Information card for entry 4070691

Structure parameters

• Formula: C73 H96 Ag2 Br2 Fe N6 O2
• Calculated formula: C73 H96 Ag2 Br2 Fe N6 O2
• SMILES: [Ag](Br)=C1N(C=C(c2ccccc2)N1[C@@H]1CCCC[C@H]1[N]1=Cc2cc(cc(c2O[Fe]21[N]([C@H]1[C@@H](CCCC1)N1C(=[Ag]Br)N(C=C1c1ccccc1)C(C)C)=Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)C.c1(ccccc1)C
• 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: 16.8959 ± 0.0014 Å
• b: 18.3946 ± 0.0016 Å
• c: 23.265 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7230.6 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No