Information card for entry 7039600

Structure parameters

• Formula: C21 H36 B F2 N3 O2 P2 Pt
• Calculated formula: C21 H36 B F2 N3 O2 P2 Pt
• SMILES: [Pt](C1=c2[n]([B](F)(F)n3c1ccc3)ccc2)(N(=O)=O)([P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 9.6174 ± 0.0006 Å
• b: 16.8233 ± 0.0008 Å
• c: 16.3882 ± 0.001 Å
• α: 90°
• β: 103.184 ± 0.005°
• γ: 90°
• Cell volume: 2581.7 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No