Information card for entry 4063998

Structure parameters

• Formula: C28 H38 Cl4 I4 N6 Pd2
• Calculated formula: C28 H38 Cl4 I4 N6 Pd2
• SMILES: c1(c(c2ccccc2)[n+](nn1CCCC)C)[Pd]1(I)[I][Pd](c2c(c3ccccc3)[n+](C)nn2CCCC)(I)[I]1.C(Cl)Cl.C(Cl)Cl
• 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: 9.9204 ± 0.0014 Å
• b: 10.5994 ± 0.0013 Å
• c: 10.5337 ± 0.0014 Å
• α: 91.475 ± 0.011°
• β: 94.257 ± 0.011°
• γ: 112.019 ± 0.01°
• Cell volume: 1022.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1133
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No