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Information card for entry 7011900
Preview
Coordinates | 7011900.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H24 Cl2 N2 Pd |
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Calculated formula | C18 H24 Cl2 N2 Pd |
SMILES | [Pd]1([n]2c(c3[n]1ccc(c3)C(C)(C)C)cc(cc2)C(C)(C)C)(Cl)Cl |
Title of publication | Transformation of sulfur dioxide to sulfate at a palladium centre |
Authors of publication | MacLean, Elizabeth J.; Robinson, Richard I.; Teat, Simon J.; Wilson, Claire; Woodward, Simon |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 18 |
Pages of publication | 3518 |
a | 7.3555 ± 0.0009 Å |
b | 19.14 ± 0.002 Å |
c | 12.969 ± 0.002 Å |
α | 90° |
β | 96.666 ± 0.002° |
γ | 90° |
Cell volume | 1813.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0513 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7011900.html
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