Information card for entry 7017898

Structure parameters

• Formula: C28 H32 N2 O4 Zn
• Calculated formula: C28 H32 N2 O4 Zn
• SMILES: [N]1([Zn]2(c3c4OCOc4ccc3C=1)[N](=Cc1c2c2OCOc2cc1)C1CCCCC1)C1CCCCC1
• Title of publication: Isolation and characterization of main group and late transition metal complexes using orthometallated imine ligands.
• Authors of publication: Beck, John F.; Schmidt, Joseph A. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 860 - 870
• a: 12.04 ± 0.002 Å
• b: 17.36 ± 0.004 Å
• c: 12.56 ± 0.003 Å
• α: 90°
• β: 111.76 ± 0.03°
• γ: 90°
• Cell volume: 2438.2 ± 1 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 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: 0.0372
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No