Information card for entry 4030370

Structure parameters

• Formula: C46.13 H28.86 Cl0.68 N6 Pd
• Calculated formula: C46.129 H28.855 Cl0.676 N6 Pd
• Title of publication: Mono- and Bisquinoline-Annulated Porphyrins from Porphyrin β,β'-Dione Oximes.
• Authors of publication: Akhigbe, Joshua; Luciano, Michael; Zeller, Matthias; Brückner, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 499
• a: 14.6776 ± 0.0005 Å
• b: 7.0794 ± 0.0002 Å
• c: 32.3824 ± 0.0011 Å
• α: 90°
• β: 91.906 ± 0.0013°
• γ: 90°
• Cell volume: 3362.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No