Information card for entry 2010960

Structure parameters

• Formula: C16 H22 Cl2 Cu N4 O4
• Calculated formula: C16 H22 Cl2 Cu N4 O4
• SMILES: [Cu]123(Cl)[n]4ccccc4C[N]1(CC[N]2(Cc1[n]3cccc1)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: [1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e197 - e197
• a: 11.044 ± 0.002 Å
• b: 11.085 ± 0.001 Å
• c: 15.858 ± 0.001 Å
• α: 90°
• β: 95.1 ± 0.009°
• γ: 90°
• Cell volume: 1933.7 ± 0.4 ų
• Cell temperature: 299 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes