Information card for entry 4074654

Structure parameters

• Formula: C16.5 H13 Cl I2 Pt
• Calculated formula: C16.5 H13 Cl I2 Pt
• SMILES: [Pt]123(I)(I)[CH]4=[CH]1c1ccccc1[CH]2=[CH]3c1ccccc41.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: 13.153 ± 0.0012 Å
• b: 16.0334 ± 0.0014 Å
• c: 32.836 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6924.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No