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Information card for entry 7005370
Preview
Coordinates | 7005370.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H24 I6 N12 Ni |
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Calculated formula | C36 H24 I6 N12 Ni |
SMILES | [Ni]1234([n]5c(nc(nc5c5[n]2cccc5)c2ncccc2)c2[n]1cccc2)[n]1c(nc(nc1c1[n]4cccc1)c1ncccc1)c1[n]3cccc1.I[I-]I.I[I-]I |
Title of publication | Investigation into the reactivity of the coordinatively unsaturated phosphonodithioato [Ni(MeOpdt)2] towards 2,4,6-tris(2-pyridyl)-1,3,5-triazine: goals and achievements. |
Authors of publication | Aragoni, M. Carla; Arca, Massimiliano; Devillanova, Francesco A.; Hursthouse, Michael B.; Huth, Susanne L.; Isaia, Francesco; Lippolis, Vito; Mancini, Annalisa; Soddu, Serena; Verani, Gaetano |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 21 |
Pages of publication | 2127 - 2134 |
a | 10.7548 ± 0.0013 Å |
b | 15.3966 ± 0.0019 Å |
c | 25.22 ± 0.002 Å |
α | 90° |
β | 91.758 ± 0.009° |
γ | 90° |
Cell volume | 4174.1 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.