Information card for entry 7011807

Structure parameters

• Formula: C15 H25 I N2 O3 Pt S
• Calculated formula: C15 H25 I N2 O3 Pt S
• SMILES: [Pt]12(I)[N](Cc3c2c(cc(c3)C(=O)O)C[N]1(C)C)(C)C.S(=O)(C)C
• Title of publication: Synthetic strategies towards new para-functionalised NCN-pincer palladium(ii) and platinum(ii) complexes
• Authors of publication: Slagt, Martijn Q.; Klein Gebbink, Robertus J. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 13
• Pages of publication: 2591
• a: 5.9677 ± 0.0001 Å
• b: 24.5133 ± 0.0014 Å
• c: 14.0288 ± 0.0002 Å
• α: 90°
• β: 108.967 ± 0.0007°
• γ: 90°
• Cell volume: 1940.82 ± 0.12 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No