Information card for entry 7217900

Structure parameters

• Formula: C44 H36 F6 Ir N4 P
• Calculated formula: C44 H36 F6 Ir N4 P
• Title of publication: Energetic requirements of iridium(iii) complex based photosensitisers in photocatalytic hydrogen generation.
• Authors of publication: Fan, Shengqiang; Zong, Xu; Shaw, Paul E.; Wang, Xin; Geng, Yan; Smith, Arthur R. G.; Burn, Paul L.; Wang, Lianzhou; Lo, Shih-Chun
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 21577 - 21585
• a: 14.1492 ± 0.0011 Å
• b: 14.633 ± 0.003 Å
• c: 18.3617 ± 0.0015 Å
• α: 90°
• β: 92.289 ± 0.007°
• γ: 90°
• Cell volume: 3798.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No