Information card for entry 4323781

Structure parameters

• Formula: C56 H82 Mg N8 O17 S8
• Calculated formula: C56 H82 Mg N8 O17 S8
• Title of publication: Dithiacrown Ether Substituted Porphyrazines: Synthesis, Single-Crystal Structure, and Control of Aggregation in Solution by Complexation of Transition-Metal Ions
• Authors of publication: Cornelus F. van Nostrum; Franciscus B. G. Benneker; Hugo Brussaard; Huub Kooijman; Nora Veldman; Anthony L. Spek; Joop Schoonman; Martinus C. Feiters; Roeland J. M. Nolte
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 959 - 969
• a: 9.584 ± 0.003 Å
• b: 17.672 ± 0.002 Å
• c: 19.62 ± 0.004 Å
• α: 84.904 ± 0.014°
• β: 85.21 ± 0.02°
• γ: 89.29 ± 0.02°
• Cell volume: 3298.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1771
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections: 0.2228
• Weighted residual factors for significantly intense reflections: 0.1704
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No