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Information card for entry 4080466
Preview
Coordinates | 4080466.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H18 N6 O2 Pd |
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Calculated formula | C18 H18 N6 O2 Pd |
SMILES | [Pd]123N(C(=O)CN4C=3N(C)C=C4)c3c(N1C(=O)Cn1c2c[n+](C)c1)cccc3 |
Title of publication | Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes |
Authors of publication | Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 1913 |
a | 11.029 ± 0.002 Å |
b | 9.3359 ± 0.0019 Å |
c | 16.855 ± 0.003 Å |
α | 90° |
β | 100.81 ± 0.03° |
γ | 90° |
Cell volume | 1704.7 ± 0.6 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0287 |
Weighted residual factors for significantly intense reflections | 0.0672 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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