Information card for entry 4073817

Structure parameters

• Formula: C23 H32 Ir O P
• Calculated formula: C23 H32 Ir O P
• SMILES: [Ir]1234([P](C5=C(O1)Cc1c5cccc1)(C(C)C)C(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Exploring the Utility of Neutral Rhodium and Iridium κ2-P,Oand κ2-P(S),OComplexes as Catalysts for Alkene Hydrogenation and Hydrosilylation
• Authors of publication: Hesp, Kevin D.; Wechsler, Dominik; Cipot, Judy; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5430
• a: 23.18 ± 0.002 Å
• b: 7.4095 ± 0.0008 Å
• c: 26.823 ± 0.003 Å
• α: 90°
• β: 113.899 ± 0.0016°
• γ: 90°
• Cell volume: 4211.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No