Information card for entry 7211725

Structure parameters

• Formula: C45.5 H36.83 N9.83 O1.83 Zn
• Calculated formula: C26.6667 H16 N5.33333 Zn0.666667
• Title of publication: Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide
• Authors of publication: Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 387
• a: 23.958 ± 0.002 Å
• b: 23.958 ± 0.002 Å
• c: 15.0646 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8646.9 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No