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Information card for entry 4101486
Preview
Coordinates | 4101486.cif |
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Original paper (by DOI) | HTML |
Formula | C45 H37 Cl P2 Pd2 |
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Calculated formula | C45 H37 Cl P2 Pd2 |
SMILES | [Pd]123([Pd]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)([Cl]1)[CH]13=[CH]2c2c(C41)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | New palladium(II)-(eta(3/5)- or eta1-indenyl) and dipalladium(I)-(mu,eta3-indenyl) complexes. |
Authors of publication | Sui-Seng, Christine; Enright, Gary D; Zargarian, Davit |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Journal issue | 19 |
Pages of publication | 6508 - 6519 |
a | 13.8689 ± 0.0003 Å |
b | 14.2117 ± 0.0003 Å |
c | 19.1372 ± 0.0006 Å |
α | 90° |
β | 104.345 ± 0.002° |
γ | 90° |
Cell volume | 3654.35 ± 0.16 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0541 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1369 |
Weighted residual factors for all reflections included in the refinement | 0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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