Information card for entry 2235303

Structure parameters

• Chemical name: Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido- dicopper(II) trihydrate
• Formula: C14 H26 Cl2 Cu2 N4 O5
• Calculated formula: C14 H26 Cl2 Cu2 N4 O5
• SMILES: Clc1cc2C=[N]3[Cu]4(Cl)(O[Cu]56[N](=Cc(c2[O]45)c1)CCC[NH2]6)[NH2]CCC3.O.O.O
• Title of publication: Chlorido{μ-2,6-bis[(2-aminoethyl)iminomethyl]-4-chlorophenolato}-μ-oxido-dicopper(II) trihydrate
• Authors of publication: Zhou, Jing-Jing; Xiao, Wei; Mao, Jia-Wei; Zhou, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m794 - m795
• a: 11.201 ± 0.005 Å
• b: 12.387 ± 0.007 Å
• c: 16.718 ± 0.007 Å
• α: 90°
• β: 93.18 ± 0.04°
• γ: 90°
• Cell volume: 2316 ± 1.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes