Information card for entry 7010137

Structure parameters

• Formula: C12 H19 I N2 O2 Pt S
• Calculated formula: C12 H19 I N2 O2 Pt S
• SMILES: [Pt]12(I)([S](=O)=O)[N](Cc3cccc(c23)C[N]1(C)C)(C)C
• Title of publication: Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †
• Authors of publication: Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.; Lutz, Egbert T. H.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3797
• a: 8.0291 ± 0.0009 Å
• b: 15.1212 ± 0.0013 Å
• c: 25.985 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3154.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No