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Information card for entry 7039601
Preview
Coordinates | 7039601.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H39 B F2 N2 P2 Pt |
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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 Å3 |
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 |
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