Information card for entry 4336762

Structure parameters

• Formula: C20 H20 Br6 In2 N4
• Calculated formula: C20 H20 Br6 In2 N4
• SMILES: c1cccc[n]1[In]1([Br][In]([n]2ccccc2)([n]2ccccc2)([Br]1)(Br)Br)(Br)([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: 14.6209 ± 0.0004 Å
• b: 15.5436 ± 0.0005 Å
• c: 25.623 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5823.1 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No