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Information card for entry 4063999
Preview
Coordinates | 4063999.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H26 I2 N6 Pd |
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Calculated formula | C22 H26 I2 N6 Pd |
SMILES | c1cccc(c2c(n(n[n+]2C)CC)[Pd](I)(c2c(c3ccccc3)[n+](C)nn2CC)I)c1 |
Title of publication | Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes |
Authors of publication | Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1021 |
a | 9.6971 ± 0.0007 Å |
b | 13.6009 ± 0.0012 Å |
c | 9.4707 ± 0.0008 Å |
α | 90° |
β | 105.49 ± 0.006° |
γ | 90° |
Cell volume | 1203.71 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0293 |
Residual factor for significantly intense reflections | 0.0256 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0648 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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