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Information card for entry 1512973
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1512973.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H39 Cl Cu2 N4 O8 |
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Calculated formula | C31 H39 Cl Cu2 N4 O8 |
SMILES | [Cu]12(Oc3ccccc3C(=[N]1CC[N]2(C)C)C)[O]=C(O[Cu]12Oc3ccccc3C(=[N]1CC[N]2(C)C)C)c1ccccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand |
Authors of publication | Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 396 |
Pages of publication | 66 - 71 |
a | 13.452 ± 0.002 Å |
b | 17.648 ± 0.003 Å |
c | 7.421 ± 0.0017 Å |
α | 90° |
β | 108.58 ± 0.005° |
γ | 90° |
Cell volume | 1669.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1128 |
Residual factor for significantly intense reflections | 0.0993 |
Weighted residual factors for significantly intense reflections | 0.2918 |
Weighted residual factors for all reflections included in the refinement | 0.3028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
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/1512973.html
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Users of the data should acknowledge the original authors of the
structural data.