Information card for entry 7125738

Structure parameters

• Formula: C18 H59 B20 I18 K N5 O7.5
• Calculated formula: C18 H58.9992 B20 I18 K N5 O7.5
• Title of publication: Versatile, one-pot introduction of nonahalogenated 2-ammonio-decaborate ions as boron cluster scaffolds into organic molecules; host-guest complexation with γ-cyclodextrin.
• Authors of publication: El Anwar, Suzan; Assaf, Khaleel I.; Begaj, Barbara; Samsonov, Maksim A.; RůŽičková, Zdeňka; Holub, Josef; Bavol, Dmytro; Nau, Werner M.; Gabel, Detlef; Grűner, Bohumír
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 91
• Pages of publication: 13669 - 13672
• a: 10.1189 ± 0.001 Å
• b: 20.238 ± 0.002 Å
• c: 22.11 ± 0.003 Å
• α: 64.047 ± 0.003°
• β: 88.647 ± 0.003°
• γ: 82.635 ± 0.003°
• Cell volume: 4034.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No