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Information card for entry 4502973
Preview
Coordinates | 4502973.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 Br2 N4 Zn |
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Calculated formula | C32 H28 Br2 N4 Zn |
SMILES | [Zn](Br)(Br)([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 | 28.6569 ± 0.0004 Å |
b | 28.6569 ± 0.0004 Å |
c | 14.1002 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 11579.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 110 |
Hermann-Mauguin space group symbol | I 41 c d |
Hall space group symbol | I 4bw -2c |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0695 |
Weighted residual factors for all reflections included in the refinement | 0.071 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/4502973.html
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Users of the data should acknowledge the original authors of the
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