Information card for entry 2010957

Structure parameters

• Formula: C38 H39 Cl4 Cu2 N6 O4.5
• Calculated formula: C38 H39 Cl4 Cu2 N6 O4.5
• SMILES: [Cu]12(Cl)([n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1ccccc1)[Cl][Cu]12(Cl)[n]3ccccc3C[N]1(Cc1[n]2cccc1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: μ-Chloro-bis{[benzylbis(2-pyridylmethyl)amine-κ^3^<i>N</i>]chlorocopper(II)} perchlorate hemihydrate
• Authors of publication: Kani, Yoshiyuki; Ohba, Shigeru; Ito, Sayo; Nishida, Yuzo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e195 - e195
• a: 13.799 ± 0.002 Å
• b: 14.488 ± 0.002 Å
• c: 12.608 ± 0.002 Å
• α: 99.33 ± 0.01°
• β: 111.86 ± 0.01°
• γ: 113.14 ± 0.01°
• Cell volume: 2005.7 ± 0.6 ų
• Cell temperature: 300 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No