Information card for entry 7014951

Structure parameters

• Formula: C47 H39 F18 Ir N9 O P3
• Calculated formula: C47 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: 14.7636 ± 0.0004 Å
• b: 16.2915 ± 0.0005 Å
• c: 21.4687 ± 0.0005 Å
• α: 90°
• β: 105.491 ± 0.001°
• γ: 90°
• Cell volume: 4976.1 ± 0.2 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: 0.0279
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No