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Information card for entry 4323781
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4323781.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H82 Mg N8 O17 S8 |
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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 Å3 |
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 |
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