Information card for entry 7027544

Structure parameters

• Formula: C15 H24 Cl3 N3 O3 Rh
• Calculated formula: C15 H24 Cl3 N3 O3 Rh
• SMILES: [N](O)([Rh](N(O)=C1CCCC1)(Cl)(Cl)(Cl)[N](=C1CCCC1)O)=C1CCCC1
• Title of publication: Rhodium(III)-mediated oxime‒nitrile coupling giving chelated iminoacylated species †
• Authors of publication: Yu. Kukushkin, Vadim; Ilichev, Igor V.; Wagner, Gabriele; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 17
• Pages of publication: 3047
• a: 11.64 ± 0.006 Å
• b: 8.898 ± 0.005 Å
• c: 19.75 ± 0.08 Å
• α: 90°
• β: 98.03 ± 0.04°
• γ: 90°
• Cell volume: 2026 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No