Information card for entry 7053635

Structure parameters

• Formula: C60 H76 Cl2 N4 O4 Pd
• Calculated formula: C60 H76 Cl2 N4 O4 Pd
• SMILES: c1(ccc(cc1)OCCCCCC)[N]([Pd]([N](c1ccc(cc1)OCCCCCC)=Nc1c(cc(cc1CC)c1ccc(OCC)cc1)CC)(Cl)Cl)=Nc1c(cc(cc1CC)c1ccc(OCC)cc1)CC
• Title of publication: A reversibly photoswitchable mononuclear palladium(ii) complex with ortho-diethylated azobenzene ligands
• Authors of publication: Han, Mina; Hirade, Tomohiro; Hara, Masahiko
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2887
• a: 9.6229 ± 0.0013 Å
• b: 11.6668 ± 0.0015 Å
• c: 14.386 ± 0.002 Å
• α: 69.834 ± 0.005°
• β: 83.695 ± 0.007°
• γ: 67.156 ± 0.006°
• Cell volume: 1396.6 ± 0.3 ų
• Cell temperature: 163.1 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No