Information card for entry 7052756

Structure parameters

• Formula: C25 H29 Cl3 N3 O Rh
• Calculated formula: C25 H29 Cl3 N3 O Rh
• SMILES: [Rh]1(=C2N(C=CN2C)C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(Cl)C#[O].ClCCl
• Title of publication: Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst
• Authors of publication: Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2306
• a: 11.1361 ± 0.0008 Å
• b: 14.0517 ± 0.0011 Å
• c: 17.3518 ± 0.0013 Å
• α: 90°
• β: 100.951 ± 0.001°
• γ: 90°
• Cell volume: 2665.8 ± 0.3 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.0262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No