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Information card for entry 7025973
Preview
Coordinates | 7025973.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H75 F4 N P2 Pd |
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Calculated formula | C48 H75 F4 N P2 Pd |
SMILES | c1(c(c(F)nc(c1F)F)F)[PdH]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.c1(ccccc1)C |
Title of publication | Isolation and reactivity of palladium hydrido complexes: intermediates in the hydrodefluorination of pentafluoropyridine. |
Authors of publication | Breyer, David; Braun, Thomas; Penner, Anna |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 32 |
Pages of publication | 7513 - 7520 |
a | 13.9664 ± 0.0009 Å |
b | 16.9951 ± 0.0009 Å |
c | 9.6839 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2298.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 31 |
Hermann-Mauguin space group symbol | P m n 21 |
Hall space group symbol | P 2ac -2 |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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