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Information card for entry 1563988
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1563988.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H30 Cd N2 O4 |
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Calculated formula | C40 H30 Cd N2 O4 |
SMILES | [Cd]12([O]=C(c3ccccc3)C=C(O1)c1ccccc1)([n]1ccc(c3ccncc3)cc1)([O]=C(c1ccccc1)C=C(O2)c1ccccc1)[n]1ccc(c2cc[n]([Cd]34([O]=C(c5ccccc5)C=C(O3)c3ccccc3)[O]=C(c3ccccc3)C=C(O4)c3ccccc3)cc2)cc1 |
Title of publication | Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies |
Authors of publication | Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2018 |
Journal volume | 482 |
Pages of publication | 717 - 725 |
a | 10.9938 ± 0.0009 Å |
b | 25.635 ± 0.003 Å |
c | 11.8497 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3339.6 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/1563988.html
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Users of the data should acknowledge the original authors of the
structural data.