Information card for entry 7046366

Structure parameters

• Formula: C38 H30 Cl Fe N6 O3
• Calculated formula: C38 H29.992 Cl Fe N6 O2.996
• 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: 11.917 ± 0.009 Å
• b: 12.08 ± 0.03 Å
• c: 13.35 ± 0.012 Å
• α: 90.83 ± 0.14°
• β: 115.38 ± 0.09°
• γ: 92.78 ± 0.15°
• Cell volume: 1733 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No