Information card for entry 7106962

Structure parameters

• Formula: C48 H39 Cl2 N3 P2 Pd2
• Calculated formula: C48 H39 Cl2 N3 P2 Pd2
• SMILES: [Cl]1[Pd]2(c3cc(N)ccc3N=[N]2c2c(cccc2)[Pd]1(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 19.6854 ± 0.0004 Å
• b: 10.8731 ± 0.0003 Å
• c: 42.8266 ± 0.0013 Å
• α: 90°
• β: 96.989 ± 0.002°
• γ: 90°
• Cell volume: 9098.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.2611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No