Information card for entry 4310401

Structure parameters

• Formula: C48 H62 F6 N6 O6 Pt2 S2
• Calculated formula: C48 H62 F6 N6 O6 Pt2 S2
• SMILES: c12c3cccc2C[N]2(CCCCC2)[Pt]1([N]1(C3)CCCCC1)[n]1ccc(cc1)c1cc[n]([Pt]23c4c(cccc4C[N]42CCCCC4)C[N]23CCCCC2)cc1.FC(F)(S(=O)(=O)[O-])F.FC(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: 21.3316 ± 0.0005 Å
• b: 9.6526 ± 0.0002 Å
• c: 26.18 ± 0.0006 Å
• α: 90°
• β: 96.493 ± 0.001°
• γ: 90°
• Cell volume: 5356 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No