Information card for entry 2209563

Structure parameters

• Formula: C12 H13 Br3 In N3
• Calculated formula: C12 H13 Br3 In N3
• SMILES: C1c2cccc[n]2[In]2([NH]1Cc1cccc[n]21)(Br)(Br)Br
• Title of publication: <i>fac</i>-[Bis(2-pyridylmethyl)amine-κ^3^<i>N</i>]tribromoindium(III)
• Authors of publication: Masumi Itazaki; Rie Ujihara; Hiroshi Nakazawa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1649 - m1650
• a: 13.995 ± 0.002 Å
• b: 14.227 ± 0.002 Å
• c: 7.9682 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1586.5 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes