Information card for entry 7026480

Structure parameters

• Formula: C21 H35 B Cl In N6 S3
• Calculated formula: C21 H35 B Cl In N6 S3
• SMILES: [In]12(Cl)([S]=C3N([BH2]N4C(=[S]1)N(C=C4)C(C)(C)C)C=CN3C(C)(C)C)[S]=C1N2C=CN1C(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: 24.951 ± 0.003 Å
• b: 12.0422 ± 0.0016 Å
• c: 19.097 ± 0.003 Å
• α: 90°
• β: 97.109 ± 0.002°
• γ: 90°
• Cell volume: 5693.9 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.3102
• Weighted residual factors for all reflections included in the refinement: 0.3161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No