Information card for entry 4068271

Structure parameters

• Formula: C16 H38 Cl2 Ir N P2
• Calculated formula: C16 H38 Cl2 Ir N P2
• SMILES: [IrH]12(Cl)(Cl)[P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Iridium Olefin Complexes Bearing Dialkylamino/amido PNP Pincer Ligands: Synthesis, Reactivity, and Solution Dynamics†
• Authors of publication: Friedrich, Anja; Ghosh, Rajshekhar; Kolb, Roman; Herdtweck, Eberhardt; Schneider, Sven
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 708
• a: 11.8102 ± 0.0004 Å
• b: 14.2081 ± 0.0005 Å
• c: 14.5239 ± 0.0004 Å
• α: 101.423 ± 0.003°
• β: 101.801 ± 0.003°
• γ: 106.574 ± 0.003°
• Cell volume: 2199.45 ± 0.14 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0445
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No