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Information card for entry 7106965
Preview
Coordinates | 7106965.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H40 Cl2 N2 P2 Pd2 |
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Calculated formula | C49 H40 Cl2 N2 P2 Pd2 |
SMILES | [Pd]1([Cl][Pd]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)[N](=Nc3ccccc23)c2c1cc(cc2)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl |
Title of publication | New insight into solid-state molecular dynamics: mechanochemical synthesis of azobenzene/triphenylphosphine palladacycles |
Authors of publication | Dominik Cincic; Marina Juribasic; Darko Babic; Kresimir Molcanov; Primoz Sket; Janez Plavec; Manda Curic |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 11543 |
a | 13.367 ± 0.0001 Å |
b | 18.4303 ± 0.0002 Å |
c | 18.4227 ± 0.0002 Å |
α | 90° |
β | 109.32 ± 0.001° |
γ | 90° |
Cell volume | 4282.99 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54179 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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