Information card for entry 4513848

Structure parameters

• Formula: C23 H33 Co N3 O4
• Calculated formula: C23 H33 Co N3 O4
• SMILES: C1CCC2c3cccc4C5CCC[N]=5[Co]5(OC(C(C)(C)C)=[O]5)([N]1=2)([n]34)OC(=O)C(C)(C)C
• Title of publication: Bench-Stable, Substrate-Activated Cobalt Carboxylate Pre-Catalysts for Alkene Hydrosilylation with Tertiary Silanes
• Authors of publication: Schuster, Christopher H.; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2632
• a: 8.9984 ± 0.0004 Å
• b: 21.6663 ± 0.0011 Å
• c: 12.2395 ± 0.0005 Å
• α: 90°
• β: 90.0826 ± 0.0017°
• γ: 90°
• Cell volume: 2386.24 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No