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Information card for entry 4509397
Preview
Coordinates | 4509397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H42 Cl4 N18 O9 Zn2 |
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Calculated formula | C45 H42 Cl4 N18 O9 Zn2 |
SMILES | c1ccc(c[n]1[Zn](Cl)(Cl)[n]1cccc(c1)NC(=O)N1C(=O)N(C(=O)Nc2ccc[n](c2)[Zn]([n]2cccc(c2)NC(=O)N2CCN(C2=O)C(=O)Nc2cccnc2)(Cl)Cl)CC1)NC(=O)N1CCN(C1=O)C(=O)Nc1cccnc1 |
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 | 31.71 ± 0.003 Å |
b | 7.8001 ± 0.0009 Å |
c | 20.153 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4984.7 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0362 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4509397.html
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