Information card for entry 4344434

Structure parameters

• Formula: C21 H36 B Br F2 N2 P2 Pt
• Calculated formula: C21 H36 B Br F2 N2 P2 Pt
• SMILES: C1([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)Br)=c2ccc[n]2[B](n2c1ccc2)(F)F
• Title of publication: Ligand Based Dual Fluorescence and Phosphorescence Emission from BODIPY Platinum Complexes and Its Application to Ratiometric Singlet Oxygen Detection.
• Authors of publication: Geist, Fabian; Jackel, Andrej; Winter, Rainer F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10946 - 10957
• a: 17.3407 ± 0.0006 Å
• b: 17.1055 ± 0.0006 Å
• c: 17.4603 ± 0.0006 Å
• α: 90°
• β: 94.532 ± 0.003°
• γ: 90°
• Cell volume: 5162.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No