Information card for entry 7710675

Structure parameters

• Formula: C27 H54 N3 O9 Sb3
• Calculated formula: C27 H54 N3 O9 Sb3
• SMILES: [Sb]123O[C@@H](C[N]3(C[C@H](O1)C)C[C@@H](O[Sb]13O[C@@H](C[N]3(C[C@H](O1)C)C[C@@H](O[Sb]13O[C@@H](C[N]3(C[C@H](O1)C)C[C@@H](O2)C)C)C)C)C)C.[Sb]123O[C@H](C[N]3(C[C@@H](O1)C)C[C@H](O[Sb]13O[C@H](C[N]3(C[C@@H](O1)C)C[C@H](O[Sb]13O[C@H](C[N]3(C[C@@H](O1)C)C[C@H](O2)C)C)C)C)C)C
• Title of publication: The complicating role of pnictogen bond formation in the solution-phase and solid-state structures of the heavier pnictogen atranes.
• Authors of publication: Moaven, Shiva; Villanueva, Olivia; Unruh, Daniel K.; Cozzolino, Anthony Frank
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.661 ± 0.003 Å
• b: 13.388 ± 0.004 Å
• c: 13.591 ± 0.006 Å
• α: 118.198 ± 0.006°
• β: 107.187 ± 0.006°
• γ: 101.12 ± 0.004°
• Cell volume: 1782 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No