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Information card for entry 7224025
Preview
Coordinates | 7224025.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | E,E-N3,N3'-Bis(2-hydroxybenzylidene)-(2,2'-bipyridine)-3,3'-diamine |
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Formula | C24 H18 N4 O2 |
Calculated formula | C24 H18 N4 O2 |
SMILES | n1cccc(/N=C/c2c(O)cccc2)c1c1ncccc1/N=C/c1c(O)cccc1 |
Title of publication | Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand |
Authors of publication | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 1892 |
a | 8.2616 ± 0.0005 Å |
b | 11.0442 ± 0.0007 Å |
c | 11.8712 ± 0.0007 Å |
α | 69.313 ± 0.004° |
β | 76.743 ± 0.004° |
γ | 71.691 ± 0.004° |
Cell volume | 953.45 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0836 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1435 |
Weighted residual factors for all reflections included in the refinement | 0.1585 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.376 |
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/7224025.html
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Users of the data should acknowledge the original authors of the
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