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Information card for entry 1565466
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1565466.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | nasr_1 |
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Chemical name | nasr_1 |
Formula | C24 H34 Cu N12 O8 |
Calculated formula | C24 H34 Cu N12 O8 |
SMILES | C1(NC(=CC(=O)[N]=1[Cu]([N]1=C(NC(=CC1=O)C)N)([N]1=C(NC(=CC1=O)C)N)[N]1=C(NC(=CC1=O)C)N)C)N.[O-]C(=O)C.[O-]C(=O)C |
Title of publication | Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one |
Authors of publication | Boubakri, Rim; Jelsch, Christian; Lefebvre, Frédéric; Kaminsky, Werner; Nasr, Cherif Ben; Kaabi, Kamel |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 502 |
Pages of publication | 119289 |
a | 14.212 ± 0.001 Å |
b | 14.212 ± 0.001 Å |
c | 16.6729 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3367.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/1565466.html
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Users of the data should acknowledge the original authors of the
structural data.