Information card for entry 7013348

Structure parameters

• Formula: C51 H47 F12 N O2 P4 Pt S3
• Calculated formula: C51 H47 F12 N O2 P4 Pt S3
• SMILES: [Pt]123([S]4CC[S]1CC[S]2CC4)[P](c1ccc2ccccc2c1c1c([P]3(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=N(=O)C
• Title of publication: Chiral effects on a fluxional ligand: chiral diphosphine platinum(ii) complexes with thiacrowns
• Authors of publication: Grant, Gregory J.; Pool, Jaime A.; VanDerveer, Donald G.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3981
• a: 11.2412 ± 0.0002 Å
• b: 14.4595 ± 0.0002 Å
• c: 31.6436 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5143.42 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No