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Information card for entry 1500014
Preview
Coordinates | 1500014.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H26 Cl2 Cu N10 O9 |
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Calculated formula | C26 H26 Cl2 Cu N10 O9 |
SMILES | [Cu]1([n]2cccc3ccc4c([n]1ccc4)c23)([n]1cn[n]2c1nc(C)cc2C)([n]1cn[n]2c1nc(C)cc2C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative |
Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas |
Journal of publication | Polyhedron |
Year of publication | 2008 |
Journal volume | 27 |
Pages of publication | 2779 - 2784 |
a | 12.1033 ± 0.0005 Å |
b | 18.1364 ± 0.0007 Å |
c | 14.2061 ± 0.0005 Å |
α | 90° |
β | 102.712 ± 0.001° |
γ | 90° |
Cell volume | 3041.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0781 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/1500014.html
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