Information card for entry 1550542

Structure parameters

• Chemical name: [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)
• Formula: C10 H12 N2 Pt S2
• Calculated formula: C10 H12 N2 Pt S2
• SMILES: [Pt]123(SC#N)(SC#N)[CH]4CC[CH]1=[CH]3CC[CH]2=4
• Title of publication: [(1,2,5,6-η)-Cycloocta-1,5-diene]bis(thiocyanato-κ<i>S</i>)platinum(II)
• Authors of publication: Ha, Kwang
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: x190162
• a: 16.8696 ± 0.0012 Å
• b: 7.5226 ± 0.0006 Å
• c: 9.054 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1148.98 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0445
• 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: Yes