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Information card for entry 4084102
Preview
Coordinates | 4084102.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H17 N3 Ni |
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Calculated formula | C20 H17 N3 Ni |
SMILES | [Ni]12345(c6c(c7ccccc7)[n+](nn6c6c1cccc6)C)[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity |
Authors of publication | Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 20 |
Pages of publication | 5834 |
a | 11.0802 ± 0.0002 Å |
b | 14.6271 ± 0.0002 Å |
c | 20.3387 ± 0.0004 Å |
α | 90° |
β | 104.473 ± 0.002° |
γ | 90° |
Cell volume | 3191.71 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0314 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4084102.html
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