Information card for entry 7006161

Structure parameters

• Chemical name: AL-3-163
• Formula: C74 H70 Cl4 N4 Zn2
• Calculated formula: C74 H70 Cl4 N4 Zn2
• SMILES: c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.[Zn]1(Cl)(Cl)[N](c2c(c3c(cc2)cccc3)c2c([N]3[Zn](Cl)(Cl)[n]4c(ccc5cccc(c45)C(C)C)C=3)ccc3ccccc23)=Cc2[n]1c1c(cc2)cccc1C(C)C
• Title of publication: Dinuclear zinc(II) complexes of symmetric Schiff-base ligands with extended quinoline sidearms.
• Authors of publication: Prema, Dipesh; Wiznycia, Alexander V.; Scott, Benjamin M. T.; Hilborn, Jessica; Desper, John; Levy, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4788 - 4796
• a: 17.5549 ± 0.001 Å
• b: 11.7013 ± 0.0007 Å
• c: 17.5582 ± 0.0011 Å
• α: 90°
• β: 116.636 ± 0.003°
• γ: 90°
• Cell volume: 3223.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No