Information card for entry 1569079

Structure parameters

• Formula: C6 H23 B6 N3 O13
• Calculated formula: C6 H23 B6 N3 O13
• Title of publication: Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations.
• Authors of publication: Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 3273
• a: 9.4957 ± 0.0001 Å
• b: 11.449 ± 0.0001 Å
• c: 16.8459 ± 0.0001 Å
• α: 90°
• β: 98.071 ± 0.001°
• γ: 90°
• Cell volume: 1813.28 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No