Information card for entry 7117421

Structure parameters

• Common name: 10
• Chemical name: 10
• Formula: C25 H27 N2 O6 Pt S
• Calculated formula: C25 H27 N2 O6 Pt S
• SMILES: [Pt]1(Sc2ccc(C(=O)OC)cc2)([n]2c(cc(C(=O)OC)cc2)c2[n]1ccc(c2)C(=O)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: 7.2201 ± 0.0005 Å
• b: 13.2276 ± 0.0009 Å
• c: 14.0336 ± 0.001 Å
• α: 70.675 ± 0.005°
• β: 80.551 ± 0.006°
• γ: 84.13 ± 0.006°
• Cell volume: 1245.94 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1208
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No