Information card for entry 2210669

Structure parameters

• Chemical name: Di-μ-chloro-bis({methyl [N,N-bis(2-pyridylmethyl)amino]acetate- κ^4^N,N',N'',O}copper(II)) diperchlorate monohydrate
• Formula: C30 H36 Cl4 Cu2 N6 O13
• Calculated formula: C30 H36 Cl4 Cu2 N6 O13
• SMILES: c1cc2C[N]34Cc5[n]([Cu]4([n]2cc1)([O]=C(OC)C3)Cl)cccc5.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Di-μ-chloro-bis({methyl [<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)amino]acetate- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}copper(II)) diperchlorate monohydrate
• 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: 19.1398 ± 0.0007 Å
• b: 8.5993 ± 0.0003 Å
• c: 24.1605 ± 0.0008 Å
• α: 90°
• β: 111.38 ± 0.001°
• γ: 90°
• Cell volume: 3702.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No