Information card for entry 7238281

Structure parameters

• Chemical name: N,N,N',N'-tetraacetyl 1,4-diaminobutane Cu(OH2)2 (ClO4)2 (H2O)2
• Formula: C12 H24 Cl2 Cu N2 O14
• Calculated formula: C12 H24 Cl2 Cu N2 O14
• Title of publication: Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates
• Authors of publication: Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3218
• a: 7.3645 ± 0.0004 Å
• b: 12.3273 ± 0.0007 Å
• c: 11.7535 ± 0.0006 Å
• α: 90°
• β: 100.6 ± 0.003°
• γ: 90°
• Cell volume: 1048.83 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No