Information card for entry 2010726

Structure parameters

• Chemical name: 1,2R,4S,5-tetraammonio-3-amino-pentane tetrachloride - hydrate
• Formula: C5 H23 Cl4 N5 O
• Calculated formula: C5 H23 Cl4 N5 O
• Title of publication: Protonation products of pentaaminopentane as novel building blocks for hydrogen-bonded networks
• Authors of publication: Guido J. Reiss; Anja Zimmer; Kaspar Hegetschweiler
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 284 - 288
• a: 6.374 ± 0.001 Å
• b: 10.588 ± 0.002 Å
• c: 11.303 ± 0.002 Å
• α: 71.35 ± 0.03°
• β: 78.45 ± 0.03°
• γ: 85.97 ± 0.03°
• Cell volume: 708.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No