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Information card for entry 1512843
Preview
Coordinates | 1512843.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H22 Cl2 Cu2 N8 O6 |
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Calculated formula | C26 H22 Cl2 Cu2 N8 O6 |
SMILES | [Cu]123([Cl][Cu]45([Cl]1)OC(=O)C(=[N]5NC(=O)c1[n]4[nH]c(C)c1)c1ccccc1)OC(=O)C(=[N]3NC(=O)c1[n]2[nH]c(c1)C)c1ccccc1 |
Title of publication | Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies |
Authors of publication | Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 395 |
Pages of publication | 1 - 10 |
a | 16.524 ± 0.004 Å |
b | 7.958 ± 0.002 Å |
c | 21.913 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2881.5 ± 1.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0705 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1441 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512843.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512843.cif |
90990 | 2013-11-22 | cif/ Adding structures of 1512843 via cif-deposit CGI script. |
1512843.cif |
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Users of the data should acknowledge the original authors of the
structural data.