Information card for entry 7106965

Structure parameters

• Formula: C49 H40 Cl2 N2 P2 Pd2
• 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 ų
• 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