Information card for entry 1572520

Structure parameters

• Formula: C14 H32 B10 N4 O20
• Calculated formula: C14 H32 B10 N4 O20
• SMILES: [B]12(OB(OB(O1)O)O)OB(O)OB(O2)O.c1n(cc[n+]1C)CCCCCCn1c[n+](cc1)C.[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: 9.6754 ± 0.0002 Å
• b: 16.7781 ± 0.0003 Å
• c: 9.1677 ± 0.0002 Å
• α: 90°
• β: 92.68 ± 0.002°
• γ: 90°
• Cell volume: 1486.61 ± 0.05 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: 0.0414
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No