Information card for entry 7013300

Structure parameters

• Formula: C9 H12 I2 N Sb
• Calculated formula: C9 H12 I2 N Sb
• SMILES: [Sb]1(I)(I)c2ccccc2C[N]1(C)C
• Title of publication: Solid-state structure and solution behaviour of hypervalent organoantimony halides containing 2-(Me2NCH2)C6H4? moieties
• Authors of publication: Opris, Laura M.; Silvestru, Anca; Silvestru, Cristian; Breunig, Hans J.; Lork, Enno
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4367
• a: 9.9046 ± 0.0009 Å
• b: 8.4738 ± 0.0008 Å
• c: 15.8002 ± 0.0015 Å
• α: 90°
• β: 95.721 ± 0.002°
• γ: 90°
• Cell volume: 1319.5 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No