Information card for entry 4516045

Structure parameters

• Formula: C26 H28 F3 N3 O3 Pt S
• Calculated formula: C26 H28 F3 N3 O3 Pt S
• SMILES: [Pt]1([N](=C(Nc2c1cccc2C)Nc1ccccc1C)c1ccccc1C)([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: 20.2522 ± 0.0007 Å
• b: 8.1634 ± 0.0003 Å
• c: 15.925 ± 0.0005 Å
• α: 90°
• β: 94.862 ± 0.003°
• γ: 90°
• Cell volume: 2623.36 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No