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Information card for entry 7036190
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Coordinates | 7036190.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4b |
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Formula | C12 H13 Br2 N3 Pd |
Calculated formula | C12 H13 Br2 N3 Pd |
SMILES | [Pd]1(=C2N(CC=C)C=CN2c2[n]1ccc(c2)C)(Br)Br |
Title of publication | Solid-state structure, solution-state behaviour and catalytic activity of electronically divergent C,N-chelating palladium-N-heterocyclic carbene complexes. |
Authors of publication | Chapman, Michael R.; Lake, Benjamin R. M.; Pask, Christopher M.; Nguyen, Bao N.; Willans, Charlotte E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 36 |
Pages of publication | 15938 - 15948 |
a | 7.9713 ± 0.0007 Å |
b | 9.1926 ± 0.0008 Å |
c | 9.815 ± 0.0004 Å |
α | 80.496 ± 0.005° |
β | 79.638 ± 0.006° |
γ | 87.116 ± 0.007° |
Cell volume | 697.62 ± 0.09 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 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 | 0.0435 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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