Information card for entry 4310400

Structure parameters

• Formula: C30 H36 F3 N3 O3 Pt S
• Calculated formula: C30 H36 F3 N3 O3 Pt S
• SMILES: [Pt]12([N]3(Cc4c2c(ccc4)C[N]21CCCCC2)CCCCC3)[n]1ccc(cc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand
• Authors of publication: Hershel Jude; Jeanette A. Krause Bauer; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 725 - 733
• a: 15.55 ± 0.002 Å
• b: 9.7386 ± 0.0011 Å
• c: 18.965 ± 0.003 Å
• α: 90°
• β: 92.559 ± 0.007°
• γ: 90°
• Cell volume: 2869.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No