Information card for entry 4310399

Structure parameters

• Formula: C24 H32 F3 N3 O3 Pt S
• Calculated formula: C23 H32 N3 Pt
• SMILES: [Pt]12([N]3(Cc4c2c(ccc4)C[N]21CCCCC2)CCCCC3)[n]1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 9.7518 ± 0.0006 Å
• b: 12.0132 ± 0.0008 Å
• c: 12.6718 ± 0.0009 Å
• α: 114.19 ± 0.002°
• β: 100.745 ± 0.003°
• γ: 103.545 ± 0.002°
• Cell volume: 1247.95 ± 0.15 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: 0.0289
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No