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Information card for entry 7039252
Preview
Coordinates | 7039252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H67 F12 Ir2 N8 O13.5 P2 S4 |
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Calculated formula | C68 H67 F12 Ir2 N8 O13.5 P2 S4 |
Title of publication | Regioisomerism in cationic sulfonyl-substituted [Ir(C^N)2(N^N)](+) complexes: its influence on photophysical properties and LEC performance. |
Authors of publication | Ertl, Cathrin D.; Gil-Escrig, Lidón; Cerdá, Jesús; Pertegás, Antonio; Bolink, Henk J.; Junquera-Hernández, José M; Prescimone, Alessandro; Neuburger, Markus; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 29 |
Pages of publication | 11668 - 11681 |
a | 20.6753 ± 0.0013 Å |
b | 20.9141 ± 0.0013 Å |
c | 18.3265 ± 0.0012 Å |
α | 90° |
β | 104.473 ± 0.002° |
γ | 90° |
Cell volume | 7673 ± 0.8 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0458 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for all reflections | 0.1143 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9557 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039252.html
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