Information card for entry 4105517

Structure parameters

• Common name: eistl01
• Formula: C28 H31 B F2 N4
• Calculated formula: C28 H31 B F2 N4
• SMILES: F[B]1(F)[n]2c(=C(c3cc(ncc3)c3nccc(c3)C)c3n1c(c(c3C)CC)C)c(c(c2C)CC)C
• 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: 10.8106 ± 0.0008 Å
• b: 10.8904 ± 0.0008 Å
• c: 11.0467 ± 0.0008 Å
• α: 85.761 ± 0.001°
• β: 76.874 ± 0.001°
• γ: 89.456 ± 0.001°
• Cell volume: 1263.07 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No