Information card for entry 7117419

Structure parameters

• Common name: 7
• Chemical name: PtMe3I-4,4'-bis-OMe-bpy
• Formula: C15 H21 I N2 O2 Pt
• Calculated formula: C15 H21 I N2 O2 Pt
• SMILES: [Pt]1(I)([n]2c(c3[n]1ccc(c3)OC)cc(cc2)OC)(C)(C)C
• Title of publication: Platinum trimethyl bipyridyl thiolates ‒ new, tunable, red- to near IR emitting luminophores for bioimaging applications
• Authors of publication: Harriet L. Steel; Sarah L. Allinson; Jane Andre; Michael P. Coogan; James A. Platts
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11441
• a: 11.1595 ± 0.001 Å
• b: 11.6084 ± 0.001 Å
• c: 13.5382 ± 0.0014 Å
• α: 90°
• β: 103.102 ± 0.01°
• γ: 90°
• Cell volume: 1708.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7745
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No