Information card for entry 4074653

Structure parameters

• Formula: C18 H16 Cl6 Pd
• Calculated formula: C18 H16 Cl6 Pd
• SMILES: [Pd]123(Cl)(Cl)[CH]4=[CH]1c1ccccc1[CH]2=[CH]3c1ccccc41.ClCCl.ClCCl
• Title of publication: Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues
• Authors of publication: Singh, Anupam; Sharp, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 678
• a: 8.6556 ± 0.0005 Å
• b: 11.4257 ± 0.0006 Å
• c: 11.9665 ± 0.0007 Å
• α: 63.961 ± 0.001°
• β: 87.579 ± 0.001°
• γ: 78.227 ± 0.001°
• Cell volume: 1039.44 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No