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Information card for entry 2016800
Preview
Coordinates | 2016800.cif |
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Structure factors | 2016800.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(μ~2~-chlorido)-bis{2-[1-(2-pyridylethylimino)ethyl]pyrrolato- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dicopper(II) |
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Formula | C26 H28 Cl2 Cu2 N6 |
Calculated formula | C26 H28 Cl2 Cu2 N6 |
SMILES | C1c2cccc[n]2[Cu]23([Cl][Cu]45(n6cccc6C(=[N]4CCc4cccc[n]54)C)[Cl]3)n3cccc3C(=[N]2C1)C |
Title of publication | Di-μ-chlorido-bis({2-[1-(2-pyridylethylimino)ethyl]pyrrolato-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)) |
Authors of publication | Li, Rongqing; Zhao, Pusu; Tang, Guodong; Tang, Xiaoling |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 10 |
Pages of publication | m339 - m341 |
a | 8.122 ± 0.002 Å |
b | 8.412 ± 0.003 Å |
c | 9.24 ± 0.003 Å |
α | 91.973 ± 0.008° |
β | 93.386 ± 0.009° |
γ | 92.464 ± 0.008° |
Cell volume | 629.2 ± 0.3 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0517 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0792 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2016800.html
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Users of the data should acknowledge the original authors of the
structural data.