Information card for entry 7117420

Structure parameters

• Common name: 9
• Chemical name: 9
• Formula: C21 H24 N2 O2 Pt S
• Calculated formula: C21 H24 N2 O2 Pt S
• SMILES: [Pt]1(Sc2ccc(cc2)C(=O)OC)([n]2ccccc2c2[n]1cccc2)(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: 14.3479 ± 0.0005 Å
• b: 9.0481 ± 0.0003 Å
• c: 16.1964 ± 0.0011 Å
• α: 90°
• β: 109.574 ± 0.008°
• γ: 90°
• Cell volume: 1981.12 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6485
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No