Information card for entry 4076674

Structure parameters

• Common name: {(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}
• Chemical name: {(η5-Cp)(NO)(μ-CO)[μ-⋮C-C(CH3)3]W-AuPPh3}
• Formula: C30 H29 Au N O2 P W
• Calculated formula: C30 H29 Au N O2 P W
• SMILES: [Au]12([C]([W]34561(N=O)(C2=O)[cH]1[cH]3[cH]4[cH]5[cH]61)#CC(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: η2-Alkynyl and Vinylidene Transition Metal Complexes. 8.1Synthesis of Bimetallic Tungsten Gold Complexes by Addition of ClAuPPh3to the Acetylide Li[(η5-C5H5)(CO)(NO)W(C⋮C−R)]
• Authors of publication: Ipaktschi, Junes; Munz, Frank
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 977
• a: 10.0955 ± 0.0007 Å
• b: 26.7 ± 0.002 Å
• c: 10.7924 ± 0.0008 Å
• α: 90°
• β: 103.413 ± 0.009°
• γ: 90°
• Cell volume: 2829.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No