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Information card for entry 4502971
Preview
Coordinates | 4502971.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 Cl2 N4 Zn |
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Calculated formula | C32 H28 Cl2 N4 Zn |
SMILES | [Zn](Cl)(Cl)([n]1cn(c(c1c1ccccc1)c1ccccc1)C)[n]1cn(c(c1c1ccccc1)c1ccccc1)C |
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 | 9.7848 ± 0.0003 Å |
b | 14.0339 ± 0.0004 Å |
c | 21.6551 ± 0.0007 Å |
α | 90° |
β | 98.583 ± 0.003° |
γ | 90° |
Cell volume | 2940.35 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.072 |
Weighted residual factors for all reflections included in the refinement | 0.0744 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4502971.html
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Users of the data should acknowledge the original authors of the
structural data.