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Information card for entry 7118584
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Coordinates | 7118584.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C97 H85 N5 Zn |
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Calculated formula | C97 H85 N5 Zn |
Title of publication | A quinoidal bis-phenalenyl-fused porphyrin with supramolecular organization and broad near-infrared absorption. |
Authors of publication | Diev, Vyacheslav V.; Femia, Denise; Zhong, Qiwen; Djurovich, Peter I.; Haiges, Ralf; Thompson, Mark E. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 9 |
Pages of publication | 1949 - 1952 |
a | 13.8075 ± 0.0004 Å |
b | 20.3411 ± 0.0007 Å |
c | 27.8465 ± 0.0009 Å |
α | 81.213 ± 0.003° |
β | 86.01 ± 0.003° |
γ | 75.367 ± 0.003° |
Cell volume | 7474.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2037 |
Residual factor for significantly intense reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.1683 |
Weighted residual factors for all reflections included in the refinement | 0.2144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7118584.html
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structural data.