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Information card for entry 1563418
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Coordinates | 1563418.cif |
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Original paper (by DOI) | HTML |
Formula | C56.5 H49.5 Cl F15 N5 O Zn |
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Calculated formula | C56.5 H49.5 Cl F15 N5 O Zn |
Title of publication | Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins |
Authors of publication | Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 15.303 ± 0.003 Å |
b | 16.985 ± 0.003 Å |
c | 20.28 ± 0.004 Å |
α | 92.31 ± 0.002° |
β | 94.162 ± 0.002° |
γ | 101.368 ± 0.002° |
Cell volume | 5146.1 ± 1.7 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1383 |
Residual factor for significantly intense reflections | 0.0853 |
Weighted residual factors for significantly intense reflections | 0.2113 |
Weighted residual factors for all reflections included in the refinement | 0.296 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
Diffraction radiation wavelength | 0.7829 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1563418.html
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Users of the data should acknowledge the original authors of the
structural data.