Information card for entry 7103077

Structure parameters

• Formula: C68 H78 Cl22 N4 Zn2
• Calculated formula: C68 H78 Cl22 N4 Zn2
• 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: 13.151 ± 0.005 Å
• b: 15.312 ± 0.005 Å
• c: 23.978 ± 0.005 Å
• α: 81.542 ± 0.005°
• β: 77.6 ± 0.005°
• γ: 64.858 ± 0.005°
• Cell volume: 4260 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.162
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No