Information card for entry 7101778

Structure parameters

• Formula: C20 H25 I N Rh
• Calculated formula: C20 H25 I N Rh
• SMILES: I[Rh]123(=C4N(C=Cc5c4cccc5)C(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Isoquinolin-1-ylidenes as electronically tuneable ligands.
• Authors of publication: Gómez-Bujedo, Silvia; Alcarazo, Manuel; Pichon, Christophe; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1180 - 1182
• a: 8.6805 ± 0.0007 Å
• b: 14.9418 ± 0.0014 Å
• c: 14.7924 ± 0.0013 Å
• α: 90°
• β: 103.803 ± 0.003°
• γ: 90°
• Cell volume: 1863.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No