Information card for entry 7039601

Structure parameters

• Formula: C22 H39 B F2 N2 P2 Pt
• Calculated formula: C22 H39 B F2 N2 P2 Pt
• SMILES: [Pt](C1=c2[n]([B](F)(F)n3c1ccc3)ccc2)([P](CC)(CC)CC)([P](CC)(CC)CC)C
• Title of publication: Complexes trans-Pt(BODIPY)X(PEt3)2: excitation energy-dependent fluorescence and phosphorescence emissions, oxygen sensing and photocatalysis.
• Authors of publication: Irmler, Peter; Winter, Rainer F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10420 - 10434
• a: 11.098 ± 0.0004 Å
• b: 13.1409 ± 0.0006 Å
• c: 18.4244 ± 0.0006 Å
• α: 90°
• β: 106.287 ± 0.003°
• γ: 90°
• Cell volume: 2579.14 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No