Information card for entry 4082785

Structure parameters

• Formula: C176 H172 Cu2 F36 Ir4 N16 O24 P4 S4
• Calculated formula: C168 H152 Cu2 F36 Ir4 N16 O22 P4 S4
• Title of publication: Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands
• Authors of publication: Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1283
• a: 16.1245 ± 0.0018 Å
• b: 29.342 ± 0.003 Å
• c: 20.812 ± 0.002 Å
• α: 90°
• β: 104.224 ± 0.002°
• γ: 90°
• Cell volume: 9544.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No