Information card for entry 2227764

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[dibromidocopper(II)]
• Formula: C28 H32 Br4 Cu2 N6
• Calculated formula: C28 H32 Br4 Cu2 N6
• SMILES: C1c2cccc[n]2[Cu]2([N]1(Cc1cccc[n]21)CCCC[N]12Cc3cccc[n]3[Cu]2([n]2c(C1)cccc2)(Br)Br)(Br)Br
• Title of publication: [μ-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(2-pyridylmethyl)butane-1,4-diamine]bis[dibromidocopper(II)]
• 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: m1198
• a: 8.8613 ± 0.0006 Å
• b: 14.249 ± 0.001 Å
• c: 11.9488 ± 0.0009 Å
• α: 90°
• β: 98.588 ± 0.002°
• γ: 90°
• Cell volume: 1491.8 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.375
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes