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Information card for entry 7017289
Preview
Coordinates | 7017289.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H60 N6 O6 S2 |
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Calculated formula | C40 H60 N6 O6 S2 |
SMILES | C(=N\c1c(c(S(=O)(=O)[O-])c(cc1C)C)C)(\C)/C(=N/c1c(c(c(cc1C)C)S(=O)(=O)[O-])C)C.c1(C)n(C)cc[n+]1CCCC.c1(C)n(cc[n+]1C)CCCC |
Title of publication | Sulfonate-tagged 1,4-diazabutadiene (DAD(S)) ligands and their noble-metal complexes - synthesis, characterization and immobilization in ionic liquids. |
Authors of publication | Oelkers, Benjamin; Sundermeyer, Jörg |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 47 |
Pages of publication | 12727 - 12741 |
a | 7.4331 ± 0.0003 Å |
b | 8.3007 ± 0.0004 Å |
c | 17.9835 ± 0.0009 Å |
α | 86.492 ± 0.004° |
β | 84.986 ± 0.004° |
γ | 65.819 ± 0.003° |
Cell volume | 1007.95 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0616 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7017289.html
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