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Information card for entry 7101693
Preview
Coordinates | 7101693.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 Cl2 F2 N2 Pd |
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Calculated formula | C20 H24 Cl2 F2 N2 Pd |
SMILES | [Pd]1(Cl)(Cl)[NH]([C@@H]2CCCC[C@H]2[NH]1Cc1ccc(F)cc1)Cc1ccc(F)cc1 |
Title of publication | Highly selective R,S-coordination of non racemic (1R,2R)-(1,2-dialkyl)-1,2-diamine cyclohexane derivatives to palladium dichloride. |
Authors of publication | Rafii, Esfandiar; Dassonneville, Benjamin; Heumann, Andreas |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 6 |
Pages of publication | 583 - 585 |
a | 14.214 ± 0.005 Å |
b | 9.039 ± 0.001 Å |
c | 16.311 ± 0.003 Å |
α | 90° |
β | 100.552 ± 0.008° |
γ | 90° |
Cell volume | 2060.2 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
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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