Information card for entry 4330521

Structure parameters

• Formula: C34 H26 N2 O7 P2 W
• Calculated formula: C34 H26 N2 O7 P2 W
• SMILES: C1(N(C(=C(N1C)P(=O)(c1ccccc1)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)C)=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids
• Authors of publication: Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10408 - 10416
• a: 11.2946 ± 0.0007 Å
• b: 26.3024 ± 0.0012 Å
• c: 22.2793 ± 0.0009 Å
• α: 90°
• β: 97.591 ± 0.003°
• γ: 90°
• Cell volume: 6560.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No