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Information card for entry 4085715
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4085715.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H31 Cl N P Pd |
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Calculated formula | C18 H31 Cl N P Pd |
SMILES | c12c3cccc1C[N](C)(C)[Pd]2([P](C3)(C(C)(C)C)C(C)(C)C)Cl |
Title of publication | Aromatic PCN Palladium Pincer Complexes. Probing the Hemilability through Reactions with Nucleophiles |
Authors of publication | Fleckhaus, André; Mousa, Abdelrazek H.; Lawal, Nasir Sallau; Kazemifar, Nitsa Kiriakidou; Wendt, Ola F. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 9 |
Pages of publication | 1627 |
a | 14.067 ± 0.0005 Å |
b | 11.8937 ± 0.0004 Å |
c | 11.8433 ± 0.0004 Å |
α | 90° |
β | 95.715 ± 0.003° |
γ | 90° |
Cell volume | 1971.64 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.033 |
Residual factor for significantly intense reflections | 0.025 |
Weighted residual factors for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections included in the refinement | 0.0597 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/4085715.html
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structural data.