Information card for entry 4064558

Structure parameters

• Formula: C38 H42 Au N2 O2 P
• Calculated formula: C38 H42 Au N2 O2 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1C1OC[C@@H](N=1)C(C)(C)C)C1=N[C@H](CO1)C(C)(C)C
• Title of publication: NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl
• Authors of publication: Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 10
• Pages of publication: 2819
• a: 11.7568 ± 0.0003 Å
• b: 13.7436 ± 0.0004 Å
• c: 13.8327 ± 0.0003 Å
• α: 60.37 ± 0.002°
• β: 66.843 ± 0.001°
• γ: 87.213 ± 0.001°
• Cell volume: 1756.32 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No