Information card for entry 7017897

Structure parameters

• Formula: C40 H44 N2 O4 Zn
• Calculated formula: C40 H44 N2 O4 Zn
• SMILES: [Zn]12([N](=Cc3c1c1OCOc1cc3)c1c(cccc1C(C)C)C(C)C)[N](=Cc1c2c2OCOc2cc1)c1c(cccc1C(C)C)C(C)C
• 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: 10.6393 ± 0.0004 Å
• b: 18.9992 ± 0.0007 Å
• c: 17.3022 ± 0.0007 Å
• α: 90°
• β: 96.823 ± 0.001°
• γ: 90°
• Cell volume: 3472.7 ± 0.2 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: 0.0521
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No