Information card for entry 4336764

Structure parameters

• Formula: Cl6 I2
• Calculated formula: Cl6 I2
• SMILES: [I]1(Cl)(Cl)[Cl][I](Cl)(Cl)[Cl]1
• 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: 5.402 ± 0.0003 Å
• b: 5.6323 ± 0.0003 Å
• c: 8.307 ± 0.0004 Å
• α: 71.756 ± 0.005°
• β: 78.314 ± 0.005°
• γ: 81.092 ± 0.005°
• Cell volume: 233.93 ± 0.02 ų
• Cell temperature: 123.05 ± 0.1 K
• Ambient diffraction temperature: 123.05 ± 0.1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No