Information card for entry 1501606

Structure parameters

• Formula: C13 H24 N10 O5
• Calculated formula: C13 H24 N10 O5
• Title of publication: Hydrogen-Bonded networks in crystals built from bis(biguanides) and their salts
• Authors of publication: Olivier Lebel; Thierry Maris; James D. Wuest
• Journal of publication: Can J. Chem
• Year of publication: 2006
• Journal volume: 84
• Pages of publication: 1426 - 1433
• a: 9.9072 ± 0.0003 Å
• b: 10.1769 ± 0.0003 Å
• c: 11.0195 ± 0.0005 Å
• α: 77.297 ± 0.002°
• β: 67.906 ± 0.002°
• γ: 65.826 ± 0.002°
• Cell volume: 936.32 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No