Information card for entry 4317052

Structure parameters

• Formula: C42 H38 B Cu N4
• Calculated formula: C42 H38 B Cu N4
• Title of publication: Structural Comparison of Copper(I) and Copper(II) Complexes with Tris(2-pyridylmethyl)amine Ligand
• Authors of publication: William T. Eckenhoff; Tomislav Pintauer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10617 - 10626
• a: 11.552 ± 0.004 Å
• b: 13.797 ± 0.005 Å
• c: 21.629 ± 0.007 Å
• α: 89.62 ± 0.005°
• β: 81.377 ± 0.005°
• γ: 79.961 ± 0.005°
• Cell volume: 3355 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No