Information card for entry 7013299

Structure parameters

• Formula: C27 H37 I3 N3 O Sb
• Calculated formula: C27 H37 I3 N3 O Sb
• SMILES: [Sb](O)(c1c(cccc1)CN(C)C)(c1c(cccc1)CN(C)C)c1c(cccc1)CN(C)C.[I-](I)I
• 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: 16.357 ± 0.001 Å
• b: 14.1663 ± 0.0009 Å
• c: 14.0075 ± 0.0009 Å
• α: 90°
• β: 91.03 ± 0.001°
• γ: 90°
• Cell volume: 3245.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No