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Information card for entry 7015109
Preview
Coordinates | 7015109.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H30 Cl2 Cu N6 O8 |
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Calculated formula | C20 H30 Cl2 Cu N6 O8 |
SMILES | C1C[NH]2CC[N]3(CC[NH]4CC[N]51Cc1cccc[n]1[Cu]2345)Cc1ccccn1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | trans-Methylpyridine cyclen versus cross-bridged trans-methylpyridine cyclen. Synthesis, acid-base and metal complexation studies (metal = Co2+, Cu2+, and Zn2+). |
Authors of publication | Bernier, Nicolas; Costa, Judite; Delgado, Rita; Félix, Vítor; Royal, Guy; Tripier, Raphaël |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4514 - 4526 |
a | 12.176 ± 0.0005 Å |
b | 13.3778 ± 0.0006 Å |
c | 15.4238 ± 0.0006 Å |
α | 90° |
β | 93.146 ± 0.004° |
γ | 90° |
Cell volume | 2508.57 ± 0.18 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation probe | x-ray |
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/7015109.html
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