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Information card for entry 4502980
Preview
Coordinates | 4502980.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H64 Cl8 N8 O11 Zn |
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Calculated formula | C66 H64 Cl8 N8 O11 Zn |
SMILES | [Zn]([n]1c[nH]c(c1c1ccccc1)c1ccccc1)([n]1c[nH]c(c1c1ccccc1)c1ccccc1)([n]1c[nH]c(c1c1ccccc1)c1ccccc1)[n]1c[nH]c(c1c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.OCC.OCC.O |
Title of publication | A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification |
Authors of publication | Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios |
Journal of publication | Crystal Growth & Design |
Year of publication | 2012 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 429 |
a | 12.7797 ± 0.0003 Å |
b | 12.0442 ± 0.0003 Å |
c | 44.9891 ± 0.0011 Å |
α | 90° |
β | 91.257 ± 0.002° |
γ | 90° |
Cell volume | 6923.1 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0784 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1632 |
Weighted residual factors for all reflections included in the refinement | 0.1685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4502980.html
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Users of the data should acknowledge the original authors of the
structural data.