Information card for entry 7026827

Structure parameters

• Formula: C60 H50.67 F20 Ir N6 O4.33 P3.33
• Calculated formula: C60 H46 F20 Ir N6 O4.33333 P3.33333
• Title of publication: Two-photon luminescence from polar bis-terpyridyl-stilbene derivatives of Ir(III) and Ru(II).
• Authors of publication: Natrajan, Louise S.; Toulmin, Anita; Chew, Alex; Magennis, Steven W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 10837 - 10846
• a: 25.322 ± 0.0018 Å
• b: 25.322 ± 0.0018 Å
• c: 51.329 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28503 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.2362
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2614
• Weighted residual factors for all reflections included in the refinement: 0.3626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No