Information card for entry 7052700

Structure parameters

• Formula: C22 H39 I Ir O2 P2
• Calculated formula: C22 H39 I Ir O2 P2
• SMILES: c12c3cccc1O[P](C(C)(C)C)(C(C)(C)C)[Ir]2([P](C(C)(C)C)(C(C)(C)C)O3)I
• Title of publication: [Cp′FeI]2 as convenient entry into iron-modified pincer complexes: bimetallic η6,κ1-POCOP-pincer iron iridium compounds
• Authors of publication: Walter, Marc D.; White, Peter S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1842
• a: 8.285 ± 0.0002 Å
• b: 12.3186 ± 0.0002 Å
• c: 13.351 ± 0.0002 Å
• α: 100.781 ± 0.001°
• β: 95.673 ± 0.001°
• γ: 104.308 ± 0.001°
• Cell volume: 1281.87 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No