Information card for entry 7103078

Structure parameters

• Formula: C35 H44 Br Cu N2 O
• Calculated formula: C35 H44 Br Cu N2 O
• Title of publication: Synthesis and reactivity of tetrakis(imino)pyracene (TIP) ligands; bifunctional analogues of the BIAN ligand class.
• Authors of publication: Vasudevan, Kalyan V; Findlater, Michael; Cowley, Alan H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 1918 - 1919
• a: 13.719 ± 0.003 Å
• b: 13.4 ± 0.003 Å
• c: 19.628 ± 0.004 Å
• α: 90°
• β: 106.77 ± 0.03°
• γ: 90°
• Cell volume: 3454.9 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1318
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No