Information card for entry 7010136

Structure parameters

• Formula: C12 H19 Cl N2 O2 Pt S
• Calculated formula: C12 H19 Cl N2 O2 Pt S
• SMILES: [Pt]12(Cl)([S](=O)=O)[N](Cc3c2c(ccc3)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: 16.7796 ± 0.0001 Å
• b: 10.0141 ± 0.0001 Å
• c: 9.094 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.09 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No