Information card for entry 7126627

Structure parameters

• Formula: C55 H75 Co O4 P
• Calculated formula: C53 H80 Co O4 P
• SMILES: [Co]1234([P](Oc5c(cc(cc5)C(C)(C)C)C(C)(C)C)(Oc5c(cc(cc5)C(C)(C)C)C(C)(C)C)Oc5ccc(cc5C(C)(C)C)C(C)(C)C)([cH]5[cH]2[cH]4[cH]1[cH]35)C#[O].C(CC)CC
• Title of publication: N-Heterocyclic silylene/germylene ligands in Au(i) catalysis.
• Authors of publication: Parvin, Nasrina; Mishra, Bijoyananda; George, Anjana; Neralkar, Mahesh; Hossain, Jabed; Parameswaran, Pattiyil; Hotha, Srinivas; Khan, Shabana
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 55
• Pages of publication: 7625 - 7628
• a: 12.132 ± 0.003 Å
• b: 13.703 ± 0.005 Å
• c: 17.467 ± 0.006 Å
• α: 112.033 ± 0.007°
• β: 104.987 ± 0.007°
• γ: 92.737 ± 0.008°
• Cell volume: 2566 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2596
• Residual factor for significantly intense reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No