Information card for entry 4336763

Structure parameters

• Formula: C15 H15 Br3 In N3
• Calculated formula: C15 H15 Br3 In N3
• SMILES: c1[n](cccc1)[In](Br)(Br)([n]1ccccc1)([n]1ccccc1)Br
• Title of publication: Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers
• Authors of publication: Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13207 - 13215
• a: 9.3125 ± 0.0001 Å
• b: 15.0076 ± 0.0002 Å
• c: 13.4349 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1877.64 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No