Information card for entry 2016800

Structure parameters

• Chemical name: Bis(μ~2~-chlorido)-bis{2-[1-(2-pyridylethylimino)ethyl]pyrrolato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dicopper(II)
• Formula: C26 H28 Cl2 Cu2 N6
• Calculated formula: C26 H28 Cl2 Cu2 N6
• SMILES: C1c2cccc[n]2[Cu]23([Cl][Cu]45(n6cccc6C(=[N]4CCc4cccc[n]54)C)[Cl]3)n3cccc3C(=[N]2C1)C
• Title of publication: Di-μ-chlorido-bis({2-[1-(2-pyridylethylimino)ethyl]pyrrolato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II))
• Authors of publication: Li, Rongqing; Zhao, Pusu; Tang, Guodong; Tang, Xiaoling
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m339 - m341
• a: 8.122 ± 0.002 Å
• b: 8.412 ± 0.003 Å
• c: 9.24 ± 0.003 Å
• α: 91.973 ± 0.008°
• β: 93.386 ± 0.009°
• γ: 92.464 ± 0.008°
• Cell volume: 629.2 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes