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Information card for entry 7045054
Preview
Coordinates | 7045054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C79 H67 N15 O9 |
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Calculated formula | C79 H67 N15 O9 |
SMILES | [NH2+]=C(N)c1cc(C(=[NH2+])N)ccc1.n1ccccc1.O=C([O-])c1ccc(cc1)C1=c2[nH]c(=C(c3ccc(C(=O)[O-])cc3)c3nc(=C(c4ccc(C(=O)[O-])cc4)c4[nH]c(cc4)C(=c4nc1cc4)c1ccc(C(=O)[O-])cc1)cc3)cc2.[NH2+]=C(N)c1cc(C(=[NH2+])N)ccc1.n1ccccc1.n1ccccc1.O |
Title of publication | Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins. |
Authors of publication | Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 3 |
Pages of publication | 783 - 790 |
a | 10.0854 ± 0.0002 Å |
b | 20.0861 ± 0.0005 Å |
c | 20.4927 ± 0.0005 Å |
α | 109.178 ± 0.002° |
β | 103.485 ± 0.002° |
γ | 103.585 ± 0.002° |
Cell volume | 3586.88 ± 0.17 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0652 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for all reflections | 0.1204 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1202 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9755 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7045054.html
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Users of the data should acknowledge the original authors of the
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