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Information card for entry 7053860
Preview
Coordinates | 7053860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H67 Ag4 I4 N9 O4 |
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Calculated formula | C42 H63 Ag4 I4 N9 O4 |
SMILES | [Ag](=C1N(C=CN1C)[C@H]1[C@@H](CCCC1)O)=C1N(C=CN1C)[C@@H]1[C@H](CCCC1)O.[Ag]1(I)[I][Ag]([I]1)I.[Ag](=C1N(C=CN1C)[C@@H]1[C@H](CCCC1)O)=C1N(C=CN1C)[C@H]1[C@@H](CCCC1)O.CC#N |
Title of publication | Synthesis, characterization and catalytic behaviour of a palladium complex bearing a hydroxy-functionalized N-heterocyclic carbene ligand |
Authors of publication | Mariconda, Annaluisa; Grisi, Fabia; Costabile, Chiara; Falcone, Salvatore; Bertolasi, Valerio; Longo, Pasquale |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 2 |
Pages of publication | 762 |
a | 13.152 ± 0.0002 Å |
b | 13.192 ± 0.0002 Å |
c | 33.6132 ± 0.0005 Å |
α | 90.3211 ± 0.0004° |
β | 96.9646 ± 0.0004° |
γ | 100.965 ± 0.0006° |
Cell volume | 5680.76 ± 0.15 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1008 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1459 |
Weighted residual factors for all reflections included in the refinement | 0.1713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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