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Information card for entry 7015781
Preview
Coordinates | 7015781.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H40 Br2 N4 Ni |
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Calculated formula | C30 H40 Br2 N4 Ni |
SMILES | C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ni](Br)(=C1N(C=CN1C(C)C)C(C)C)Br |
Title of publication | Controlled synthesis of nickel(II) dihalides bearing two different or identical N-heterocyclic carbene ligands and the influence of carbene ligands on their structures and catalysis. |
Authors of publication | Liu, Zhi-hong; Xu, Yan-Chao; Xie, Ling-Zhi; Sun, Hong-Mei; Shen, Qi; Zhang, Yong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 17 |
Pages of publication | 4697 - 4706 |
a | 11.533 ± 0.004 Å |
b | 11.533 ± 0.004 Å |
c | 22.823 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3035.7 ± 1.8 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0944 |
Residual factor for significantly intense reflections | 0.0868 |
Weighted residual factors for significantly intense reflections | 0.2533 |
Weighted residual factors for all reflections included in the refinement | 0.2654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.124 |
Diffraction radiation wavelength | 0.71075 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/7015781.html
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