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Information card for entry 4084101
Preview
Coordinates | 4084101.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H34 I2 N6 Ni |
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Calculated formula | C26 H34 I2 N6 Ni |
SMILES | [Ni](c1c(c2ccccc2)[n+](C)nn1CCCC)(c1c(c2ccccc2)[n+](C)nn1CCCC)(I)I |
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 | 8.7847 ± 0.0002 Å |
b | 9.5663 ± 0.0002 Å |
c | 9.618 ± 0.0002 Å |
α | 77.545 ± 0.001° |
β | 89.782 ± 0.002° |
γ | 64.877 ± 0.002° |
Cell volume | 711.05 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0193 |
Residual factor for significantly intense reflections | 0.0173 |
Weighted residual factors for significantly intense reflections | 0.0367 |
Weighted residual factors for all reflections included in the refinement | 0.0378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4084101.html
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