Information card for entry 1572523

Structure parameters

• Formula: C18 H46 B10 N2 O20
• Calculated formula: C18 H46 B10 N2 O20
• SMILES: [B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.C1CCC[N+]1(CCCCCC[N+]1(CCCC1)CC)CC.[B]12(OB(OB(O1)O)O)OB(OB(O2)O)O
• Title of publication: Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies
• Authors of publication: Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.
• Journal of publication: Inorganics
• Year of publication: 2024
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 220
• a: 10.0642 ± 0.0001 Å
• b: 11.5551 ± 0.0001 Å
• c: 15.7004 ± 0.0002 Å
• α: 90°
• β: 107.629 ± 0.001°
• γ: 90°
• Cell volume: 1740.1 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No