Information card for entry 4076812

Structure parameters

• Formula: C31 H52 Cl Ir P2
• Calculated formula: C31 H52 Cl Ir P2
• SMILES: [Ir](=C(c1ccccc1)c1ccccc1)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)Cl
• Title of publication: Carbene Iridium(I) and Iridium(III) Complexes Containing the Metal Center in Different Stereochemical Environments†
• Authors of publication: Ortmann, Dagmara A.; Weberndörfer, Birgit; Ilg, Kerstin; Laubender, Matthias; Werner, Helmut
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2369
• a: 10.353 ± 0.005 Å
• b: 12.153 ± 0.004 Å
• c: 13.909 ± 0.005 Å
• α: 94.04 ± 0.02°
• β: 93.62 ± 0.02°
• γ: 114.165 ± 0.019°
• Cell volume: 1584.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No