Information card for entry 4063996

Structure parameters

• Formula: C22 H42 I4 N6 Pd2
• Calculated formula: C22 H42 I4 N6 Pd2
• SMILES: C(CCC)c1c([n+](CCCC)nn1C)[Pd]1(I)[I][Pd](c2c(CCCC)n(C)n[n+]2CCCC)(I)[I]1
• Title of publication: Synthesis and Tunability of Abnormal 1,2,3-Triazolylidene Palladium and Rhodium Complexes
• Authors of publication: Poulain, Aurélie; Canseco-Gonzalez, Daniel; Hynes-Roche, Rachel; Müller-Bunz, Helge; Schuster, Oliver; Stoeckli-Evans, Helen; Neels, Antonia; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1021
• a: 8.284 ± 0.0008 Å
• b: 9.6916 ± 0.0009 Å
• c: 11.8468 ± 0.0011 Å
• α: 71.804 ± 0.011°
• β: 80.644 ± 0.011°
• γ: 69.299 ± 0.011°
• Cell volume: 843.77 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No