Information card for entry 7039599

Structure parameters

• Formula: C21 H36 B F2 I N2 P2 Pt
• Calculated formula: C21 H36 B F2 I N2 P2 Pt
• SMILES: C1([Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)=c2ccc[n]2[B](F)(F)n2c1ccc2
• 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: 13.4838 ± 0.0007 Å
• b: 14.5951 ± 0.001 Å
• c: 13.7759 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2711.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No