Information card for entry 2216932

Structure parameters

• Chemical name: Diacetonitrile[N,N'-bis(3,4,5-trimethoxybenzylidene)ethylenediamine]copper(I) perchlorate
• Formula: C26 H34 Cl Cu N4 O10
• Calculated formula: C26 H34 Cl Cu N4 O10
• SMILES: [Cu]1([N](=Cc2cc(OC)c(OC)c(OC)c2)CC[N]1=Cc1cc(OC)c(OC)c(OC)c1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Diacetonitrile[<i>N</i>,<i>N</i>'-bis(3,4,5-trimethoxybenzylidene)ethylenediamine]copper(I) perchlorate
• Authors of publication: Aliakbar Dehno Khalaji; Korbanjhon Brad; Yan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m189 - m189
• a: 9.869 ± 0.002 Å
• b: 11.903 ± 0.003 Å
• c: 14.904 ± 0.003 Å
• α: 80.537 ± 0.004°
• β: 71.677 ± 0.004°
• γ: 68.285 ± 0.004°
• Cell volume: 1541.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes