Information card for entry 4074655

Structure parameters

• Formula: C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3
• Calculated formula: C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3
• SMILES: [Pt]1234([O]([Pt]567([O]([Au][P](c8ccccc8)(c8ccccc8)c8ccccc8)[Pt]89%10([O]1[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]9c9ccccc9[CH]8=[CH]%10c8ccccc18)[CH]1=[CH]5c5ccccc5[CH]6=[CH]7c5c1cccc5)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]2c2ccccc2[CH]3=[CH]4c2c1cccc2.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 14.5038 ± 0.0009 Å
• b: 36.472 ± 0.002 Å
• c: 26.1887 ± 0.0016 Å
• α: 90°
• β: 97.832 ± 0.001°
• γ: 90°
• Cell volume: 13724.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2246
• 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: No
• Has Fobs: No