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Information card for entry 4081081
Preview
Coordinates | 4081081.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H40 P2 Pd2 |
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Calculated formula | C22 H40 P2 Pd2 |
SMILES | [CH]123C4C=CC1[Pd]125([Pd]432([P](CC)(CC)CC)C3[CH]52C1C=C3)[P](CC)(CC)CC |
Title of publication | Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands |
Authors of publication | Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4223 |
a | 8.28 ± 0.0009 Å |
b | 8.448 ± 0.0009 Å |
c | 9.6821 ± 0.001 Å |
α | 88.232 ± 0.006° |
β | 76.546 ± 0.005° |
γ | 63.36 ± 0.004° |
Cell volume | 586.64 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0215 |
Residual factor for significantly intense reflections | 0.0189 |
Weighted residual factors for significantly intense reflections | 0.0372 |
Weighted residual factors for all reflections included in the refinement | 0.0388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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