Information card for entry 1569078

Structure parameters

• Formula: C7 H18 B5 N3 O10
• Calculated formula: C7 H18 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: 9.3096 ± 0.0006 Å
• b: 9.3175 ± 0.0003 Å
• c: 9.3733 ± 0.0006 Å
• α: 76.598 ± 0.005°
• β: 85.611 ± 0.005°
• γ: 79.947 ± 0.004°
• Cell volume: 778.22 ± 0.08 ų
• Cell temperature: 99.9 ± 0.7 K
• Ambient diffraction temperature: 99.9 ± 0.7 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No