Information card for entry 4105519

Structure parameters

• Common name: eistl06
• Formula: C24 H28 N2 Pt S2
• Calculated formula: C24 H28 N2 Pt S2
• SMILES: [Pt]12([n]3ccc(cc3c3[n]2ccc(c3)C(C)(C)C)C(C)(C)C)Sc2ccccc2S1
• Title of publication: Sensitizing the Sensitizer: The Synthesis and Photophysical Study of Bodipy-Pt(II)(diimine)(dithiolate) Conjugates
• Authors of publication: Theodore Lazarides; Theresa M. McCormick; Kristina C. Wilson; Soohyun Lee; David W. McCamant; Richard Eisenberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 350 - 364
• a: 15.0469 ± 0.0011 Å
• b: 11.4513 ± 0.0008 Å
• c: 13.4908 ± 0.001 Å
• α: 90°
• β: 103.051 ± 0.001°
• γ: 90°
• Cell volume: 2264.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No