Information card for entry 4082783

Structure parameters

• Formula: C164 H132 F24 Ir4 N16 Ni2 O32 S8
• Calculated formula: C162 H132 F18 Ir4 N16 Ni2 O26 S6
• 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: 26.365 ± 0.005 Å
• b: 15.193 ± 0.003 Å
• c: 23.581 ± 0.005 Å
• α: 90°
• β: 109.085 ± 0.003°
• γ: 90°
• Cell volume: 8927 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No