Information card for entry 7026475

Structure parameters

• Formula: C32 H54 B2 I In N10 S4
• Calculated formula: C32 H54 B2 I In N10 S4
• SMILES: [In]12(I)([S]=c3n([BH2]n4c(=[S]1)n(cc4)C(C)(C)C)ccn3C(C)(C)C)[S]=c1n([BH2]n3c(=[S]2)n(cc3)C(C)(C)C)ccn1C(C)(C)C.C(#N)C.C(#N)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: 10.4479 ± 0.0011 Å
• b: 11.254 ± 0.0012 Å
• c: 19.202 ± 0.002 Å
• α: 100.971 ± 0.002°
• β: 91.7 ± 0.002°
• γ: 90.61 ± 0.002°
• Cell volume: 2215.2 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No