Information card for entry 4070690

Structure parameters

• Formula: C41 H57 Cl N3 O Rh
• Calculated formula: C41 H57 Cl N3 O Rh
• SMILES: C1(N(C=C(c2ccccc2)N1[C@@H]1CCCC[C@H]1/N=C/c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)C(C)C)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl
• Title of publication: Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand
• Authors of publication: Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 281
• a: 12.786 ± 0.003 Å
• b: 16.419 ± 0.003 Å
• c: 18.434 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3869.9 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No