Information card for entry 4077942

Structure parameters

• Formula: C15 H26 F3 N3 O4 Pt S
• Calculated formula: C15 H26 F3 N3 O4 Pt S
• SMILES: [Pt]12([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)[NH2]CCO.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Coordination Chemistry in Water of a Free and a Lipase-Embedded Cationic NCN-Pincer Platinum Center with Neutral and Ionic Triarylphosphines
• Authors of publication: Wieczorek, Birgit; Snelders, Dennis J. M.; Dijkstra, Harm P.; Versluis, Kees; Lutz, Martin; Spek, Anthony L.; Egmond, Maarten R.; Klein Gebbink, Robertus J. M.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2810
• a: 9.174 ± 0.0001 Å
• b: 10.3943 ± 0.0001 Å
• c: 11.6317 ± 0.0001 Å
• α: 64.7206 ± 0.0006°
• β: 87.9559 ± 0.0005°
• γ: 83.6656 ± 0.0006°
• Cell volume: 996.745 ± 0.018 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No