Information card for entry 7037344

Structure parameters

• Chemical name: Ir2
• Formula: C48 H50 F8 Ir N4 O5 P
• Calculated formula: C48 H50 F8 Ir N4 O5 P
• Title of publication: Photostable ester-substituted bis-cyclometalated cationic iridium(iii) complexes for continuous monitoring of oxygen.
• Authors of publication: Liu, Chun; Yu, Hongcui; Xing, Yang; Gao, Zhanming; Jin, Zilin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 734 - 741
• a: 15.1089 ± 0.0004 Å
• b: 11.0424 ± 0.0003 Å
• c: 15.6517 ± 0.0004 Å
• α: 90°
• β: 110.411 ± 0.001°
• γ: 90°
• Cell volume: 2447.36 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No