2 N8 S4
• Calculated formula: C16 H24 B2 Ga2 I2 N8 S4
• SMILES: [BH2]1N2C(=[S][Ga](I)([S]=C3N1C=CN3C)[Ga]1(I)[S]=C3N([BH2]N4C(=[S]1)N(C=C4)C)C=CN3C)N(C=C2)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: 12.149 ± 0.003 Å
• b: 11.964 ± 0.003 Å
• c: 11.163 ± 0.003 Å
• α: 90°
• β: 121.214 ± 0.004°
• γ: 90°
• Cell volume: 1387.7 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No