Information card for entry 7211726

Structure parameters

• Formula: C47 H40.33 N10.33 O2.33 Zn
• Calculated formula: C47 H40.3333 N10.3333 O2.33333 Zn
• 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: 32.437 ± 0.0012 Å
• b: 14.9728 ± 0.0004 Å
• c: 27.7263 ± 0.001 Å
• α: 90°
• β: 114.155 ± 0.004°
• γ: 90°
• Cell volume: 12286.9 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No