Information card for entry 7015220

Structure parameters

• Formula: C40 H44 Cl2 Ir2 N2
• Calculated formula: C40 H44 Cl2 Ir2 N2
• Title of publication: Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
• Authors of publication: Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4982 - 4993
• a: 22.261 ± 0.012 Å
• b: 8.705 ± 0.005 Å
• c: 22.589 ± 0.012 Å
• α: 90°
• β: 90.839 ± 0.007°
• γ: 90°
• Cell volume: 4377 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No