Information card for entry 2012616

Structure parameters

• Common name: cis-Dioxocyclam
• Chemical name: 1,4,8,11-Tetraazacyclotetradecane-5,7-dione
• Formula: C10 H20 N4 O2
• Calculated formula: C10 H20 N4 O2
• Title of publication: <i>cis</i>-Dioxocyclam
• Authors of publication: Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o226 - o227
• a: 15.1714 ± 0.0009 Å
• b: 9.019 ± 0.0005 Å
• c: 17.2111 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2355 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes