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Information card for entry 7216419
Preview
Coordinates | 7216419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H102 F6 N16 O30 Si |
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Calculated formula | C96 H102 F6 N16 O30 Si |
SMILES | C(COc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)[NH+](CCOc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1)CCOc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1.F[Si](F)(F)(F)([F-])[F-].N(C)(C)C=O.O.O.C(COc1ccc(cc1)NC(=O)c1ccc(N(=O)=O)cc1)[NH+](CCOc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1)CCOc1ccc(NC(=O)c2ccc(N(=O)=O)cc2)cc1.N(C)(C)C=O.O.O |
Title of publication | Dual modes of binding on the hexafluorosilicate anion by a C3v symmetric flexible tripodal amide ligand in solid state |
Authors of publication | Basu, Arghya; Chutia, Romen; Das, Gopal |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 4886 |
a | 13.1197 ± 0.0005 Å |
b | 13.1321 ± 0.0006 Å |
c | 15.7929 ± 0.0006 Å |
α | 108.655 ± 0.002° |
β | 105.033 ± 0.002° |
γ | 92.632 ± 0.002° |
Cell volume | 2464.94 ± 0.18 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1322 |
Residual factor for significantly intense reflections | 0.0608 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Weighted residual factors for all reflections included in the refinement | 0.1831 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.83 |
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/7216419.html
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Users of the data should acknowledge the original authors of the
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