Information card for entry 7019907

Structure parameters

• Formula: C45 H46 Cl2 F12 Ir2 N4
• Calculated formula: C45 H46 Cl2 F12 Ir2 N4
• Title of publication: An iridium-pyridylpyrrolide complex exhibiting reversible binding of H(2).
• Authors of publication: Searles, Keith; Pink, Maren; Caulton, Kenneth G.; Mindiola, Daniel J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9619 - 9622
• a: 12.6456 ± 0.0018 Å
• b: 11.326 ± 0.0016 Å
• c: 16.451 ± 0.002 Å
• α: 90°
• β: 104.736 ± 0.003°
• γ: 90°
• Cell volume: 2278.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No