Information card for entry 4077966

Structure parameters

• Formula: C22 H30 Cl2 N2 Pd
• Calculated formula: C22 H30 Cl2 N2 Pd
• SMILES: C1CCCCc2cccc3CCCCCCc4cccc([n]4[Pd](Cl)(Cl)[n]23)C1
• Title of publication: Gyroscope-Like Platinum and Palladium Complexes with Trans-Spanning Bis(pyridine) Ligands
• Authors of publication: Zeits, Paul D.; Rachiero, Giovanni Pietro; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2854
• a: 8.3927 ± 0.0002 Å
• b: 11.1631 ± 0.0003 Å
• c: 10.8626 ± 0.0002 Å
• α: 90°
• β: 91.922 ± 0.002°
• γ: 90°
• Cell volume: 1017.13 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No