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Information card for entry 7115873
Preview
Coordinates | 7115873.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H60 N6 Na8 O20 |
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Calculated formula | C64 H60 N6 Na8 O20 |
SMILES | [Na+].[Na+].[Na+].[Na+].O=C([O-])c1ccc(cc1)C1=c2nc(C(=c3[nH]c(=C(c4ccc(C(=O)[O-])cc4)c4nc(=C(c5[nH]c1cc5)c1ccc(C(=O)[O-])cc1)cc4)cc3)c1ccc(C(=O)[O-])cc1)cc2.O=C([O-])C.O=C([O-])C.O=C(N(C)C)C.O.[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C.[O-]C(=O)C.O=C(N(C)C)C.O |
Title of publication | Fixation of CO2 in bi-layered coordination networks of zinc tetra(4-carboxyphenyl)porphyrin with multi-component [Pr2Na3(NO3)(H2O)3] connectors |
Authors of publication | Goutam Nandi; Israel Goldberg |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13612 |
a | 6.4059 ± 0.0002 Å |
b | 16.3502 ± 0.0005 Å |
c | 17.8196 ± 0.0005 Å |
α | 98.109 ± 0.001° |
β | 94.056 ± 0.001° |
γ | 95.651 ± 0.001° |
Cell volume | 1831.95 ± 0.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0917 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1793 |
Weighted residual factors for all reflections included in the refinement | 0.1915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 0.71073 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/7115873.html
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Users of the data should acknowledge the original authors of the
structural data.