Information card for entry 2203953

Structure parameters

• Chemical name: catena-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]
• Formula: C25 H25 Cl2 Cu N3 O4
• Calculated formula: C25 H25 Cl2 Cu N3 O4
• SMILES: [Cu](Cl)(Cl)([n]1c(OCc2cc(cc(c2)COc2ncccc2)COc2ncccc2)cccc1)[n]1c(OCc2cc(cc(c2)COc2[n]([Cu](Cl)Cl)cccc2)COc2ncccc2)cccc1.CO.CO
• Title of publication: <i>catena</i>-Poly[[[dichlorocopper(II)]-μ-1,3,5-tris(2-pyridyloxymethyl)benzene] methanol solvate]
• Authors of publication: David J. Bray; Li-Ling Liao; Leonard F. Lindoy; John C. McMurtrie; Gang Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m918 - m920
• a: 12.7397 ± 0.0008 Å
• b: 15.6191 ± 0.001 Å
• c: 25.0173 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4978 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes