Information card for entry 7025222

Structure parameters

• Formula: C46 H44 Ir N P2
• Calculated formula: C46 H44 Ir N P2
• SMILES: [Ir]12345([P](c6c(N2c2c([P]1(c1ccccc1)c1ccccc1)cc(cc2)C)ccc(c6)C)(c1ccccc1)c1ccccc1)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• Title of publication: Synthesis and reactivity of rhodium and iridium alkene, alkyl and silyl complexes supported by a phenyl-substituted PNP pincer ligand.
• Authors of publication: Calimano, Elisa; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 39
• Pages of publication: 9250 - 9263
• a: 10.23 ± 0.002 Å
• b: 10.663 ± 0.002 Å
• c: 17.091 ± 0.003 Å
• α: 88.76 ± 0.03°
• β: 89.08 ± 0.03°
• γ: 73.16 ± 0.03°
• Cell volume: 1783.9 ± 0.6 ų
• Cell temperature: 144 ± 2 K
• Ambient diffraction temperature: 144 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No