Information card for entry 7007780

Structure parameters

• Formula: C18 H29 Cl5 N2 O2 Pt2 S2
• Calculated formula: C18 H29 Cl5 N2 O2 Pt2 S2
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)[n]1ccc(cc1)c1cc[n+](cc1)CCCC.[Pt](Cl)(Cl)(Cl)[S](=O)(C)C
• Title of publication: Irreversible and reversible formation of a [2]rotaxane containing platinum(II) complex with an N-alkyl bipyridinium ligand as the axis component.
• Authors of publication: Suzaki, Yuji; Taira, Toshiaki; Osakada, Kohtaro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 45
• Pages of publication: 5345 - 5351
• a: 13.771 ± 0.003 Å
• b: 21.187 ± 0.012 Å
• c: 9.604 ± 0.002 Å
• α: 90°
• β: 96.8 ± 0.02°
• γ: 90°
• Cell volume: 2782.4 ± 1.8 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No