Information card for entry 4314869

Structure parameters

• Formula: C22 H16 Cl2 N2 Pd2
• Calculated formula: C22 H16 Cl2 N2 Pd2
• SMILES: [Pd]12(c3c(c4[n]2cccc4)cccc3)[Cl][Pd]2(c3c(c4[n]2cccc4)cccc3)[Cl]1
• Title of publication: Electronic Structures of PdII Dimers
• Authors of publication: John E. Bercaw; Alec C. Durrell; Harry B. Gray; Jennifer C. Green; Nilay Hazari; Jay A. Labinger; Jay R. Winkler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1801 - 1810
• a: 9.3288 ± 0.0004 Å
• b: 19.4207 ± 0.0008 Å
• c: 10.8265 ± 0.0005 Å
• α: 90°
• β: 104.868 ± 0.002°
• γ: 90°
• Cell volume: 1895.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 2.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No