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Information card for entry 4326729
Preview
Coordinates | 4326729.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C114 H37 N5 O3 Zn |
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Calculated formula | C114 H37 N5 O3 Zn |
SMILES | [Zn]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[n]1ccc(C2=C(C34C5(O2)c2c6c7c3c3c8c4c4c9c5c5c2c2c%10c6c6c7c7c3c3c%11c8c8c4c4c9c9c5c5c2c2c%10c%10c6c6c7c3c3c7c%11c8c8c4c4c%11c8c7c7c3c6c%10c3c2c(c5c94)c%11c73)C(=O)OCC)cc1 |
Title of publication | Synthesis and Structural Characterization of Some New Porphyrin-Fullerene Dyads and Their Application in Photoinduced H2 Evolution |
Authors of publication | Li-Cheng Song; Xu-Feng Liu; Zhao-Jun Xie; Fei-Xian Luo; Hai-Bin Song |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11162 - 11172 |
a | 22.499 ± 0.015 Å |
b | 13.855 ± 0.008 Å |
c | 27.354 ± 0.017 Å |
α | 90° |
β | 95.79 ± 0.007° |
γ | 90° |
Cell volume | 8483 ± 9 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1684 |
Residual factor for significantly intense reflections | 0.1358 |
Weighted residual factors for significantly intense reflections | 0.3272 |
Weighted residual factors for all reflections included in the refinement | 0.3522 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4326729.html
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structural data.