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Information card for entry 4069763
Preview
Coordinates | 4069763.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H27 Br2 N3 Ni |
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Calculated formula | C18 H27 Br2 N3 Ni |
SMILES | [Ni]1(Br)(Br)[NH](C(C)(C)C)CCN2C=1N(C=C2)c1c(cc(cc1C)C)C |
Title of publication | Kinetic and Thermodynamic Study ofSyn−AntiIsomerization of Nickel Complexes Bearing Amino-Linked N-Heterocyclic Carbene Ligands: The Effect of the Pendant Arm of the NHC |
Authors of publication | Huang, Yi-Ping; Tsai, Chung-Chih; Shih, Wei-Chih; Chang, Yu-Chang; Lin, Shen-Ta; Yap, Glenn P. A.; Chao, Ito; Ong, Tiow-Gan |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 15 |
Pages of publication | 4316 |
a | 14.469 ± 0.003 Å |
b | 10.019 ± 0.002 Å |
c | 14.071 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2039.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0587 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4069763.html
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