Information card for entry 1556690

Structure parameters

• Formula: C14 H23 I14 N4 O
• Calculated formula: C14 H27 I14 N4 O
• Title of publication: Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes
• Authors of publication: Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.
• Journal of publication: Inorganics
• Year of publication: 2019
• Journal volume: 7
• Pages of publication: 48
• a: 9.226 ± 0.001 Å
• b: 13.06 ± 0.001 Å
• c: 17.377 ± 0.002 Å
• α: 90°
• β: 104.671 ± 0.003°
• γ: 90°
• Cell volume: 2025.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No