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Information card for entry 2208257
Preview
Coordinates | 2208257.cif |
---|---|
Structure factors | 2208257.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[2,4,6-triisopropyl-N-(quinolin-8-yl)benzenesulfonamidato-κ^2^N,N']zinc(II) |
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Formula | C48 H58 N4 O4 S2 Zn |
Calculated formula | C48 H58 N4 O4 S2 Zn |
SMILES | c1ccc2cccc3c2[n]1[Zn]1(N3S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)[n]2cccc3cccc(c23)N1S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |
Title of publication | Bis[2,4,6-triisopropyl-<i>N</i>-(quinolin-8-yl)benzenesulfonamidato-κ^2^<i>N</i>,<i>N</i>']zinc(II) |
Authors of publication | Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m516 - m517 |
a | 9.9732 ± 0.0006 Å |
b | 14.3281 ± 0.0008 Å |
c | 17.0425 ± 0.0008 Å |
α | 71.723 ± 0.005° |
β | 79.277 ± 0.004° |
γ | 69.875 ± 0.005° |
Cell volume | 2162.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 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/2208257.html
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Users of the data should acknowledge the original authors of the
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