Information card for entry 7025836

Structure parameters

• Formula: C22 H16 Cl2 N4 Pd2
• Calculated formula: C22 H16 Cl2 N4 Pd2
• SMILES: [Pd]12([Cl][Pd]3([n]4c(c5[n]3cccc5)cccc4)c3c([N]2=Nc2c1cccc2)cccc3)Cl
• Title of publication: Unusual azobenzene/bipyridine palladacycles: structural, dynamical, photophysical and theoretical studies.
• Authors of publication: Juribasić, Marina; Curić, Manda; Molcanov, Kresimir; Matković-Calogović, Dubravka; Babić, Darko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8769 - 8778
• a: 10.2884 ± 0.0005 Å
• b: 10.6609 ± 0.0008 Å
• c: 11.6302 ± 0.0005 Å
• α: 107.874 ± 0.005°
• β: 100.279 ± 0.004°
• γ: 114.137 ± 0.005°
• Cell volume: 1037.87 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No