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Information card for entry 4103952
Preview
Coordinates | 4103952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C276 H354 Cl4 N24 Na16 O168 S16 Zn4 |
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Calculated formula | C276 H204 Cl4 N24 Na16 O112 S16 Zn4 |
SMILES | n1c2ccc1=C(c1[nH]c(cc1)C(=c1nc(cc1)C(=c1[nH]c(=C2c2cc[n+](cc2)C)cc1)c1cc[n+](cc1)C)c1cc[n+](cc1)C)c1cc[n+](cc1)C.n1c2ccc1=C(c1[nH]c(cc1)C(=c1nc(cc1)C(=c1[nH]c(=C2c2cc[n+](cc2)C)cc1)c1cc[n+](cc1)C)c1cc[n+](cc1)C)c1cc[n+](cc1)C.n1c2ccc1=C(c1[nH]c(cc1)C(=c1nc(cc1)C(=c1[nH]c(=C2c2cc[n+](cc2)C)cc1)c1cc[n+](cc1)C)c1cc[n+](cc1)C)c1cc[n+](cc1)C.C1c2c3c(cc(c2)S(=O)(=O)[O-])Cc2c(c(Cc4c(c(Cc5c(c1cc(c5)S(=O)(=O)[O-])OCC(=O)[O-])cc(c4)S(=O)(=O)[O-])OCC(=O)O[Zn](OC(=O)COc1c4Cc5c(c(Cc6c(OCC(=O)O[Zn](OC(=O)CO3)(Cl)[O-])c(Cc3c(c(Cc1cc(c4)S(=O)(=O)[O-])cc(c3)S(=O)(=O)[O-])OCC(=O)[O-])cc(S(=O)(=O)[O-])c6)cc(c5)S(=O)(=O)[O-])OCC(=O)[O-])(Cl)[O-])cc(c2)S(=O)(=O)[O-])OCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.C1c2c3c(cc(c2)S(=O)(=O)[O-])Cc2c(c(Cc4c(c(Cc5c(c1cc(c5)S(=O)(=O)[O-])OCC(=O)[O-])cc(c4)S(=O)(=O)[O-])OCC(=O)O[Zn](OC(=O)COc1c4Cc5c(c(Cc6c(OCC(=O)O[Zn](OC(=O)CO3)(Cl)[O-])c(Cc3c(c(Cc1cc(c4)S(=O)(=O)[O-])cc(c3)S(=O)(=O)[O-])OCC(=O)[O-])cc(S(=O)(=O)[O-])c6)cc(c5)S(=O)(=O)[O-])OCC(=O)[O-])(Cl)[O-])cc(c2)S(=O)(=O)[O-])OCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O |
Title of publication | Nanoporous Crystals of Calixarene/Porphyrin Supramolecular Complex Functionalized by Diffusion and Coordination of Metal Ions |
Authors of publication | Rita De Zorzi; Nicol Guidolin; Lucio Randaccio; Roberto Purrello; Silvano Geremia |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 2487 - 2489 |
a | 49.14 ± 0.0007 Å |
b | 49.14 ± 0.0007 Å |
c | 49.8 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 120254 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1214 |
Residual factor for significantly intense reflections | 0.0985 |
Weighted residual factors for significantly intense reflections | 0.2575 |
Weighted residual factors for all reflections included in the refinement | 0.2825 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4103952.html
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