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Information card for entry 4509395
Preview
Coordinates | 4509395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H84 Cl12 N36 O18 Zn6 |
---|---|
Calculated formula | C90 H84 Cl12 N36 O18 Zn6 |
SMILES | c1cc2cc[n]1[Zn](Cl)(Cl)[n]1ccc(cc1)NC(=O)N1CCN(C(=O)Nc3cc[n](cc3)[Zn](Cl)(Cl)[n]3ccc(cc3)NC(=O)N3CCN(C(=O)Nc4cc[n](cc4)[Zn](Cl)(Cl)[n]4ccc(cc4)NC(=O)N4CCN(C(=O)Nc5cc[n](cc5)[Zn](Cl)(Cl)[n]5ccc(cc5)NC(=O)N5CCN(C(=O)Nc6cc[n](cc6)[Zn](Cl)(Cl)[n]6ccc(cc6)NC(=O)N6CCN(C(=O)Nc7cc[n](cc7)[Zn](Cl)(Cl)[n]7ccc(cc7)NC(=O)N7CCN(C(=O)N2)C7=O)C6=O)C5=O)C4=O)C3=O)C1=O |
Title of publication | Microporous Nanotubular Self-Assembly of a Molecular Chair |
Authors of publication | Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi |
Journal of publication | Crystal Growth & Design |
Year of publication | 2009 |
Journal volume | 9 |
Journal issue | 7 |
Pages of publication | 2979 |
a | 37.1385 ± 0.0014 Å |
b | 37.1385 ± 0.0014 Å |
c | 10.149 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 12122.8 ± 1.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1175 |
Residual factor for significantly intense reflections | 0.0699 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.1608 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/4509395.html
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