Information card for entry 7014950

Structure parameters

• Formula: C45 H39 F18 Ir N9 O P3
• Calculated formula: C45 H39 F18 Ir N9 O P3
• Title of publication: Photophysical properties of a new series of water soluble iridium bisterpyridine complexes functionalised at the 4' position.
• Authors of publication: Goldstein, Daniel C.; Cheng, Yuen Yap; Schmidt, Timothy W.; Bhadbhade, Mohan; Thordarson, Pall
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 2053 - 2061
• a: 15.579 ± 0.009 Å
• b: 16.28 ± 0.007 Å
• c: 21.289 ± 0.012 Å
• α: 90°
• β: 104.5 ± 0.03°
• γ: 90°
• Cell volume: 5227 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No