Information card for entry 1569080

Structure parameters

• Formula: C H11 B5 N4 O10
• Calculated formula: C H11 B5 N4 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: 7.487 ± 0.0002 Å
• b: 8.5076 ± 0.0002 Å
• c: 9.6502 ± 0.0002 Å
• α: 93.906 ± 0.002°
• β: 98.47 ± 0.002°
• γ: 96.457 ± 0.002°
• Cell volume: 601.88 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0302
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No