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Information card for entry 4089680
Preview
Coordinates | 4089680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H36 B2 Br2 F8 N4 Pd2 |
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Calculated formula | C32 H36 B2 Br2 F8 N4 Pd2 |
SMILES | [CH]12=[CH]3[Pd]42(C1C(=CC=C3)[n]1cc(cc(C)c1)C)[Br][Pd]12([CH]3=[CH]1C=CC=C(C23)[n]1cc(cc(c1)C)C)[Br]4.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-].N#CC |
Title of publication | Structure and Dynamics of Imidazolium- and Pyridinium-Substituted η3-Cycloheptatrienide-Pd Complexes |
Authors of publication | Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 22 |
Pages of publication | 6398 |
a | 27.2805 ± 0.0006 Å |
b | 7.3988 ± 0.0002 Å |
c | 18.4856 ± 0.0004 Å |
α | 90° |
β | 103.034 ± 0.001° |
γ | 90° |
Cell volume | 3635.06 ± 0.15 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
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 | 0.0194 |
Residual factor for significantly intense reflections | 0.0164 |
Weighted residual factors for significantly intense reflections | 0.0383 |
Weighted residual factors for all reflections included in the refinement | 0.0394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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