Information card for entry 7101779

Structure parameters

• Formula: C21 H27 Cl N O Rh
• Calculated formula: C21 H27 Cl N O Rh
• SMILES: [Rh]123(Cl)(=C4N(C=Cc5c4ccc(OC)c5)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: 11.3168 ± 0.0005 Å
• b: 11.1197 ± 0.0005 Å
• c: 16.5538 ± 0.0007 Å
• α: 90°
• β: 108.178 ± 0.002°
• γ: 90°
• Cell volume: 1979.16 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No