Information card for entry 4076297

Structure parameters

• Formula: C23 H27 N3 O4 W2
• Calculated formula: C23 H27 N3 O4 W2
• SMILES: [W]123456789([CH2]=[C]1([C]3(=[CH2]2)C(=C(N(CC)CC)C4=O)C)[C](=O)[W]1234%10(N=O)([N]5=[O]1)[cH]1[cH]%10[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R
• Authors of publication: Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 4902
• a: 7.6651 ± 0.0004 Å
• b: 19.0172 ± 0.0011 Å
• c: 16.2974 ± 0.001 Å
• α: 90°
• β: 98.941 ± 0.007°
• γ: 90°
• Cell volume: 2346.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No