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Information card for entry 7007699
Preview
Coordinates | 7007699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H64 Cl2 N2 O6 P6 Pd |
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Calculated formula | C58 H64 Cl2 N2 O6 P6 Pd |
SMILES | C([P](c1ccccc1)(c1ccccc1)[Pd]([P](CP(=NP(=O)(OCC)OCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)P(=NP(=O)(OCC)OCC)(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran. |
Authors of publication | Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 47 |
Pages of publication | 5593 - 5604 |
a | 9.5971 ± 0.0002 Å |
b | 9.9089 ± 0.0002 Å |
c | 17.5208 ± 0.0004 Å |
α | 102.332 ± 0.001° |
β | 98.427 ± 0.001° |
γ | 109.956 ± 0.001° |
Cell volume | 1485.66 ± 0.06 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0451 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.1072 |
Weighted residual factors for all reflections included in the refinement | 0.1376 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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