Information card for entry 2210721

Structure parameters

• Chemical name: Di-μ-chloro-bis{[N,N-bis(2-pyridylmethyl)glycine-κ^4^N,N',N'',O]copper(II)] diperchlorate acetonitrile tetrasolvate
• Formula: C18 H21 Cl2 Cu N5 O6
• Calculated formula: C18 H21 Cl2 Cu N5 O6
• SMILES: c1cccc2C[N]34Cc5cccc[n]5[Cu]4([n]12)([O]=C(O)C3)Cl.C(#N)C.C(#N)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Di-μ-chloro-bis{[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)glycine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]copper(II)] diperchlorate acetonitrile tetrasolvate
• Authors of publication: Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2453 - m2454
• a: 7.1238 ± 0.0006 Å
• b: 10.6609 ± 0.001 Å
• c: 14.9894 ± 0.0013 Å
• α: 92.919 ± 0.004°
• β: 91.266 ± 0.004°
• γ: 97.159 ± 0.004°
• Cell volume: 1127.58 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1316
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No