Information card for entry 1569082

Structure parameters

• Formula: C3 H14 B5 N3 O10
• Calculated formula: C3 H14 B5 N3 O10
• 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: 9.9747 ± 0.0002 Å
• b: 11.2563 ± 0.0003 Å
• c: 11.6174 ± 0.0003 Å
• α: 90°
• β: 96.084 ± 0.002°
• γ: 90°
• Cell volume: 1297.03 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No