Information card for entry 2227765

Structure parameters

• Chemical name: [μ-<i>N</i>,<i>N</i>,<i>N'</i>,<i>N</i>'-Tetrakis(2-pyridylmethyl)butane- 1,4-diamine]bis[dichloridocopper(II)] trihydrate
• Formula: C28 H38 Cl4 Cu2 N6 O3
• Calculated formula: C28 H38 Cl4 Cu2 N6 O3
• Title of publication: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dichloridocopper(II)] trihydrate
• Authors of publication: Bartholomä, Mark; Cheung, Hoi; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1199 - m1200
• a: 11.4403 ± 0.0005 Å
• b: 10.023 ± 0.0005 Å
• c: 14.2943 ± 0.0007 Å
• α: 90°
• β: 106.143 ± 0.001°
• γ: 90°
• Cell volume: 1574.44 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes