Information card for entry 4074652

Structure parameters

• Formula: C18 H16 Cl6 Pt
• Calculated formula: C18 H16 Cl6 Pt
• SMILES: [Pt]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: 8.7025 ± 0.0015 Å
• b: 11.418 ± 0.002 Å
• c: 11.949 ± 0.002 Å
• α: 64.326 ± 0.003°
• β: 88.254 ± 0.003°
• γ: 78.493 ± 0.003°
• Cell volume: 1046.5 ± 0.3 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: 0.0404
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No