Information card for entry 4128679

Structure parameters

• Formula: C29 H30 Cl2 Ir N O P2
• Calculated formula: C29 H30 Cl2 Ir N O P2
• SMILES: [IrH]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[NH]2CC[P]1(c1ccccc1)c1ccccc1)C#[O].[Cl-]
• Title of publication: Quantifying the Donor Strength of Ligand-Stabilized Main Group Fragments.
• Authors of publication: Maser, Leon; Schneider, Christian; Vondung, Lisa; Alig, Lukas; Langer, Robert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 18
• Pages of publication: 7596 - 7604
• a: 10.6032 ± 0.0017 Å
• b: 11.7641 ± 0.0018 Å
• c: 12.732 ± 0.003 Å
• α: 97.86 ± 0.007°
• β: 109.324 ± 0.007°
• γ: 107.162 ± 0.005°
• Cell volume: 1382.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No