Information card for entry 7046369

Structure parameters

• Formula: C38 H28 N6 O2 Zn
• Calculated formula: C38 H28 N6 O2 Zn
• Title of publication: Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.
• Authors of publication: Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14254 - 14262
• a: 17.4272 ± 0.0013 Å
• b: 11.361 ± 0.0009 Å
• c: 7.8374 ± 0.0006 Å
• α: 90°
• β: 91.846 ± 0.007°
• γ: 90°
• Cell volume: 1550.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No