Information card for entry 2214059

Structure parameters

• Chemical name: [(1,2,5,6-η^4^)-1,3,5,7-Cyclooctatetraene]iodo(methyl)platinum(II)
• Formula: C9 H11 I Pt
• Calculated formula: C9 H11 I Pt
• SMILES: [Pt]123(I)([CH]4=[CH]1C=C[CH]2=[CH]3C=C4)C
• Title of publication: [(1,2,5,6-η)-1,3,5,7-Cyclooctatetraene]iodido(methyl)platinum(II)
• Authors of publication: Song, Ah-Ran; Hwang, In-Chul; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1879 - m1879
• a: 8.447 ± 0.002 Å
• b: 10.181 ± 0.002 Å
• c: 13.504 ± 0.002 Å
• α: 90°
• β: 120.901 ± 0.003°
• γ: 90°
• Cell volume: 996.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes