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Information card for entry 4338808
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Coordinates | 4338808.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H59 N3 Ni S |
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Calculated formula | C37 H59 N3 Ni S |
SMILES | [Ni]12(SCC[NH2]1)[N](=C(C2C(=N\c1c(C(C)C)cccc1C(C)C)/C(C)(C)C)C(C)(C)C)c1c(C(C)C)cccc1C(C)C |
Title of publication | Three-Coordinate Nickel(II) and Nickel(I) Thiolate Complexes Based on the β-Diketiminate Ligand System. |
Authors of publication | Horn, Bettina; Limberg, Christian; Herwig, Christian; Braun, Beatrice |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 13 |
Pages of publication | 6867 - 6874 |
a | 10.4799 ± 0.0004 Å |
b | 14.9728 ± 0.0005 Å |
c | 11.5528 ± 0.0004 Å |
α | 90° |
β | 107.423 ± 0.003° |
γ | 90° |
Cell volume | 1729.62 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0294 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0507 |
Weighted residual factors for all reflections included in the refinement | 0.0515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4338808.html
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