Information card for entry 1561516

Structure parameters

• Formula: C66 H78 N4 O4 Pt2
• Calculated formula: C66 H78 N4 O4 Pt2
• SMILES: [Pt]123Oc4cccc5C(c6c([n]1c(cc6)c1c3c(cc(c1)C(C)(C)C)c1cc3[n]([Pt]67Oc8cccc9C(c%10c([n]6c(cc%10)c6cc(cc3c76)C(C)(C)C)c89)(CCCC)CCCC)c[n]21)c45)(CCCC)CCCC.OC.OC
• Title of publication: Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence.
• Authors of publication: Pander, Piotr; Daniels, Ruth; Zaytsev, Andrey V.; Horn, Ashleigh; Sil, Amit; Penfold, Thomas J.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Dias, Fernando B.
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 6172 - 6180
• a: 13.3643 ± 0.0014 Å
• b: 21.517 ± 0.002 Å
• c: 20.834 ± 0.002 Å
• α: 90°
• β: 94.905 ± 0.003°
• γ: 90°
• Cell volume: 5969.1 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.1811
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No