Information card for entry 2208472

Structure parameters

• Chemical name: [Bis(3-methyl-2-thioxo-2,3-dihydro-1H-imidazolyl)borate- κ^2^S,S']dibromoindium(III)
• Formula: C8 H12 B Br2 In N4 S2
• Calculated formula: C8 H12 B Br2 In N4 S2
• SMILES: [BH2]1N2C(N(C=C2)C)=[S][In](Br)([S]=C2N(C=CN12)C)Br
• Title of publication: [Bis(3-methyl-2-thioxo-2,3-dihydro-1<i>H</i>-imidazolyl)borato-κ^2^<i>S</i>,<i>S</i>']dibromoindium(III)
• Authors of publication: Sarah C. Hill; Daniel S. Jones; Daniel Rabinovich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m702 - m704
• a: 8.6314 ± 0.0011 Å
• b: 13.3019 ± 0.0018 Å
• c: 13.891 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No