Information card for entry 2233576

Structure parameters

• Common name: (H2DAT 2 ClO4)
• Chemical name: 3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)
• Formula: C10 H24 Cl2 N4 O10
• Calculated formula: C10 H24 Cl2 N4 O10
• SMILES: CC(=O)NCC[NH2+]CC[NH2+]CCNC(=O)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: 3,12-Diaza-6,9-diazonia-2,13-dioxotetradecane bis(perchlorate)
• Authors of publication: Söhnel, Tilo; Wichmann, Kathrin A.; Doert, Thomas; Cooper, Garth J. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o333 - o334
• a: 6.0888 ± 0.0005 Å
• b: 10.9415 ± 0.0009 Å
• c: 14.816 ± 0.0011 Å
• α: 90°
• β: 110.846 ± 0.006°
• γ: 90°
• Cell volume: 922.44 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes