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Information card for entry 4348703
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Coordinates | 4348703.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H33 N2 Ni O2 |
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Calculated formula | C29 H33 N2 Ni O2 |
Title of publication | Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study. |
Authors of publication | Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 21 |
Pages of publication | 11006 - 11017 |
a | 26.3054 ± 0.0009 Å |
b | 9.2 ± 0.0003 Å |
c | 21.7175 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5255.8 ± 0.3 Å3 |
Cell temperature | 273 ± 0.1 K |
Ambient diffraction temperature | 273 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0646 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1154 |
Weighted residual factors for all reflections included in the refinement | 0.126 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4348703.html
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