Information card for entry 7020639

Structure parameters

• Formula: C202 H219 F18 Ir6 N24 O27 S6
• Calculated formula: C183 H163 F9 Ir6 N24 O12 S3
• Title of publication: Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.
• Authors of publication: Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 82 - 88
• a: 22.1957 ± 0.0019 Å
• b: 33.541 ± 0.003 Å
• c: 29.504 ± 0.003 Å
• α: 90°
• β: 110.164 ± 0.002°
• γ: 90°
• Cell volume: 20619 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1456
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No