Information card for entry 7117418

Structure parameters

• Common name: 4
• Chemical name: 4
• Formula: C21 H26 F6 N3 O2 P Pt
• Calculated formula: C21 H26 F6 N3 O2 P Pt
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)(C)([n]1ccc(cc1)C(=O)OCC)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.94969 ± 0.00019 Å
• b: 14.36 ± 0.0002 Å
• c: 15.746 ± 0.0003 Å
• α: 90°
• β: 96.7748 ± 0.0017°
• γ: 90°
• Cell volume: 2458.57 ± 0.07 ų
• Cell temperature: 289.33 ± 0.1 K
• Ambient diffraction temperature: 289.33 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6773
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No