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Information card for entry 7101796
Preview
Coordinates | 7101796.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H114 Cl2 N4 O2 Pd2 |
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Calculated formula | C72 H114 Cl2 N4 O2 Pd2 |
SMILES | O(CC)CC.C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)=[Pd]1(CC(C)(C)C)[Cl][Pd]([Cl]1)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)CC(C)(C)C.O(CC)CC |
Title of publication | Synthesis and reactivity of alkyl-palladium N-heterocyclic carbene complexes. |
Authors of publication | Esposito, Oriana; Lewis, Alexandra K de K; Hitchcock, Peter B; Caddick, Stephen; Cloke, F Geoffrey N |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 11 |
Pages of publication | 1157 - 1159 |
a | 22.4708 ± 0.0006 Å |
b | 17.984 ± 0.0007 Å |
c | 19.059 ± 0.0005 Å |
α | 90° |
β | 106.288 ± 0.002° |
γ | 90° |
Cell volume | 7392.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1037 |
Weighted residual factors for all reflections included in the refinement | 0.1241 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.774 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101796.html
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