Information card for entry 2234653

Structure parameters

• Chemical name: Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>,<i>N</i>'-bis(pyridin-2- ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate
• Formula: C29 H34 Cl2 Cu N4 O5
• Calculated formula: C29 H34 Cl2 Cu N4 O5
• SMILES: c1cccc2C[N]3(Cc4ccccc4)CC[N]4(Cc5cccc[n]5[Cu]34(Cl)[n]12)Cc1ccccc1.CO.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate
• Authors of publication: Song, Hui-Ting; Mao, Jia-Wei; Liu, Ming; Pan, Zhi-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m694 - m695
• a: 17.8 ± 0.002 Å
• b: 10.5804 ± 0.0013 Å
• c: 18.107 ± 0.002 Å
• α: 90°
• β: 118.374 ± 0.001°
• γ: 90°
• Cell volume: 3000.4 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes