Information card for entry 2215666

Structure parameters

• Chemical name: Aqua(azido)(μ-azido)bis{2-[(2-dimethylaminoethylimino)methyl]- 6-methoxyphenolato}dicopper(II) monohydrate
• Formula: C24 H38 Cu2 N10 O6
• Calculated formula: C24 H38 Cu2 N10 O6
• SMILES: [Cu]1234(Oc5c(OC)cccc5C=[N]2CC[N]3(C)C)[O](c2c3[O]1[Cu]1([OH2])([N](=Cc3ccc2)CC[N]1(C)C)(N=N#N)[N]4=N#N)C.O
• Title of publication: Aqua(azido)(μ-azido)bis{2-[(2-dimethylaminoethylimino)methyl]-6-methoxyphenolato}dicopper(II) monohydrate
• Authors of publication: Yun-Peng Diao; Kun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2496 - m2497
• a: 16.232 ± 0.003 Å
• b: 13.54 ± 0.002 Å
• c: 13.997 ± 0.003 Å
• α: 90°
• β: 105.821 ± 0.002°
• γ: 90°
• Cell volume: 2959.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1186
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes