Information card for entry 2016915

Structure parameters

• Common name: bis-O^2^-methylated dimethyl-1,6-hexanediamine diazeniumdiolate
• Chemical name: 1,1'-Dimethoxy-3,3'-dimethyl-2,2'-dioxido-3,3'-(hexane-1,6-diyl)ditriazene- 2,2'-diium
• Formula: C10 H24 N6 O4
• Calculated formula: C10 H24 N6 O4
• SMILES: CON=N(N(CCCCCCN(N(=NOC)=O)C)C)=O
• Title of publication: 1,1'-Dimethoxy-3,3'-dimethyl-3,3'-(hexane-1,6-diyl)bis(triazen-2-ium-2-olate): a nitric oxide donor
• Authors of publication: Zhou, Zhengrong; Reynolds, Melissa M.; Kampf, Jeff W.; Meyerhoff, Mark E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o1 - o2
• a: 6.7115 ± 0.0015 Å
• b: 9.4207 ± 0.0008 Å
• c: 12.1863 ± 0.0011 Å
• α: 90°
• β: 100.942 ± 0.002°
• γ: 90°
• Cell volume: 756.5 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes