Information card for entry 8102155

Structure parameters

• Chemical name: dibromo[(1,2,5,6-η)-1,3,5,7-cyclooctatetraene]platinum(II)
• Formula: C8 H8 Br2 Pt
• Calculated formula: C8 H8 Br2 Pt
• SMILES: [Pt]123(Br)(Br)[CH]4=[CH]1C=C[CH]2=[CH]3C=C4
• Title of publication: Crystal structure of dibromo((1,2,5,6-h)-1,3,5,7-cyclooctatetraene) platinum(II), PtBr~2~(C~8~H~8~)
• Authors of publication: Song, Ah-Ran; Hwang, In-Chul; Ha, Kwang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 291 - 292
• a: 8.118 ± 0.003 Å
• b: 10.085 ± 0.003 Å
• c: 13.106 ± 0.004 Å
• α: 90°
• β: 118.5 ± 0.005°
• γ: 90°
• Cell volume: 943 ± 0.5 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: 0.032
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No