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Information card for entry 4080388
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Coordinates | 4080388.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N'-bis(4-tolylsulfonyl)- 4,9-diazadodeca-1,11-diene-6-yne-nickel |
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Formula | C24 H28 N2 Ni O4 S2 |
Calculated formula | C24 H28 N2 Ni O4 S2 |
SMILES | C1N(C[CH]2[Ni]345([CH2]=[CH]13)[CH2]=[CH]4CN(C[CH]=25)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C |
Title of publication | Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands |
Authors of publication | Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 1710 |
a | 11.0828 ± 0.0013 Å |
b | 12.9661 ± 0.0016 Å |
c | 15.6133 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2243.6 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0276 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.072 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4080388.html
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