Information card for entry 4516046

Structure parameters

• Formula: C26 H28 F3 N3 O6 Pt S
• Calculated formula: C26 H28 F3 N3 O6 Pt S
• SMILES: [Pt]1([N](=C(Nc2c1cccc2OC)Nc1ccccc1OC)c1ccccc1OC)([S](=O)(C)C)OC(=O)C(F)(F)F
• Title of publication: Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.
• Authors of publication: Mishra, Vishwesh; Thirupathi, Natesan
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 6075 - 6090
• a: 20.8435 ± 0.0006 Å
• b: 7.8008 ± 0.0002 Å
• c: 34.8632 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5668.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No